National Library of Energy BETA

Sample records for dynamic time expansion

  1. Dynamic time expansion and compression using nonlinear waveguides

    DOE Patents [OSTI]

    Findikoglu, Alp T.; Hahn, Sangkoo F.; Jia, Quanxi

    2004-06-22

    Dynamic time expansion or compression of a small-amplitude input signal generated with an initial scale is performed using a nonlinear waveguide. A nonlinear waveguide having a variable refractive index is connected to a bias voltage source having a bias signal amplitude that is large relative to the input signal to vary the reflective index and concomitant speed of propagation of the nonlinear waveguide and an electrical circuit for applying the small-amplitude signal and the large amplitude bias signal simultaneously to the nonlinear waveguide. The large amplitude bias signal with the input signal alters the speed of propagation of the small-amplitude signal with time in the nonlinear waveguide to expand or contract the initial time scale of the small-amplitude input signal.

  2. Dynamic Time Expansion and Compression Using Nonlinear Waveguides

    DOE Patents [OSTI]

    Findikoglu, Alp T.; Hahn, Sangkoo F.; Jia, Quanxi

    2004-06-22

    Dynamic time expansion or compression of a small amplitude input signal generated with an initial scale is performed using a nonlinear waveguide. A nonlinear waveguide having a variable refractive index is connected to a bias voltage source having a bias signal amplitude that is large relative to the input signal to vary the reflective index and concomitant speed of propagation of the nonlinear waveguide and an electrical circuit for applying the small amplitude signal and the large amplitude bias signal simultaneously to the nonlinear waveguide. The large amplitude bias signal with the input signal alters the speed of propagation of the small-amplitude signal with time in the nonlinear waveguide to expand or contract the initial time scale of the small-amplitude input signal.

  3. Expansion techniques for collisionless stellar dynamical simulations

    SciTech Connect (OSTI)

    Meiron, Yohai; Li, Baile; Holley-Bockelmann, Kelly; Spurzem, Rainer

    2014-09-10

    We present graphics processing unit (GPU) implementations of two fast force calculation methods based on series expansions of the Poisson equation. One method is the self-consistent field (SCF) method, which is a Fourier-like expansion of the density field in some basis set; the other method is the multipole expansion (MEX) method, which is a Taylor-like expansion of the Green's function. MEX, which has been advocated in the past, has not gained as much popularity as SCF. Both are particle-field methods and optimized for collisionless galactic dynamics, but while SCF is a 'pure' expansion, MEX is an expansion in just the angular part; thus, MEX is capable of capturing radial structure easily, while SCF needs a large number of radial terms. We show that despite the expansion bias, these methods are more accurate than direct techniques for the same number of particles. The performance of our GPU code, which we call ETICS, is profiled and compared to a CPU implementation. On the tested GPU hardware, a full force calculation for one million particles took ∼0.1 s (depending on expansion cutoff), making simulations with as many as 10{sup 8} particles fast for a comparatively small number of nodes.

  4. Emission features and expansion dynamics of nanosecond laser ablation plumes at different ambient pressures

    SciTech Connect (OSTI)

    Farid, N.; Harilal, S. S. Hassanein, A.; Ding, H.

    2014-01-21

    The influence of ambient pressure on the spectral emission features and expansion dynamics of a plasma plume generated on a metal target has been investigated. The plasma plumes were generated by irradiating Cu targets using 6?ns, 1064?nm pulses from a Q-switched Nd:YAG laser. The emission and expansion dynamics of the plasma plumes were studied by varying air ambient pressure levels ranging from vacuum to atmospheric pressure. The ambient pressure levels were found to affect both the line intensities and broadening along with the signal to background and signal to noise ratios and the optimum pressure conditions for analytical applications were evaluated. The characteristic plume parameters were estimated using emission spectroscopy means and noticed that the excitation temperature peaked ?300?Torr, while the electron density showed a maximum ?100?Torr. Fast-gated images showed a complex interaction between the plume and background air leading to changes in the plume geometry with pressure as well as time. Surface morphology of irradiated surface showed that the pressure of the ambient gas affects the laser-target coupling significantly.

  5. Reconstruction of dark energy and expansion dynamics using Gaussian processes

    SciTech Connect (OSTI)

    Seikel, Marina; Clarkson, Chris; Smith, Mathew E-mail: chris.clarkson@uct.ac.za

    2012-06-01

    An important issue in cosmology is reconstructing the effective dark energy equation of state directly from observations. With few physically motivated models, future dark energy studies cannot only be based on constraining a dark energy parameter space, as the errors found depend strongly on the parametrisation considered. We present a new non-parametric approach to reconstructing the history of the expansion rate and dark energy using Gaussian Processes, which is a fully Bayesian approach for smoothing data. We present a pedagogical introduction to Gaussian Processes, and discuss how it can be used to robustly differentiate data in a suitable way. Using this method we show that the Dark Energy Survey - Supernova Survey (DES) can accurately recover a slowly evolving equation of state to σ{sub w} = ±0.05 (95% CL) at z = 0 and ±0.25 at z = 0.7, with a minimum error of ±0.025 at the sweet-spot at z ∼ 0.16, provided the other parameters of the model are known. Errors on the expansion history are an order of magnitude smaller, yet make no assumptions about dark energy whatsoever. A code for calculating functions and their first three derivatives using Gaussian processes has been developed and is available for download.

  6. Dynamics of plasma expansion and shockwave formation in femtosecond laser-ablated aluminum plumes in argon gas at atmospheric pressures

    SciTech Connect (OSTI)

    Miloshevsky, Alexander; Harilal, Sivanandan S.; Miloshevsky, Gennady Hassanein, Ahmed

    2014-04-15

    Plasma expansion with shockwave formation during laser ablation of materials in a background gasses is a complex process. The spatial and temporal evolution of pressure, temperature, density, and velocity fields is needed for its complete understanding. We have studied the expansion of femtosecond (fs) laser-ablated aluminum (Al) plumes in Argon (Ar) gas at 0.5 and 1 atmosphere (atm). The expansion of the plume is investigated experimentally using shadowgraphy and fast-gated imaging. The computational fluid dynamics (CFD) modeling is also carried out. The position of the shock front measured by shadowgraphy and fast-gated imaging is then compared to that obtained from the CFD modeling. The results from the three methods are found to be in good agreement, especially during the initial stage of plasma expansion. The computed time- and space-resolved fields of gas-dynamic parameters have provided valuable insights into the dynamics of plasma expansion and shockwave formation in fs-pulse ablated Al plumes in Ar gas at 0.5 and 1 atm. These results are compared to our previous data on nanosecond (ns) laser ablation of Al [S. S. Harilal et al., Phys. Plasmas 19, 083504 (2012)]. It is observed that both fs and ns plumes acquire a nearly spherical shape at the end of expansion in Ar gas at 1 atm. However, due to significantly lower pulse energy of the fs laser (5 mJ) compared to pulse energy of the ns laser (100 mJ) used in our studies, the values of pressure, temperature, mass density, and velocity are found to be smaller in the fs laser plume, and their time evolution occurs much faster on the same time scale. The oscillatory shock waves clearly visible in the ns plume are not observed in the internal region of the fs plume. These experimental and computational results provide a quantitative understanding of plasma expansion and shockwave formation in fs-pulse and ns-pulse laser ablated Al plumes in an ambient gas at atmospheric pressures.

  7. Dynamic Time Expansion and Compression Using Nonlinear Waveguides...

    Office of Scientific and Technical Information (OSTI)

    Country of Publication: United States Language: English Subject: 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; AMPLITUDES; COMPRESSION; REFRACTIVE INDEX; VELOCITY; ...

  8. Characterization of plasma expansion dynamics in a high power diode with a carbon-fiber-aluminum cathode

    SciTech Connect (OSTI)

    Ju, J.-C.; Liu, L.; Cai, D.

    2014-06-09

    Thermal plasma expansion is characterised during the operation of a high power diode with an explosive emission carbon-fiber-aluminum cathode driven by a 250 kV, 150 ns accelerating pulse. It is found that a quasi-stationary state of plasma expansion is obtained during the main part of the accelerating pulse and the whole plasma expansion exhibits an “U”-shape velocity evolution. A theoretical model describing the dynamics of plasma expansion is developed, which indicates that the plasma expansion velocity is determined by equilibrium between the diode current density and plasma thermal electron current density.

  9. Sheath expansion and plasma dynamics in the presence of electrode evaporation: Application to a vacuum circuit breaker

    SciTech Connect (OSTI)

    Sarrailh, P.; Garrigues, L.; Hagelaar, G. J. M.; Boeuf, J. P.; Sandolache, G.; Rowe, S.

    2009-09-01

    During the postarc dielectric recovery phase in a vacuum circuit breaker, a cathode sheath forms and expels the plasma from the electrode gap. The success or failure of current breaking depends on how efficiently the plasma is expelled from the electrode gap. The sheath expansion in the postarc phase can be compared to sheath expansion in plasma immersion ion implantation except that collisions between charged particles and atoms generated by electrode evaporation may become important in a vacuum circuit breaker. In this paper, we show that electrode evaporation plays a significant role in the dynamics of the sheath expansion in this context not only because charged particle transport is no longer collisionless but also because the neutral flow due to evaporation and temperature gradients may push the plasma toward one of the electrodes. Using a hybrid model of the nonequilibrium postarc plasma and cathode sheath coupled with a direct simulation Monte Carlo method to describe collisions between heavy species, we present a parametric study of the sheath and plasma dynamics and of the time needed for the sheath to expel the plasma from the gap for different values of plasma density and electrode temperatures at the beginning of the postarc phase. This work constitutes a preliminary step toward understanding and quantifying the risk of current breaking failure of a vacuum arc.

  10. Dynamics Of A Laser-Induced Plume Self-Similar Expansion

    SciTech Connect (OSTI)

    Bennaceur-Doumaz, D.; Djebli, M.

    2008-09-23

    The dynamics of a laser ablation plume during the first stage of its expansion, just after the termination of the laser pulse is modeled. First, we suppose the laser fluence range low enough to consider a neutral vapor. The expansion of the evaporated material is described by one-component fluid and one-dimensional Euler equations. The vapor is assumed to follow an ideal gas flow. For high energetic ions, the charge separation can be neglected and the hydrodynamics equations can be solved using self-similar formulation. The obtained ordinary differential equations are solved numerically. Secondly, the effect of ionization is investigated when the evaporated gas temperature is sufficiently high. In this case, Saha equation is included in the formulation of the model. We find a self-similar solution for a finite value of the similarity variable which depends on the laser ablation parameters.

  11. Expansion of Facilities on the North Slope of Alaska in Time for the

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

    International Polar Year Expansion of Facilities on the North Slope of Alaska in Time for the International Polar Year Zak, Bernard Sandia National Laboratories Ivey, Mark Sandia National Laboratories Zirzow, Jeffrey Sandia National Laboratories Brower, Walter UIC Science Division ARM/NSA Ivanoff, James NSA Whiteman, Doug NSA/AAO Sassen, Kenneth University of Alaska Fairbanks Truffer-Moudra, Dana University of Alaska Fairbanks Category: Infrastructure & Outreach The International Polar

  12. Maturation of biomass-to-biofuels conversion technology pathways for rapid expansion of biofuels production: A system dynamics perspective

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

    Vimmerstedt, Laura J.; Bush, Brian W.; Hsu, Dave D.; Inman, Daniel; Peterson, Steven O.

    2014-08-12

    The Biomass Scenario Model (BSM) is a system-dynamics simulation model intended to explore the potential for rapid expansion of the biofuels industry. The model is not predictive — it uses scenario assumptions based on various types of data to simulate industry development, emphasizing how incentives and technological learning-by-doing might accelerate industry growth. The BSM simulates major sectors of the biofuels industry, including feedstock production and logistics, conversion, distribution, and end uses, as well as interactions among sectors. The model represents conversion of biomass to biofuels as a set of technology pathways, each of which has allowable feedstocks, capital and operatingmore » costs, allowable products, and other defined characteristics. This study and the BSM address bioenergy modeling analytic needs that were identified in recent literature reviews. Simulations indicate that investments are most effective at expanding biofuels production through learning-by-doing when they are coordinated with respect to timing, pathway, and target sector within the biofuels industry. Effectiveness metrics include timing and magnitude of increased production, incentive cost and cost effectiveness, and avoidance of windfall profits. Investment costs and optimal investment targets have inherent risks and uncertainties, such as the relative value of investment in more-mature versus less mature pathways. These can be explored through scenarios, but cannot be precisely predicted. Dynamic competition, including competition for cellulosic feedstocks and ethanol market shares, intensifies during times of rapid growth. Ethanol production increases rapidly, even up to Renewable Fuel Standards-targeted volumes of biofuel, in simulations that allow higher blending proportions of ethanol in gasoline-fueled vehicles. Published 2014. This document is a U.S. Government work and is in the public domain in the USA. Biofuels, Bioproducts, Biorefining published by John

  13. Maturation of biomass-to-biofuels conversion technology pathways for rapid expansion of biofuels production: A system dynamics perspective

    SciTech Connect (OSTI)

    Vimmerstedt, Laura J.; Bush, Brian W.; Hsu, Dave D.; Inman, Daniel; Peterson, Steven O.

    2014-08-12

    The Biomass Scenario Model (BSM) is a system-dynamics simulation model intended to explore the potential for rapid expansion of the biofuels industry. The model is not predictive — it uses scenario assumptions based on various types of data to simulate industry development, emphasizing how incentives and technological learning-by-doing might accelerate industry growth. The BSM simulates major sectors of the biofuels industry, including feedstock production and logistics, conversion, distribution, and end uses, as well as interactions among sectors. The model represents conversion of biomass to biofuels as a set of technology pathways, each of which has allowable feedstocks, capital and operating costs, allowable products, and other defined characteristics. This study and the BSM address bioenergy modeling analytic needs that were identified in recent literature reviews. Simulations indicate that investments are most effective at expanding biofuels production through learning-by-doing when they are coordinated with respect to timing, pathway, and target sector within the biofuels industry. Effectiveness metrics include timing and magnitude of increased production, incentive cost and cost effectiveness, and avoidance of windfall profits. Investment costs and optimal investment targets have inherent risks and uncertainties, such as the relative value of investment in more-mature versus less mature pathways. These can be explored through scenarios, but cannot be precisely predicted. Dynamic competition, including competition for cellulosic feedstocks and ethanol market shares, intensifies during times of rapid growth. Ethanol production increases rapidly, even up to Renewable Fuel Standards-targeted volumes of biofuel, in simulations that allow higher blending proportions of ethanol in gasoline-fueled vehicles. Published 2014. This document is a U.S. Government work and is in the public domain in the USA. Biofuels, Bioproducts, Biorefining published by John Wiley

  14. TIME-VARYING DYNAMICAL STAR FORMATION RATE

    SciTech Connect (OSTI)

    Lee, Eve J.; Chang, Philip; Murray, Norman

    2015-02-10

    We present numerical evidence of dynamic star formation in which the accreted stellar mass grows superlinearly with time, roughly as t {sup 2}. We perform simulations of star formation in self-gravitating hydrodynamic and magnetohydrodynamic turbulence that is continuously driven. By turning the self-gravity of the gas in the simulations on or off, we demonstrate that self-gravity is the dominant physical effect setting the mass accretion rate at early times before feedback effects take over, contrary to theories of turbulence-regulated star formation. We find that gravitational collapse steepens the density profile around stars, generating the power-law tail on what is otherwise a lognormal density probability distribution function. Furthermore, we find turbulent velocity profiles to flatten inside collapsing regions, altering the size-line width relation. This local flattening reflects enhancements of turbulent velocity on small scales, as verified by changes to the velocity power spectra. Our results indicate that gas self-gravity dynamically alters both density and velocity structures in clouds, giving rise to a time-varying star formation rate. We find that a substantial fraction of the gas that forms stars arrives via low-density flows, as opposed to accreting through high-density filaments.

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

    SciTech Connect (OSTI)

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

    2007-07-15

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

  16. Short-Time Glassy Dynamics in Viscous Protein Solutions with...

    Office of Scientific and Technical Information (OSTI)

    Short-Time Glassy Dynamics in Viscous Protein Solutions with Competing Interactions This content will become publicly available on November 23, 2016 Prev Next Title: ...

  17. Real-Time Dynamics Monitoring System with Synchronized Phasor Measurements

    Energy Science and Technology Software Center (OSTI)

    2005-01-01

    The Real-Time Dynamics Monitoring System is designed to monitor the dynamics within the power grid and assess the system behavior during normal and disturbance conditions. The RTDMS application was built on the Grid-3P technology platform and takes real-time information collected by Synchronized Phasor Measurement Units (PMU5) or other collection devices and transmitted to a central Phasor Data Concentrator (PDC) for monitoring grid dynamics. The data is sampled 30 times per second and is time-synchronized. Thismore » data is processed to create graphical and geographical displays to provide visualization for frequency/frequency response, voltage magnitudes and angles, voltage angle differences across critical paths as well as real and reactive power-flows on a sub-second and second basis. Software allows for monitoring, tracking, historical data archiving and electric system troubleshooting for reliability management.« less

  18. Can the ring polymer molecular dynamics method be interpreted as real time quantum dynamics?

    SciTech Connect (OSTI)

    Jang, Seogjoo; Sinitskiy, Anton V.; Voth, Gregory A.

    2014-04-21

    The ring polymer molecular dynamics (RPMD) method has gained popularity in recent years as a simple approximation for calculating real time quantum correlation functions in condensed media. However, the extent to which RPMD captures real dynamical quantum effects and why it fails under certain situations have not been clearly understood. Addressing this issue has been difficult in the absence of a genuine justification for the RPMD algorithm starting from the quantum Liouville equation. To this end, a new and exact path integral formalism for the calculation of real time quantum correlation functions is presented in this work, which can serve as a rigorous foundation for the analysis of the RPMD method as well as providing an alternative derivation of the well established centroid molecular dynamics method. The new formalism utilizes the cyclic symmetry of the imaginary time path integral in the most general sense and enables the expression of Kubo-transformed quantum time correlation functions as that of physical observables pre-averaged over the imaginary time path. Upon filtering with a centroid constraint function, the formulation results in the centroid dynamics formalism. Upon filtering with the position representation of the imaginary time path integral, we obtain an exact quantum dynamics formalism involving the same variables as the RPMD method. The analysis of the RPMD approximation based on this approach clarifies that an explicit quantum dynamical justification does not exist for the use of the ring polymer harmonic potential term (imaginary time kinetic energy) as implemented in the RPMD method. It is analyzed why this can cause substantial errors in nonlinear correlation functions of harmonic oscillators. Such errors can be significant for general correlation functions of anharmonic systems. We also demonstrate that the short time accuracy of the exact path integral limit of RPMD is of lower order than those for finite discretization of path. The

  19. Capturing Real-Time Power System Dynamics: Opportunities and Challenges

    SciTech Connect (OSTI)

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

    2015-09-01

    The power grid evolves towards a new mix of generation and consumption that introduces new dynamic and stochastic behaviors. These emerging grid behaviors would invalidate the steady-state assumption in today’s state estimation – an essential function for real-time power grid operation. This paper examines this steady-state assumption and identifies the need for estimating dynamic states. Supporting technologies are presented as well as a proposed formulation for estimating dynamic states. Metrics for evaluating methods for solving the dynamic state estimation problem are proposed, with example results to illustrate the use of these metrics. The overall objective of this paper is to provide a basis that more research on this topic can follow.

  20. Real-Time Bioluminescent Tracking of Cellular Population Dynamics

    SciTech Connect (OSTI)

    Close, Dan; Sayler, Gary Steven; Xu, Tingting; Ripp, Steven Anthony

    2014-01-01

    Cellular population dynamics are routinely monitored across many diverse fields for a variety of purposes. In general, these dynamics are assayed either through the direct counting of cellular aliquots followed by extrapolation to the total population size, or through the monitoring of signal intensity from any number of externally stimulated reporter proteins. While both viable methods, here we describe a novel technique that allows for the automated, non-destructive tracking of cellular population dynamics in real-time. This method, which relies on the detection of a continuous bioluminescent signal produced through expression of the bacterial luciferase gene cassette, provides a low cost, low time-intensive means for generating additional data compared to alternative methods.

  1. Electron dynamics in complex environments with real-time time dependent density functional theory in a QM-MM framework

    SciTech Connect (OSTI)

    Morzan, Uriel N.; Ramrez, Francisco F.; Scherlis, Damin A. E-mail: mcgl@qb.ffyb.uba.ar; Lebrero, Mariano C. Gonzlez E-mail: mcgl@qb.ffyb.uba.ar

    2014-04-28

    This article presents a time dependent density functional theory (TDDFT) implementation to propagate the Kohn-Sham equations in real time, including the effects of a molecular environment through a Quantum-Mechanics Molecular-Mechanics (QM-MM) hamiltonian. The code delivers an all-electron description employing Gaussian basis functions, and incorporates the Amber force-field in the QM-MM treatment. The most expensive parts of the computation, comprising the commutators between the hamiltonian and the density matrixrequired to propagate the electron dynamics, and the evaluation of the exchange-correlation energy, were migrated to the CUDA platform to run on graphics processing units, which remarkably accelerates the performance of the code. The method was validated by reproducing linear-response TDDFT results for the absorption spectra of several molecular species. Two different schemes were tested to propagate the quantum dynamics: (i) a leap-frog Verlet algorithm, and (ii) the Magnus expansion to first-order. These two approaches were confronted, to find that the Magnus scheme is more efficient by a factor of six in small molecules. Interestingly, the presence of iron was found to seriously limitate the length of the integration time step, due to the high frequencies associated with the core-electrons. This highlights the importance of pseudopotentials to alleviate the cost of the propagation of the inner states when heavy nuclei are present. Finally, the methodology was applied to investigate the shifts induced by the chemical environment on the most intense UV absorption bands of two model systems of general relevance: the formamide molecule in water solution, and the carboxy-heme group in Flavohemoglobin. In both cases, shifts of several nanometers are observed, consistently with the available experimental data.

  2. Time lagged ordinal partition networks for capturing dynamics of continuous dynamical systems

    SciTech Connect (OSTI)

    McCullough, Michael; Iu, Herbert Ho-Ching; Small, Michael; Stemler, Thomas

    2015-05-15

    We investigate a generalised version of the recently proposed ordinal partition time series to network transformation algorithm. First, we introduce a fixed time lag for the elements of each partition that is selected using techniques from traditional time delay embedding. The resulting partitions define regions in the embedding phase space that are mapped to nodes in the network space. Edges are allocated between nodes based on temporal succession thus creating a Markov chain representation of the time series. We then apply this new transformation algorithm to time series generated by the Rssler system and find that periodic dynamics translate to ring structures whereas chaotic time series translate to band or tube-like structuresthereby indicating that our algorithm generates networks whose structure is sensitive to system dynamics. Furthermore, we demonstrate that simple network measures including the mean out degree and variance of out degrees can track changes in the dynamical behaviour in a manner comparable to the largest Lyapunov exponent. We also apply the same analysis to experimental time series generated by a diode resonator circuit and show that the network size, mean shortest path length, and network diameter are highly sensitive to the interior crisis captured in this particular data set.

  3. Space and time renormalization in phase transition dynamics

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

    Francuz, Anna; Dziarmaga, Jacek; Gardas, Bartłomiej; Zurek, Wojciech H.

    2016-02-18

    Here, when a system is driven across a quantum critical point at a constant rate, its evolution must become nonadiabatic as the relaxation time τ diverges at the critical point. According to the Kibble-Zurek mechanism (KZM), the emerging post-transition excited state is characterized by a finite correlation length ξˆ set at the time tˆ=τˆ when the critical slowing down makes it impossible for the system to relax to the equilibrium defined by changing parameters. This observation naturally suggests a dynamical scaling similar to renormalization familiar from the equilibrium critical phenomena. We provide evidence for such KZM-inspired spatiotemporal scaling by investigatingmore » an exact solution of the transverse field quantum Ising chain in the thermodynamic limit.« less

  4. Time-dependent water dynamics in hydrated uranyl fluoride

    SciTech Connect (OSTI)

    Miskowiec, Andrew J.; Anderson, Brian B.; Herwig, Kenneth W.; Huq, Ashfia; Mamontov, Eugene; Rondinone, Adam; Trowbridge, Lee D.

    2015-09-15

    In this study, uranyl fluoride is a three-layer, hexagonal structure with significant stacking disorder in the c-direction. It supports a range of unsolved ‘thermodynamic’ hydrates with 0–2.5 water molecules per uranium atom, and perhaps more. However, the relationship between water, hydrate crystal structures, and thermodynamic results, collectively representing the chemical pathway through these hydrate structures, has not been sufficiently elucidated. We used high-resolution quasielastic neutron scattering to study the dynamics of water in partially hydrated uranyl fluoride powder over the course of 4 weeks under closed conditions. The spectra are composed of two quasielastic components: one is associated with translational diffusive motion of water that is approximately five to six times slower than bulk water, and the other is a slow (on the order of 2–300 ps), spatially bounded water motion. The translational component represents water diffusing between the weakly bonded layers in the crystal, while the bounded component may represent water trapped in subnanometre ‘pockets’ formed by the space between uranium-centred polymerisation units. Complementary neutron diffraction measurements do not show any significant structural changes, suggesting that a chemical conversion of the material does not occur in the thermodynamically isolated system on this timescale.

  5. Time-dependent water dynamics in hydrated uranyl fluoride

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

    Miskowiec, Andrew J.; Anderson, Brian B.; Herwig, Kenneth W.; Huq, Ashfia; Mamontov, Eugene; Rondinone, Adam; Trowbridge, Lee D.

    2015-09-15

    In this study, uranyl fluoride is a three-layer, hexagonal structure with significant stacking disorder in the c-direction. It supports a range of unsolved ‘thermodynamic’ hydrates with 0–2.5 water molecules per uranium atom, and perhaps more. However, the relationship between water, hydrate crystal structures, and thermodynamic results, collectively representing the chemical pathway through these hydrate structures, has not been sufficiently elucidated. We used high-resolution quasielastic neutron scattering to study the dynamics of water in partially hydrated uranyl fluoride powder over the course of 4 weeks under closed conditions. The spectra are composed of two quasielastic components: one is associated with translationalmore » diffusive motion of water that is approximately five to six times slower than bulk water, and the other is a slow (on the order of 2–300 ps), spatially bounded water motion. The translational component represents water diffusing between the weakly bonded layers in the crystal, while the bounded component may represent water trapped in subnanometre ‘pockets’ formed by the space between uranium-centred polymerisation units. Complementary neutron diffraction measurements do not show any significant structural changes, suggesting that a chemical conversion of the material does not occur in the thermodynamically isolated system on this timescale.« less

  6. Dynamic Simulation over Long Time Periods with 100% Solar Generation.

    SciTech Connect (OSTI)

    Concepcion, Ricky James; Elliott, Ryan Thomas

    2015-12-01

    This project aimed to identify the path forward for dynamic simulation tools to accommodate these needs by characterizing the properties of power systems (with high PV penetration), analyzing how these properties affect dynamic simulation software, and offering solutions for potential problems.

  7. Time, Dynamics and Chaos: Integrating Poincare's 'Non-Integrable Systems'

    DOE R&D Accomplishments [OSTI]

    Prigogine, I.

    1990-10-01

    This report discusses the nature of time. The author attempts to resolve the conflict between the concept of time reversibility in classical and quantum mechanics with the macroscopic world's irreversibility of time. (LSP)

  8. A new time-frequency method to reveal quantum dynamics of atomic...

    Office of Scientific and Technical Information (OSTI)

    hydrogen in intense laser pulses: Synchrosqueezing transform Citation Details In-Document Search Title: A new time-frequency method to reveal quantum dynamics of atomic hydrogen ...

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

    SciTech Connect (OSTI)

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

    2015-04-21

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

  10. Long-time dynamics through parallel trajectory splicing

    SciTech Connect (OSTI)

    Perez, Danny; Cubuk, Ekin D.; Waterland, Amos; Kaxiras, Efthimios; Voter, Arthur F.

    2015-11-24

    Simulating the atomistic evolution of materials over long time scales is a longstanding challenge, especially for complex systems where the distribution of barrier heights is very heterogeneous. Such systems are difficult to investigate using conventional long-time scale techniques, and the fact that they tend to remain trapped in small regions of configuration space for extended periods of time strongly limits the physical insights gained from short simulations. We introduce a novel simulation technique, Parallel Trajectory Splicing (ParSplice), that aims at addressing this problem through the timewise parallelization of long trajectories. The computational efficiency of ParSplice stems from a speculation strategy whereby predictions of the future evolution of the system are leveraged to increase the amount of work that can be concurrently performed at any one time, hence improving the scalability of the method. ParSplice is also able to accurately account for, and potentially reuse, a substantial fraction of the computational work invested in the simulation. We validate the method on a simple Ag surface system and demonstrate substantial increases in efficiency compared to previous methods. As a result, we then demonstrate the power of ParSplice through the study of topology changes in Ag42Cu13 core–shell nanoparticles.

  11. Long-time dynamics through parallel trajectory splicing

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

    Perez, Danny; Cubuk, Ekin D.; Waterland, Amos; Kaxiras, Efthimios; Voter, Arthur F.

    2015-11-24

    Simulating the atomistic evolution of materials over long time scales is a longstanding challenge, especially for complex systems where the distribution of barrier heights is very heterogeneous. Such systems are difficult to investigate using conventional long-time scale techniques, and the fact that they tend to remain trapped in small regions of configuration space for extended periods of time strongly limits the physical insights gained from short simulations. We introduce a novel simulation technique, Parallel Trajectory Splicing (ParSplice), that aims at addressing this problem through the timewise parallelization of long trajectories. The computational efficiency of ParSplice stems from a speculation strategymore » whereby predictions of the future evolution of the system are leveraged to increase the amount of work that can be concurrently performed at any one time, hence improving the scalability of the method. ParSplice is also able to accurately account for, and potentially reuse, a substantial fraction of the computational work invested in the simulation. We validate the method on a simple Ag surface system and demonstrate substantial increases in efficiency compared to previous methods. As a result, we then demonstrate the power of ParSplice through the study of topology changes in Ag42Cu13 core–shell nanoparticles.« less

  12. Non-minimal Kinetic coupling to gravity and accelerated expansion

    SciTech Connect (OSTI)

    Granda, L.N.

    2010-07-01

    We study a scalar field with kinetic term coupled to itself and to the curvature, as a source of dark energy, and analyze the role of this new coupling in the accelerated expansion at large times. In the case of scalar field dominance, the scalar field and potential giving rise to power-law expansion are found in some cases, and a dynamical equation of state is calculated for a given solution of the field equations. A behavior very close to that of the cosmological constant was found.

  13. Modeling fast electron dynamics with real-time time-dependent...

    Office of Scientific and Technical Information (OSTI)

    Lett. 2005, 94, 043002, demonstrating the utility of a real-time approach in capturing charge transfer processes. Authors: Lopata, Kenneth A. ; Govind, Niranjan Publication Date: ...

  14. Characterizing system dynamics with a weighted and directed network constructed from time series data

    SciTech Connect (OSTI)

    Sun, Xiaoran; School of Mathematics and Statistics, The University of Western Australia, Crawley WA 6009 ; Small, Michael; Zhao, Yi; Xue, Xiaoping

    2014-06-15

    In this work, we propose a novel method to transform a time series into a weighted and directed network. For a given time series, we first generate a set of segments via a sliding window, and then use a doubly symbolic scheme to characterize every windowed segment by combining absolute amplitude information with an ordinal pattern characterization. Based on this construction, a network can be directly constructed from the given time series: segments corresponding to different symbol-pairs are mapped to network nodes and the temporal succession between nodes is represented by directed links. With this conversion, dynamics underlying the time series has been encoded into the network structure. We illustrate the potential of our networks with a well-studied dynamical model as a benchmark example. Results show that network measures for characterizing global properties can detect the dynamical transitions in the underlying system. Moreover, we employ a random walk algorithm to sample loops in our networks, and find that time series with different dynamics exhibits distinct cycle structure. That is, the relative prevalence of loops with different lengths can be used to identify the underlying dynamics.

  15. Wide dynamic range neutron flux monitor having fast time response for the Large Helical Device

    SciTech Connect (OSTI)

    Isobe, M. Takeiri, Y.; Ogawa, K.; Miyake, H.; Hayashi, H.; Kobuchi, T.; Nakano, Y.; Watanabe, K.; Uritani, A.; Misawa, T.; Nishitani, T.; Tomitaka, M.; Kumagai, T.; Mashiyama, Y.; Ito, D.; Kono, S.; Yamauchi, M.

    2014-11-15

    A fast time response, wide dynamic range neutron flux monitor has been developed toward the LHD deuterium operation by using leading-edge signal processing technologies providing maximum counting rate up to ∼5 × 10{sup 9} counts/s. Because a maximum total neutron emission rate over 1 × 10{sup 16} n/s is predicted in neutral beam-heated LHD plasmas, fast response and wide dynamic range capabilities of the system are essential. Preliminary tests have demonstrated successful performance as a wide dynamic range monitor along the design.

  16. Dispersion curves from short-time molecular dynamics simulation. 1. Diatomic chain results

    SciTech Connect (OSTI)

    Noid, D.W.; Broocks, B.T.; Gray, S.K.; Marple, S.L.

    1988-06-16

    The multiple signal classification method (MUSIC) for frequency estimation is used to compute the frequency dispersion curves of a diatomic chain from the time-dependent structure factor. In this paper, the authors demonstrate that MUSIC can accurately determine the frequencies from very short time trajectories. MUSIC is also used to show how the frequencies can vary in time, i.e., along a trajectory. The method is ideally suited for analyzing molecular dynamics simulations of large systems.

  17. Ensemble Sampling vs. Time Sampling in Molecular Dynamics Simulations of Thermal Conductivity

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

    Gordiz, Kiarash; Singh, David J.; Henry, Asegun

    2015-01-29

    In this report we compare time sampling and ensemble averaging as two different methods available for phase space sampling. For the comparison, we calculate thermal conductivities of solid argon and silicon structures, using equilibrium molecular dynamics. We introduce two different schemes for the ensemble averaging approach, and show that both can reduce the total simulation time as compared to time averaging. It is also found that velocity rescaling is an efficient mechanism for phase space exploration. Although our methodology is tested using classical molecular dynamics, the ensemble generation approaches may find their greatest utility in computationally expensive simulations such asmore » first principles molecular dynamics. For such simulations, where each time step is costly, time sampling can require long simulation times because each time step must be evaluated sequentially and therefore phase space averaging is achieved through sequential operations. On the other hand, with ensemble averaging, phase space sampling can be achieved through parallel operations, since each ensemble is independent. For this reason, particularly when using massively parallel architectures, ensemble sampling can result in much shorter simulation times and exhibits similar overall computational effort.« less

  18. Advanced time integration algorithms for dislocation dynamics simulations of work hardening

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

    Sills, Ryan B.; Aghaei, Amin; Cai, Wei

    2016-04-25

    Efficient time integration is a necessity for dislocation dynamics simulations of work hardening to achieve experimentally relevant strains. In this work, an efficient time integration scheme using a high order explicit method with time step subcycling and a newly-developed collision detection algorithm are evaluated. First, time integrator performance is examined for an annihilating Frank–Read source, showing the effects of dislocation line collision. The integrator with subcycling is found to significantly out-perform other integration schemes. The performance of the time integration and collision detection algorithms is then tested in a work hardening simulation. The new algorithms show a 100-fold speed-up relativemore » to traditional schemes. As a result, subcycling is shown to improve efficiency significantly while maintaining an accurate solution, and the new collision algorithm allows an arbitrarily large time step size without missing collisions.« less

  19. Experimental nonlinear dynamical studies in cesium magneto-optical trap using time-series analysis

    SciTech Connect (OSTI)

    Anwar, M. Islam, R.; Faisal, M.; Sikandar, M.; Ahmed, M.

    2015-03-30

    A magneto-optical trap of neutral atoms is essentially a dissipative quantum system. The fast thermal atoms continuously dissipate their energy to the environment via spontaneous emissions during the cooling. The atoms are, therefore, strongly coupled with the vacuum reservoir and the laser field. The vacuum fluctuations as well as the field fluctuations are imparted to the atoms as random photon recoils. Consequently, the external and internal dynamics of atoms becomes stochastic. In this paper, we have investigated the stochastic dynamics of the atoms in a magneto-optical trap during the loading process. The time series analysis of the fluorescence signal shows that the dynamics of the atoms evolves, like all dissipative systems, from deterministic to the chaotic regime. The subsequent disappearance and revival of chaos was attributed to chaos synchronization between spatially different atoms in the magneto-optical trap.

  20. Chemical dynamics in the gas phase: Time-dependent quantum mechanics of chemical reactions

    SciTech Connect (OSTI)

    Gray, S.K.

    1993-12-01

    A major goal of this research is to obtain an understanding of the molecular reaction dynamics of three and four atom chemical reactions using numerically accurate quantum dynamics. This work involves: (i) the development and/or improvement of accurate quantum mechanical methods for the calculation and analysis of the properties of chemical reactions (e.g., rate constants and product distributions), and (ii) the determination of accurate dynamical results for selected chemical systems, which allow one to compare directly with experiment, determine the reliability of the underlying potential energy surfaces, and test the validity of approximate theories. This research emphasizes the use of recently developed time-dependent quantum mechanical methods, i.e. wave packet methods.

  1. Dynamics of spintronic materials: Exploration in the time and frequency domain

    SciTech Connect (OSTI)

    Zabel, Hartmut

    2014-12-14

    X-ray and neutron reflectivity are mature experimental techniques for the exploration of film thicknesses and interface roughnesses on the nanoscale. Combining with photon and neutron polarization, these methods can be carried forward to the analysis of magnetic thin films and magnetic domain structures. New opportunities open up when these methods are used either in the time or in the frequency domain. Then dynamical processes can be studied such as domain oscillations, domain propagation, precession of spins, and damping effects. Two methods are discussed which have been developed recently: polarized neutron reflectivity from magnetic films in an alternating magnetic field and time resolved resonant magnetic x-ray reflectivity of the free precessional dynamics in films and multilayers.

  2. Holographic entropy and real-time dynamics of quarkonium dissociation in non-Abelian plasma

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

    Iatrakis, Ioannis; Kharzeev, Dmitri E.

    2016-04-26

    The peak of the heavy quark pair entropy at the deconfinement transition, observed in lattice QCD, suggests that the transition is effectively driven by the increase of the entropy of bound states. The growth of the entropy with the interquark distance leads to the emergent entropic force that induces dissociation of quarkonium states. Since the quark-gluon plasma around the transition point is a strongly coupled system, we use the gauge-gravity duality to study the entropy of heavy quarkonium and the real-time dynamics of its dissociation. In particular, we employ the improved holographic QCD model as a dual description of largemore » Nc Yang-Mills theory. Studying the dynamics of the fundamental string between the quarks placed on the boundary, we find that the entropy peaks at the transition point. We also study the real-time dynamics of the system by considering the holographic string falling in the black hole horizon where it equilibrates. As a result, in the vicinity of the deconfinement transition, the dissociation time is found to be less than a fermi, suggesting that the entropic destruction is the dominant dissociation mechanism in this temperature region.« less

  3. The Explosive Spherical Cavity Expansion for Characterization of SiC-N Ceramic Dynamic Behavior and Post Shock Damage Using RUS Method

    SciTech Connect (OSTI)

    Gefken, Paul; Curran, Donald; Nesterenko, Vitali F.; Cai, Jing

    2006-07-28

    Two spherical cavity expansion experiments were performed with SiC-N to provide high-strain rate data for developing ceramic armor penetration models. Here, an explosive charge is detonated within a cavity machined in the ceramic, generating a pulse that moves radially outward. The particle velocity at multiple radial locations from the charge, including at the charge radii, was measured and the fractured ceramic was recovered for posttest evaluation. From the particle velocity histories we derived displacement, radial strain and circumferential strain histories. In the recovered samples we observed the regions where comminution, radial cracking and circumferential cracking occurred. The elastic properties of initial undamaged SiC-N and shocked damaged material were measured using a resonant ultrasound spectroscopy (RUS). Comparison of these measurements illustrated the posttest condition of the SiC-N material. Hot isostatic pressing of ''as is'' SiC-N material demonstrated a significant increase in the quality factor. The same procedure applied to SiC-N damaged in spherical cavity experiments resulted in a significant recovery of the elastic properties.

  4. Weakly relativistic plasma expansion

    SciTech Connect (OSTI)

    Fermous, Rachid Djebli, Mourad

    2015-04-15

    Plasma expansion is an important physical process that takes place in laser interactions with solid targets. Within a self-similar model for the hydrodynamical multi-fluid equations, we investigated the expansion of both dense and under-dense plasmas. The weakly relativistic electrons are produced by ultra-intense laser pulses, while ions are supposed to be in a non-relativistic regime. Numerical investigations have shown that relativistic effects are important for under-dense plasma and are characterized by a finite ion front velocity. Dense plasma expansion is found to be governed mainly by quantum contributions in the fluid equations that originate from the degenerate pressure in addition to the nonlinear contributions from exchange and correlation potentials. The quantum degeneracy parameter profile provides clues to set the limit between under-dense and dense relativistic plasma expansions at a given density and temperature.

  5. Nonlinear Raman Techniques in Femtosecond Time Resolved Spectroscopy for the Analysis and Control of Molecular Dynamics

    SciTech Connect (OSTI)

    Materny, Arnulf; Konradi, Jakow; Namboodiri, Vinu; Namboodiri, Mahesh; Scaria, Abraham

    2008-11-14

    The use of four-wave mixing techniques in femtosecond time-resolved spectroscopy has considerable advantages. Due to the many degrees of freedom offered e.g. by coherent anti-Stokes Raman scattering (CARS), the dynamics even of complex systems can be analyzed in detail. Using pulse shaping techniques in combination with a self-learning loop approach, molecular mode excitation can be controlled very efficiently in a multi-photon excitation process. Results obtained from the optimal control of CARS on {beta}-carotene are discussed.

  6. FRW Like Cosmological Model and Accelerated Expansion of the Universe from Non Commutative Seiberg-Witten Geometry

    SciTech Connect (OSTI)

    Aissaoui, H.; Bouhalouf, H.; Mebarki, N.

    2010-10-31

    An FRW like cosmological model in the non commutative Seiberg-Witten space-time is proposed. The pure NCG dynamical apparent horizon and Hawking temperature are obtained and explicit expressions of the scale factor, Hubble and deceleration parameters are derived. The accelerated expansion of the universe scenario is also discussed.

  7. Dynamic response of materials on subnanosecond time scales, and beryllium properties for inertial confinement fusion

    SciTech Connect (OSTI)

    Swift, Damian C.; Tierney, Thomas E.; Luo Shengnian; Paisley, Dennis L.; Kyrala, George A.; Hauer, Allan; Greenfield, Scott R.; Koskelo, Aaron C.; McClellan, Kenneth J.; Lorenzana, Hector E.; Kalantar, Daniel; Remington, Bruce A.; Peralta, Pedro; Loomis, Eric

    2005-05-15

    During the past few years, substantial progress has been made in developing experimental techniques capable of investigating the response of materials to dynamic loading on nanosecond time scales and shorter, with multiple diagnostics probing different aspects of the behavior. These relatively short time scales are scientifically interesting because plastic flow and phase changes in common materials with simple crystal structures--such as iron--may be suppressed, allowing unusual states to be induced and the dynamics of plasticity and polymorphism to be explored. Loading by laser-induced ablation can be particularly convenient: this technique has been used to impart shocks and isentropic compression waves from {approx}1 to 200 GPa in a range of elements and alloys, with diagnostics including line imaging surface velocimetry, surface displacement (framed area imaging), x-ray diffraction (single crystal and polycrystal), ellipsometry, and Raman spectroscopy. A major motivation has been the study of the properties of beryllium under conditions relevant to the fuel capsule in inertial confinement fusion: magnetically driven shock and isentropic compression shots at Z were used to investigate the equation of state and shock melting characteristics, complemented by laser ablation experiments to investigate plasticity and heterogeneous response from the polycrystalline microstructure. These results will help to constrain acceptable tolerances on manufacturing, and possible loading paths, for inertial fusion ignition experiments at the National Ignition Facility. Laser-based techniques are being developed further for future material dynamics experiments, where it should be possible to obtain high quality data on strength and phase changes up to at least 1 TPa.

  8. Massively-parallel electron dynamics calculations in real-time and real-space: Toward applications to nanostructures of more than ten-nanometers in size

    SciTech Connect (OSTI)

    Noda, Masashi; Ishimura, Kazuya; Nobusada, Katsuyuki; Yabana, Kazuhiro; Boku, Taisuke

    2014-05-15

    A highly efficient program of massively parallel calculations for electron dynamics has been developed in an effort to apply the method to optical response of nanostructures of more than ten-nanometers in size. The approach is based on time-dependent density functional theory calculations in real-time and real-space. The computational code is implemented by using simple algorithms with a finite-difference method in space derivative and Taylor expansion in time-propagation. Since the computational program is free from the algorithms of eigenvalue problems and fast-Fourier-transformation, which are usually implemented in conventional quantum chemistry or band structure calculations, it is highly suitable for massively parallel calculations. Benchmark calculations using the K computer at RIKEN demonstrate that the parallel efficiency of the program is very high on more than 60 000 CPU cores. The method is applied to optical response of arrays of C{sub 60} orderly nanostructures of more than 10 nm in size. The computed absorption spectrum is in good agreement with the experimental observation.

  9. Optimal Electric Utility Expansion

    Energy Science and Technology Software Center (OSTI)

    1989-10-10

    SAGE-WASP is designed to find the optimal generation expansion policy for an electrical utility system. New units can be automatically selected from a user-supplied list of expansion candidates which can include hydroelectric and pumped storage projects. The existing system is modeled. The calculational procedure takes into account user restrictions to limit generation configurations to an area of economic interest. The optimization program reports whether the restrictions acted as a constraint on the solution. All expansionmore » configurations considered are required to pass a user supplied reliability criterion. The discount rate and escalation rate are treated separately for each expansion candidate and for each fuel type. All expenditures are separated into local and foreign accounts, and a weighting factor can be applied to foreign expenditures.« less

  10. Dynamic driving cycle analyses using electric vehicle time-series data

    SciTech Connect (OSTI)

    Staackmann, M.; Liaw, B.Y.; Yun, D.Y.Y.

    1997-12-31

    Dynamic analyses of time-series data collected from real-world driving-cycle field testing of electric vehicles is providing evidence that certain driving-cycle conditions can significantly impact vehicle performance. In addition, vehicle performance results derived from time-series data show relationships that help to characterize driving cycles. Such findings confirm the advantages of time-series data over statistical data, in allowing correlation of vehicle performance characteristics with driving cycles. The driving-cycle vehicle performance analyses were performed using time-series data collected at the Electric and Hybrid Vehicle (EHV) National Data Center (NDC). A total of 71 EHVs are registered in the NDC and over 4,000 trips files have already been uploaded into the NDC database, as of may 1997. Numerous EHVs on multiple trips have been analyzed over the past two years. This paper presents the results of time-series data collected and analyzed for two specific vehicles of the overall program, to illustrate the value of time-series data. The data were analyzed to establish criteria for defining different driving cycles for the day-to-day trips made by vehicles in the program. The authors examined specific parameters such as average vehicle speed, number of stops during a trip, average distance traveled between stops, vehicle acceleration, and average DC kWh consumed per kilometer. Correlation among various parameters is presented in relationship to three driving cycles (highway, suburban, and urban), along with suggested ranges of parametric values defining the regimes of the different cycles.

  11. High thermal expansion, sealing glass

    DOE Patents [OSTI]

    Brow, Richard K.; Kovacic, Larry

    1993-01-01

    A glass composition for hermetically sealing to high thermal expansion materials such as aluminum alloys, stainless steels, copper, and copper/beryllium alloys, which includes between about 10 and about 25 mole percent Na.sub.2 O, between about 10 and about 25 mole percent K.sub.2 O, between about 5 and about 15 mole percent Al.sub.2 O.sub.3, between about 35 and about 50 mole percent P.sub.2 O.sub.5 and between about 5 and about 15 mole percent of one of PbO, BaO, and mixtures thereof. The composition, which may also include between 0 and about 5 mole percent Fe.sub.2 O.sub.3 and between 0 and about 10 mole percent B.sub.2 O.sub.3, has a thermal expansion coefficient in a range of between about 160 and 210.times.10-7/.degree.C. and a dissolution rate in a range of between about 2.times.10.sup.- 7 and 2.times.10.sup.-9 g/cm.sup.2 -min. This composition is suitable to hermetically seal to metallic electrical components which will be subjected to humid environments over an extended period of time.

  12. High thermal expansion, sealing glass

    DOE Patents [OSTI]

    Brow, R.K.; Kovacic, L.

    1993-11-16

    A glass composition is described for hermetically sealing to high thermal expansion materials such as aluminum alloys, stainless steels, copper, and copper/beryllium alloys, which includes between about 10 and about 25 mole percent Na[sub 2]O, between about 10 and about 25 mole percent K[sub 2]O, between about 5 and about 15 mole percent Al[sub 2]O[sub 3], between about 35 and about 50 mole percent P[sub 2]O[sub 5] and between about 5 and about 15 mole percent of one of PbO, BaO, and mixtures thereof. The composition, which may also include between 0 and about 5 mole percent Fe[sub 2]O[sub 3] and between 0 and about 10 mole percent B[sub 2]O[sub 3], has a thermal expansion coefficient in a range of between about 160 and 210[times]10[sup [minus]7]/C and a dissolution rate in a range of between about 2[times]10[sup [minus]7] and 2[times]10[sup [minus]9]g/cm[sup 2]-min. This composition is suitable to hermetically seal to metallic electrical components which will be subjected to humid environments over an extended period of time.

  13. Time-resolved x-ray diffraction techniques for bulk polycrystalline materials under dynamic loading

    SciTech Connect (OSTI)

    Lambert, P. K.; Hustedt, C. J.; Zhao, M.; Ananiadis, A. G.; Hufnagel, T. C.; Vecchio, K. S.; Huskins, E. L.; Casem, D. T.; Gruner, S. M.; Tate, M. W.; Philipp, H. T.; Purohit, P.; Weiss, J. T.; Woll, A. R.; Kannan, V.; Ramesh, K. T.; Kenesei, P.; Okasinski, J. S.; Almer, J.

    2014-09-15

    We have developed two techniques for time-resolved x-ray diffraction from bulk polycrystalline materials during dynamic loading. In the first technique, we synchronize a fast detector with loading of samples at strain rates of ∼10{sup 3}–10{sup 4} s{sup −1} in a compression Kolsky bar (split Hopkinson pressure bar) apparatus to obtain in situ diffraction patterns with exposures as short as 70 ns. This approach employs moderate x-ray energies (10–20 keV) and is well suited to weakly absorbing materials such as magnesium alloys. The second technique is useful for more strongly absorbing materials, and uses high-energy x-rays (86 keV) and a fast shutter synchronized with the Kolsky bar to produce short (∼40 μs) pulses timed with the arrival of the strain pulse at the specimen, recording the diffraction pattern on a large-format amorphous silicon detector. For both techniques we present sample data demonstrating the ability of these techniques to characterize elastic strains and polycrystalline texture as a function of time during high-rate deformation.

  14. Short-Time Glassy Dynamics in Viscous Protein Solutions with Competing Interactions

    SciTech Connect (OSTI)

    Godfrin, P. Douglas; Hudson, Steven; Hong, Kunlun; Porcar, Lionel; Falus, Peter; Wagner, Norman; Liu, Yun

    2015-11-24

    Although there have been numerous investigations of the glass transition for colloidal dispersions with only a short-ranged attraction, less is understood for systems interacting with a long-ranged repulsion in addition to this attraction, which is ubiquitous in aqueous protein solutions at low ionic strength. Highly puri ed concentrated lysozyme solutions are used as a model system and investigated over a large range of protein concentrations at very low ionic strength. Newtonian liquid behavior is observed at all concentrations, even up to 480 mg/mL, where the zero shear viscosity increases by more than three orders of magnitude with increasing concentration. Remarkably, despite this macroscopic liquid-like behavior, the measurements of the dynamics in the short-time limit shows features typical of glassy colloidal systems. Investigation of the inter-protein structure indicates that the reduced short-time mobility of the protein is caused by localized regions of high density within a heterogeneous density distribution. This structural heterogeneity occurs on intermediate range length scale, driven by the competing potential features, and is distinct from commonly studied colloidal gel systems in which a heterogeneous density distribution tends to extend to the whole system. The presence of long-ranged repulsion also allows for more mobility over large length and long time scales resulting in the macroscopic relaxation of the structure. The experimental results provide evidence for the need to explicitly include intermediate range order in theories for the macroscopic properties of protein solutions interacting via competing potential features.

  15. Time-resolved terahertz dynamics in thin films of the topological insulator Bi2Se3

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

    Valdés Aguilar, R.; Qi, J.; Brahlek, M.; Bansal, N.; Azad, A.; Bowlan, J.; Oh, S.; Taylor, A. J.; Prasankumar, R. P.; Yarotski, D. A.

    2015-01-07

    We use optical pump–THz probe spectroscopy at low temperatures to study the hot carrier response in thin Bi2Se3 films of several thicknesses, allowing us to separate the bulk from the surface transient response. We find that for thinner films the photoexcitation changes the transport scattering rate and reduces the THz conductivity, which relaxes within 10 picoseconds (ps). For thicker films, the conductivity increases upon photoexcitation and scales with increasing both the film thickness and the optical fluence, with a decay time of approximately 5 ps as well as a much higher scattering rate. Furthermore, these different dynamics are attributed tomore » the surface and bulk electrons, respectively, and demonstrate that long-lived mobile surface photo-carriers can be accessed independently below certain film thicknesses for possible optoelectronic applications.« less

  16. Characterization of beam dynamics in the APS injector rings using time-resolved imaging techniques

    SciTech Connect (OSTI)

    Yang, B.X.; Lumpkin, A.H.; Borland, M.

    1997-06-01

    Images taken with streak cameras and gated intensified cameras with both time (longitudinal) and spatial (transverse) resolution reveal a wealth of information about circular accelerators. The authors illustrate a novel technique by a sequence of dual-sweep streak camera images taken at a high dispersion location in the booster synchrotron, where the horizontal coordinate is strongly correlated with the particle energy and the {open_quotes}top-view{close_quotes} of the beam gives a good approximation to the particle density distribution in the longitudinal phase space. A sequence of top-view images taken fight after injection clearly shows the beam dynamics in the phase space. We report another example from the positron accumulator ring for the characterization of its beam compression bunching with the 12th harmonic rf.

  17. Solid waste bin detection and classification using Dynamic Time Warping and MLP classifier

    SciTech Connect (OSTI)

    Islam, Md. Shafiqul; Hannan, M.A.; Basri, Hassan; Hussain, Aini; Arebey, Maher

    2014-02-15

    Highlights: • Solid waste bin level detection using Dynamic Time Warping (DTW). • Gabor wavelet filter is used to extract the solid waste image features. • Multi-Layer Perceptron classifier network is used for bin image classification. • The classification performance evaluated by ROC curve analysis. - Abstract: The increasing requirement for Solid Waste Management (SWM) has become a significant challenge for municipal authorities. A number of integrated systems and methods have introduced to overcome this challenge. Many researchers have aimed to develop an ideal SWM system, including approaches involving software-based routing, Geographic Information Systems (GIS), Radio-frequency Identification (RFID), or sensor intelligent bins. Image processing solutions for the Solid Waste (SW) collection have also been developed; however, during capturing the bin image, it is challenging to position the camera for getting a bin area centralized image. As yet, there is no ideal system which can correctly estimate the amount of SW. This paper briefly discusses an efficient image processing solution to overcome these problems. Dynamic Time Warping (DTW) was used for detecting and cropping the bin area and Gabor wavelet (GW) was introduced for feature extraction of the waste bin image. Image features were used to train the classifier. A Multi-Layer Perceptron (MLP) classifier was used to classify the waste bin level and estimate the amount of waste inside the bin. The area under the Receiver Operating Characteristic (ROC) curves was used to statistically evaluate classifier performance. The results of this developed system are comparable to previous image processing based system. The system demonstration using DTW with GW for feature extraction and an MLP classifier led to promising results with respect to the accuracy of waste level estimation (98.50%). The application can be used to optimize the routing of waste collection based on the estimated bin level.

  18. Static gas expansion cooler

    DOE Patents [OSTI]

    Guzek, J.C.; Lujan, R.A.

    1984-01-01

    Disclosed is a cooler for television cameras and other temperature sensitive equipment. The cooler uses compressed gas ehich is accelerated to a high velocity by passing it through flow passageways having nozzle portions which expand the gas. This acceleration and expansion causes the gas to undergo a decrease in temperature thereby cooling the cooler body and adjacent temperature sensitive equipment.

  19. EIS-0498: Magnolia LNG and Lake Charles Expansion Projects; Calcasieu...

    Energy Savers [EERE]

    with the public interest. EIS-0498: Magnolia LNG and Lake Charles Expansion Projects Public Comment Opportunities No public comment opportunities available at this time....

  20. Anomalous lattice expansion in yttria stabilized zirconia under simultaneous applied electric and thermal fields: A time-resolved in situ energy dispersive x-ray diffractometry study with an ultrahigh energy synchrotron probe

    SciTech Connect (OSTI)

    Akdogan, E. K.; Savkl Latin-Small-Letter-Dotless-I y Latin-Small-Letter-Dotless-I ld Latin-Small-Letter-Dotless-I z, I.; Bicer, H.; Paxton, W.; Toksoy, F.; Tsakalakos, T.; Zhong, Z.

    2013-06-21

    Nonisothermal densification in 8% yttria doped zirconia (8YSZ) particulate matter of 250 nm median particle size was studied under 215 V/cm dc electric field and 9 Degree-Sign C/min heating rate, using time-resolved in-situ high temperature energy dispersive x-ray diffractometry with a polychromatic 200 keV synchrotron probe. Densification occurred in the 876-905 Degree-Sign C range, which resulted in 97% of the theoretical density. No local melting at particle-particle contacts was observed in scanning electron micrographs, implying densification was due to solid state mass transport processes. The maximum current draw at 905 Degree-Sign C was 3 A, corresponding to instantaneous absorbed power density of 570 W/cm{sup 3}. Densification of 8YSZ was accompanied by anomalous elastic volume expansions of the unit cell by 0.45% and 2.80% at 847 Degree-Sign C and 905 Degree-Sign C, respectively. The anomalous expansion at 905 Degree-Sign C at which maximum densification was observed is characterized by three stages: (I) linear stage, (II) anomalous stage, and (III) anelastic recovery stage. The densification in stage I (184 s) and II (15 s) was completed in 199 s, while anelastic relaxation in stage III lasted 130 s. The residual strains ({epsilon}) at room temperature, as computed from tetragonal (112) and (211) reflections, are {epsilon}{sub (112)} = 0.05% and {epsilon}{sub (211)} = 0.13%, respectively. Time dependence of (211) and (112) peak widths ({beta}) show a decrease with both exhibiting a singularity at 905 Degree-Sign C. An anisotropy in (112) and (211) peak widths of {l_brace} {beta}{sub (112)}/{beta}{sub (211)}{r_brace} = (3:1) magnitude was observed. No phase transformation occurred at 905 Degree-Sign C as verified from diffraction spectra on both sides of the singularity, i.e., the unit cell symmetry remains tetragonal. We attribute the reduction in densification temperature and time to ultrafast ambipolar diffusion of species arising from the

  1. Femtosecond laser ablation dynamics of fused silica extracted from oscillation of time-resolved reflectivity

    SciTech Connect (OSTI)

    Kumada, Takayuki Akagi, Hiroshi; Itakura, Ryuji; Otobe, Tomohito; Yokoyama, Atsushi

    2014-03-14

    Femtosecond laser ablation dynamics of fused silica is examined via time-resolved reflectivity measurements. After optical breakdown was caused by irradiation of a pump pulse with fluence F{sub pump}?=?3.314.9?J/cm{sup 2}, the reflectivity oscillated with a period of 63??2 ps for a wavelength ??=?795?nm. The period was reduced by half for ??=?398?nm. We ascribe the oscillation to the interference between the probe pulses reflected from the front and rear surfaces of the photo-excited molten fused silica layer. The time-resolved reflectivity agrees closely with a model comprising a photo-excited layer which expands due to the formation of voids, and then separates into two parts, one of which is left on the sample surface and the other separated as a molten thin layer from the surface by the spallation mechanism. Such oscillations were not observed in the reflectivity of soda-lime glass. Whether the reflectivity oscillates or not probably depends on the layer viscosity while in a molten state. Since viscosity of the molten fused silica is several orders of magnitude higher than that of the soda-lime glass at the same temperature, fused silica forms a molten thin layer that reflects the probe pulse, whereas the soda-lime glass is fragmented into clusters.

  2. Short-Time Glassy Dynamics in Viscous Protein Solutions with Competing Interactions

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

    Godfrin, P. Douglas; Hudson, Steven; Hong, Kunlun; Porcar, Lionel; Falus, Peter; Wagner, Norman; Liu, Yun

    2015-11-24

    Although there have been numerous investigations of the glass transition for colloidal dispersions with only a short-ranged attraction, less is understood for systems interacting with a long-ranged repulsion in addition to this attraction, which is ubiquitous in aqueous protein solutions at low ionic strength. Highly puri ed concentrated lysozyme solutions are used as a model system and investigated over a large range of protein concentrations at very low ionic strength. Newtonian liquid behavior is observed at all concentrations, even up to 480 mg/mL, where the zero shear viscosity increases by more than three orders of magnitude with increasing concentration. Remarkably,more » despite this macroscopic liquid-like behavior, the measurements of the dynamics in the short-time limit shows features typical of glassy colloidal systems. Investigation of the inter-protein structure indicates that the reduced short-time mobility of the protein is caused by localized regions of high density within a heterogeneous density distribution. This structural heterogeneity occurs on intermediate range length scale, driven by the competing potential features, and is distinct from commonly studied colloidal gel systems in which a heterogeneous density distribution tends to extend to the whole system. The presence of long-ranged repulsion also allows for more mobility over large length and long time scales resulting in the macroscopic relaxation of the structure. The experimental results provide evidence for the need to explicitly include intermediate range order in theories for the macroscopic properties of protein solutions interacting via competing potential features.« less

  3. Microscopic observation of carrier-transport dynamics in quantum-structure solar cells using a time-of-flight technique

    SciTech Connect (OSTI)

    Toprasertpong, Kasidit; Fujii, Hiromasa; Sugiyama, Masakazu; Nakano, Yoshiaki; Kasamatsu, Naofumi; Kada, Tomoyuki; Asahi, Shigeo; Kita, Takashi; Wang, Yunpeng; Watanabe, Kentaroh

    2015-07-27

    In this study, we propose a carrier time-of-flight technique to evaluate the carrier transport time across a quantum structure in an active region of solar cells. By observing the time-resolved photoluminescence signal with a quantum-well probe inserted under the quantum structure at forward bias, the carrier transport time can be efficiently determined at room temperature. The averaged drift velocity shows linear dependence on the internal field, allowing us to estimate the quantum structure as a quasi-bulk material with low effective mobility containing the information of carrier dynamics. We show that this direct and real-time observation is more sensitive to carrier transport than other conventional techniques, providing better insights into microscopic carrier transport dynamics to overcome a device design difficulty.

  4. Load regulating expansion fixture

    DOE Patents [OSTI]

    Wagner, L.M.; Strum, M.J.

    1998-12-15

    A free standing self contained device for bonding ultra thin metallic films, such as 0.001 inch beryllium foils is disclosed. The device will regulate to a predetermined load for solid state bonding when heated to a bonding temperature. The device includes a load regulating feature, whereby the expansion stresses generated for bonding are regulated and self adjusting. The load regulator comprises a pair of friction isolators with a plurality of annealed copper members located therebetween. The device, with the load regulator, will adjust to and maintain a stress level needed to successfully and economically complete a leak tight bond without damaging thin foils or other delicate components. 1 fig.

  5. Load regulating expansion fixture

    DOE Patents [OSTI]

    Wagner, Lawrence M.; Strum, Michael J.

    1998-01-01

    A free standing self contained device for bonding ultra thin metallic films, such as 0.001 inch beryllium foils. The device will regulate to a predetermined load for solid state bonding when heated to a bonding temperature. The device includes a load regulating feature, whereby the expansion stresses generated for bonding are regulated and self adjusting. The load regulator comprises a pair of friction isolators with a plurality of annealed copper members located therebetween. The device, with the load regulator, will adjust to and maintain a stress level needed to successfully and economically complete a leak tight bond without damaging thin foils or other delicate components.

  6. Dynamic keyhole: A novel method to improve MR images in the presence of respiratory motion for real-time MRI

    SciTech Connect (OSTI)

    Lee, Danny; Pollock, Sean; Whelan, Brendan; Keall, Paul; Kim, Taeho

    2014-07-15

    Purpose: In this work, the authors present a novel magnetic resonance imaging reconstruction method to improve the quality of MR images in the presence of respiratory motion for real-time thoracic image-guided radiotherapy. Methods: This new reconstruction method is called dynamic keyhole and utilizes a library of previously acquired, peripheral k-space datasets from the same (or similar) respiratory state in conjunction with central k-space datasets acquired in real-time. Internal or external respiratory signals are utilized to sort, match, and combine the two separate peripheral and central k-space datasets with respect to respiratory displacement, thereby reducing acquisition time and improving image quality without respiratory-related artifacts. In this study, the dynamic keyhole, conventional keyhole, and zero-filling methods were compared to full k-space acquisition (ground truth) for 60 coronal datasets acquired from 15 healthy human subjects. Results: For the same image-quality difference from the ground-truth image, the dynamic keyhole method reused 79% of the prior peripheral phase-encoding lines, while the conventional keyhole reused 73% and zero-filling 63% (p-value < 0.0001), corresponding to faster acquisition speed of dynamic keyhole for real-time imaging applications. Conclusions: This study demonstrates that the dynamic keyhole method is a promising technique for clinical applications such as image-guided radiotherapy requiring real-time MR monitoring of the thoracic region. Based on the results from this study, the dynamic keyhole method could increase the temporal resolution by a factor of five compared with full k-space methods.

  7. Stateline Expansion Wind Farm | Open Energy Information

    Open Energy Info (EERE)

    Stateline Expansion Wind Farm Jump to: navigation, search Name Stateline Expansion Wind Farm Facility Stateline Expansion Sector Wind energy Facility Type Commercial Scale Wind...

  8. Time-domain dynamic opto-rheology study of polymer films using step-scan FTIR time-resolved spectroscopy (S{sup 2}FTIR TRS)

    SciTech Connect (OSTI)

    Wang, H.; Palmer, R.A.; Manning, C.J.; Schoonover, J.R.

    1998-07-01

    Step-scan Fourier transform infrared spectroscopy in conjunction with impulse stress on polymer films has been used to monitor dynamic rheological responses in real time. A novel piezo-electrically-driven polymer microrheometer was employed to apply repetitive impulses to the polymer sample while time-domain spectra were recorded. Recent results include the study of both semi-crystalline polymers such as isotactic polypropylene (iPP) and elastomers such as Estane polyester/polyurethane copolymer and Kraton tri-block copolymer. The spectral changes of iPP are consistent with frequency-domain results. For iPP at room temperature, large differences in the response times of different absorption bands are not seen. However, the orientation response of the CH{sub 3} rocking mode is slightly slower than the responses of the backbone modes. To the authors` knowledge, this is the first reported successful step-scan FTIR time-domain dynamic polymer opto-rheology experiment. The advantages of the time-domain experiment over the frequency-domain experiment are also discussed briefly. This technique appears to be applicable to a variety of polymer samples, and examples from additional results are illustrated.

  9. Loop expansion in a functional space

    SciTech Connect (OSTI)

    Kroger, H.; Labelle, P.

    1989-07-15

    As an alternative to the loop expansion of the effective potential, wesuggest a functional expansion of the generating functional for an/ital n/-point Euclidean Green's function. The formulation of the scheme isindependent of the space-time dimension of the model. The scheme yieldsstandard perturbation theory in the regime of a small coupling constant andallows to extract information on the regime of strong coupling. As an explicitexample we consider the scalar /Phi//sup 4/ model and computecontributions up to the four-loop level.

  10. Cryogenic expansion machine

    DOE Patents [OSTI]

    Pallaver, Carl B.; Morgan, Michael W.

    1978-01-01

    A cryogenic expansion engine includes intake and exhaust poppet valves each controlled by a cam having adjustable dwell, the valve seats for the valves being threaded inserts in the valve block. Each cam includes a cam base and a ring-shaped cam insert disposed at an exterior corner of the cam base, the cam base and cam insert being generally circular but including an enlarged cam dwell, the circumferential configuration of the cam base and cam dwell being identical, the cam insert being rotatable with respect to the cam base. GI CONTRACTUAL ORIGIN OF THE INVENTION The invention described herein was made in the course of, or under, a contract with the UNITED STATES ENERGY RESEARCH AND DEVELOPMENT ADMINISTRATION.

  11. 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, ...

  12. Time

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

    3 4 5 6 7 8 9 10 Time with respect to the BNB Trigger Time [µs] 0.9 1.0 1.1 1.2 1.3 1.4 1.5 1.6 1.7 1.8 Fractional Flash Count per 0.15 µs with respect to Cosmic Background Measured Cosmic Rate (Beam-Off) BNB Trigger Data (Beam-On) [4.51E18 POT]

  13. Time

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

    10 15 20 Time with respect to the NuMI Trigger Time [µs] 0.9 1.0 1.1 1.2 1.3 1.4 1.5 Fractional Flash Count per 0.5 µs with respect to Cosmic Background Measured Cosmic Rate (Beam-Off) NuMI Trigger Data (Beam-On) [4.83E18 POT]

  14. 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.

  15. Protein Folding Dynamics Detected By Time-Resolved Synchrotron X-ray Small-Angle Scattering Technique

    SciTech Connect (OSTI)

    Fujisawa, Tetsuro; Takahashi, Satoshi [RIKEN Harima Institute, SPring-8 Center, Laboratory for Biometal Science, Hyogo 679-5148 (Japan); Institute for Protein Research, Osaka University Suita Osaka 565-0871/CREST, JST (Japan)

    2007-03-30

    The polypeptide collapse is an essential dynamics in protein folding. To understand the mechanism of the collapse, in situ observation of folding by various probes is necessary. The changes in secondary and tertiary structures in the folding process of globular proteins, whose chain lengths are less than 300 polypeptides, were observed by circular dichrosim and intrinsic fluorescence spectroscopies, respectively. On the other hand, those in protein compactness could be only detected by using time-resolved synchrotron x-ray small-angle scattering technique. The observed dynamics for several proteins with different topologies suggested a common folding mechanism termed 'collapse and search' dynamics, in which the polypeptide collapse precedes the formation of the native contact formation. In 'collapse and search' dynamics, the most outstanding feature lied in the compactness of the initial intermediates. The collapsed intermediates demonstrated the scaling relationship between radius of gyration (Rg) and chain length with a scaling exponent of 0.35 {+-} 0.11, which is close to the value (1/3) predicted by mechano-statistical theory for the collapsed globules of polymers in poor solvent. Thus, it was suggested that the initial collapse is caused by the coil-globule transition of polymers. Since the collapse is essential to the folding of larger proteins, further investigations on the collapse likely lead to an important insight into the protein folding phenomena.

  16. FERC approves Northwest pipeline expansion

    SciTech Connect (OSTI)

    Not Available

    1992-06-15

    Northwest Pipeline Co., Salt Lake City, Utah, received a final permit from the Federal Energy Regulatory Commission for a $373.4 million main gas line expansion. This paper reports that it plans to begin construction of the 443 MMcfd expansion in mid-July after obtaining further federal, state, and local permits. The expanded system is to be fully operational by second quarter 1993. When the expansion is complete, total Northwest system mileage will be 3,936 miles and system capacity about 2.49 bcfd.

  17. Pseudodynamic planning for expansion of power distribution sytems

    SciTech Connect (OSTI)

    Ramirez-Rosado, I.J. ); Gonen, T. )

    1991-02-01

    This paper presents basic and extended planning models, based on a pseudodynamic methodology, to solve the global expansion problem (sizing, locating, and timing) of distribution substations and feeders throughout the planning time period. The objective functions, that represent the expansion costs, are minimized by successive concatenated optimizations subject to the Kirchhoff's current law, power capacity limits and logical constraints, in the basic model. It also presents an extended model that is obtained by including the voltage drop constraints in the basic model.

  18. Clocking the Early Universe's Expansion

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

    Clocking the Early Universe's Expansion Calculations Performed at NERSC Help Scientists Close in on the Nature of Dark Energy April 17, 2014 Margie Wylie, mwylie@lbl.gov, +1 510 ...

  19. Probing Reaction Dynamics of Transition-Metal Complexes in Solution via Time-Resolved X-ray Spectroscopy

    SciTech Connect (OSTI)

    Huse, Nils; Khalil, Munira; Kim, Tae Kyu; Smeigh, Amanda L.; Jamula, Lindsey; McCusker, James K.; Schoenlein, Robert W.

    2009-05-24

    We report measurements of the photo-induced Fe(II) spin crossover reaction dynamics in solution via time-resolved x-ray absorption spectroscopy. EXAFS measurements reveal that the iron?nitrogen bond lengthens by 0.21+-0.03 Angstrom in the high-spin transient excited state relative to the ground state. XANES measurements at the Fe L-edge show directly the influence of the structural change on the ligand-field splitting of the Fe(II) 3d orbitals associated with the spin transition.

  20. Dynamic response of materials on sub-nanosecond time scales, and beryllium properties for inertial confinement fusion

    SciTech Connect (OSTI)

    Swift, D C; Tierney, T E; Luo, S N; Paisley, D L; Kyrala, G A; Hauer, A; Greenfield, S R; Koskelo, A C; McClellan, K J; Lorenzana, H E; Knudson, M D; Peralta, P P; Loomis, E

    2004-12-09

    During the past few years, substantial progress has been made in developing experimental techniques capable of investigating the response of materials to dynamic loading on nanosecond time scales and shorter, with multiple diagnostics probing different aspects of the behavior. these relatively short time scales are scientifically interesting because plastic flow and phase changes in common materials with simple crystal structures--such as iron--may be suppressed, allowing unusual states to be induced and the dynamics of plasticity and polymorphism to be explored. Loading by laser ablation can be particularly convenient. The TRIDENT laser has been used to impart shocks and isentropic compression waves from {approx}1 to 200GPa in a range of elements and alloys, with diagnostics including surface velocimetry (line-imaging VISAR), surface displacement (framed area imaging), x-ray diffraction (single crystal and polycrystal), ellipsometry, and Raman spectroscopy. A major motivation has been the study of the properties of beryllium under conditions relevant to the fuel capsule in inertial confinement fusion: magnetically-driven shock and isentropic compression shots at Z were used to investigate the equation of state and shock melting characteristics, complemented by laser ablation experiments to investigate plasticity and heterogeneous response. These results will help to constrain acceptable tolerances on manufacturing, and possible loading paths, for inertial fusion ignition experiments at the National Ignition Facility. Laser-based techniques are being developed further for future material dynamics experiments, where it should be possible to obtain high quality data on strength and phase changes up to at least 1TPa.

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

    SciTech Connect (OSTI)

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

    2012-06-01

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

  2. Expansion of a cold non-neutral plasma slab

    SciTech Connect (OSTI)

    Karimov, A. R.; Yu, M. Y.; Stenflo, L.

    2014-12-15

    Expansion of the ion and electron fronts of a cold non-neutral plasma slab with a quasi-neutral core bounded by layers containing only ions is investigated analytically and exact solutions are obtained. It is found that on average, the plasma expansion time scales linearly with the initial inverse ion plasma frequency as well as the degree of charge imbalance, and no expansion occurs if the cold plasma slab is stationary and overall neutral. However, in both cases, there can exist prominent oscillations on the electron front.

  3. Nuclear Fusion Drives Present-Day Accelerated Cosmic Expansion

    SciTech Connect (OSTI)

    Ying, Leong

    2010-09-30

    The widely accepted model of our cosmos is that it began from a Big Bang event some 13.7 billion years ago from a single point source. From a twin universe perspective, the standard stellar model of nuclear fusion can account for the Dark Energy needed to explain the mechanism for our present-day accelerated expansion. The same theories can also be used to account for the rapid inflationary expansion at the earliest time of creation, and predict the future cosmic expansion rate.

  4. Couplings between hierarchical conformational dynamics from multi-time correlation functions and two-dimensional lifetime spectra: Application to adenylate kinase

    SciTech Connect (OSTI)

    Ono, Junichi; Takada, Shoji; Saito, Shinji

    2015-06-07

    An analytical method based on a three-time correlation function and the corresponding two-dimensional (2D) lifetime spectrum is developed to elucidate the time-dependent couplings between the multi-timescale (i.e., hierarchical) conformational dynamics in heterogeneous systems such as proteins. In analogy with 2D NMR, IR, electronic, and fluorescence spectroscopies, the waiting-time dependence of the off-diagonal peaks in the 2D lifetime spectra can provide a quantitative description of the dynamical correlations between the conformational motions with different lifetimes. The present method is applied to intrinsic conformational changes of substrate-free adenylate kinase (AKE) using long-time coarse-grained molecular dynamics simulations. It is found that the hierarchical conformational dynamics arise from the intra-domain structural transitions among conformational substates of AKE by analyzing the one-time correlation functions and one-dimensional lifetime spectra for the donor-acceptor distances corresponding to single-molecule Förster resonance energy transfer experiments with the use of the principal component analysis. In addition, the complicated waiting-time dependence of the off-diagonal peaks in the 2D lifetime spectra for the donor-acceptor distances is attributed to the fact that the time evolution of the couplings between the conformational dynamics depends upon both the spatial and temporal characters of the system. The present method is expected to shed light on the biological relationship among the structure, dynamics, and function.

  5. 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.

  6. Dynamic Response of an Optomechanical System to a Stationary Random Excitation in the Time Domain

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

    Palmer, Jeremy A.; Paez, Thomas L.

    2011-01-01

    Modern electro-optical instruments are typically designed with assemblies of optomechanical members that support optics such that alignment is maintained in service environments that include random vibration loads. This paper presents a nonlinear numerical analysis that calculates statistics for the peak lateral response of optics in an optomechanical sub-assembly subject to random excitation of the housing. The work is unique in that the prior art does not address peak response probability distribution for stationary random vibration in the time domain for a common lens-retainer-housing system with Coulomb damping. Analytical results are validated by using displacement response data from random vibration testingmore » of representative prototype sub-assemblies. A comparison of predictions to experimental results yields reasonable agreement. The Type I Asymptotic form provides the cumulative distribution function for peak response probabilities. Probabilities are calculated for actual lens centration tolerances. The probability that peak response will not exceed the centration tolerance is greater than 80% for prototype configurations where the tolerance is high (on the order of 30 micrometers). Conversely, the probability is low for those where the tolerance is less than 20 micrometers. The analysis suggests a design paradigm based on the influence of lateral stiffness on the magnitude of the response.« less

  7. Time-resolved, nonequilibrium carrier dynamics in Si-on-glass thin films for photovoltaic cells

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

    Serafini, John; Akbas, Yunus; Crandall, Lucas; Bellman, Robert; Williams, Carlo Kosik; Sobolewski, Robert

    2016-03-02

    Here, a femtosecond pump–probe spectroscopy method was used to characterize the growth process and transport properties of amorphous silicon-on-glass, thin films, intended as absorbers for photovoltaic cells. We collected normalized transmissivity change (ΔT/T) waveforms and interpreted them using a comprehensive three-rate equation electron trapping and recombination model. Optically excited ~300–500 nm thick Si films exhibited a bi-exponential carrier relaxation with the characteristic times varying from picoseconds to nanoseconds depending on the film growth process. From our comprehensive trapping model, we could determine that for doped and intrinsic films with very low hydrogen dilution the dominant relaxation mode was carrier trapping;more » while for intrinsic films with large hydrogen content and some texture, it was the standard electron–phonon cooling. In both cases, the initial nonequilibrium relaxation was followed by Shockley–Read–Hall recombination. An excellent fit between the model and the ΔT/T experimental transients was obtained and a correlation between the Si film growth process, its hydrogen content, and the associated trap concentration was demonstrated.« less

  8. Relativistic effects on plasma expansion

    SciTech Connect (OSTI)

    Benkhelifa, El-Amine; Djebli, Mourad

    2014-07-15

    The expansion of electron-ion plasma is studied through a fully relativistic multi-fluids plasma model which includes thermal pressure, ambipolar electrostatic potential, and internal energy conversion. Numerical investigation, based on quasi-neutral assumption, is performed for three different regimes: nonrelativistic, weakly relativistic, and relativistic. Ions' front in weakly relativistic regime exhibits spiky structure associated with a break-down of quasi-neutrality at the expanding front. In the relativistic regime, ion velocity is found to reach a saturation limit which occurs at earlier stages of the expansion. This limit is enhanced by higher electron velocity.

  9. Static properties of nuclear matter within the Boson Loop Expansion

    SciTech Connect (OSTI)

    Alberico, W.M.; Cenni, R. Garbarino, G.; Quaglia, M.R.

    2008-08-15

    The use of the Boson Loop Expansion is proposed for investigating the static properties of nuclear matter. We explicitly consider a schematic dynamical model in which nucleons interact with the scalar-isoscalar {sigma} meson. The suggested approximation scheme is examined in detail at the mean field level and at the one- and two-loop orders. The relevant formulas are provided to derive the binding energy per nucleon, the pressure and the compressibility of nuclear matter. Numerical results of the binding energy at the one-loop order are presented for Walecka's {sigma}-{omega} model in order to discuss the degree of convergence of the Boson Loop Expansion.

  10. Cosmic expansion histories in massive bigravity with symmetric matter coupling

    SciTech Connect (OSTI)

    Enander, Jonas; Mrtsell, Edvard [Oskar Klein Center, Stockholm University, Albanova University Center, 106 91 Stockholm (Sweden); Solomon, Adam R. [DAMTP, Centre for Mathematical Sciences, University of Cambridge, Wilberforce Rd., Cambridge CB3 0WA (United Kingdom); Akrami, Yashar, E-mail: enander@fysik.su.se, E-mail: a.r.solomon@damtp.cam.ac.uk, E-mail: yashar.akrami@astro.uio.no, E-mail: edvard@fysik.su.se [Institute of Theoretical Astrophysics, University of Oslo, P.O. Box 1029 Blindern, N-0315 Oslo (Norway)

    2015-01-01

    We study the cosmic expansion history of massive bigravity with a viable matter coupling which treats both metrics on equal footing. We derive the Friedmann equation for the effective metric through which matter couples to the two metrics, and study its solutions. For certain parameter choices, the background cosmology is identical to that of ?CDM. More general parameters yield dynamical dark energy, which can still be in agreement with observations of the expansion history. We study specific parameter choices of interest, including minimal models, maximally-symmetric models, and a candidate partially-massless theory.

  11. First Demonstration of Combined kV/MV Image-Guided Real-Time Dynamic Multileaf-Collimator Target Tracking

    SciTech Connect (OSTI)

    Cho, Byungchul Poulsen, Per R.; Sloutsky, Alex; Sawant, Amit; Keall, Paul J.

    2009-07-01

    Purpose: For intrafraction motion management, a real-time tracking system was developed by combining fiducial marker-based tracking via simultaneous kilovoltage (kV) and megavoltage (MV) imaging and a dynamic multileaf collimator (DMLC) beam-tracking system. Methods and Materials: The integrated tracking system employed a Varian Trilogy system equipped with kV/MV imaging systems and a Millennium 120-leaf MLC. A gold marker in elliptical motion (2-cm superior-inferior, 1-cm left-right, 10 cycles/min) was simultaneously imaged by the kV and MV imagers at 6.7 Hz and segmented in real time. With these two-dimensional projections, the tracking software triangulated the three-dimensional marker position and repositioned the MLC leaves to follow the motion. Phantom studies were performed to evaluate time delay from image acquisition to MLC adjustment, tracking error, and dosimetric impact of target motion with and without tracking. Results: The time delay of the integrated tracking system was {approx}450 ms. The tracking error using a prediction algorithm was 0.9 {+-} 0.5 mm for the elliptical motion. The dose distribution with tracking showed better target coverage and less dose to surrounding region over no tracking. The failure rate of the gamma test (3%/3-mm criteria) was 22.5% without tracking but was reduced to 0.2% with tracking. Conclusion: For the first time, a complete tracking system combining kV/MV image-guided target tracking and DMLC beam tracking was demonstrated. The average geometric error was less than 1 mm, and the dosimetric error was negligible. This system is a promising method for intrafraction motion management.

  12. Comparison among Magnus/Floquet/Fer expansion schemes in solid-state NMR

    SciTech Connect (OSTI)

    Takegoshi, K. Miyazawa, Norihiro; Sharma, Kshama; Madhu, P. K.

    2015-04-07

    We here revisit expansion schemes used in nuclear magnetic resonance (NMR) for the calculation of effective Hamiltonians and propagators, namely, Magnus, Floquet, and Fer expansions. While all the expansion schemes are powerful methods there are subtle differences among them. To understand the differences, we performed explicit calculation for heteronuclear dipolar decoupling, cross-polarization, and rotary-resonance experiments in solid-state NMR. As the propagator from the Fer expansion takes the form of a product of sub-propagators, it enables us to appreciate effects of time-evolution under Hamiltonians with different orders separately. While 0th-order average Hamiltonian is the same for the three expansion schemes with the three cases examined, there is a case that the 2nd-order term for the Magnus/Floquet expansion is different from that obtained with the Fer expansion. The difference arises due to the separation of the 0th-order term in the Fer expansion. The separation enables us to appreciate time-evolution under the 0th-order average Hamiltonian, however, for that purpose, we use a so-called left-running Fer expansion. Comparison between the left-running Fer expansion and the Magnus expansion indicates that the sign of the odd orders in Magnus may better be reversed if one would like to consider its effect in order.

  13. The 1/Nc Expansion in Baryons

    SciTech Connect (OSTI)

    Jose L. Goity, Chandana Jayalath, Norberto N. Scoccola

    2010-08-01

    The 1/N_c expansion in baryons is discussed with two applications, namely baryon masses and partial decay widths. These applications provide the basic insights on the utility of the expansion.

  14. Expansion and stability of a magnetic arcade during a solar flare

    SciTech Connect (OSTI)

    Martinell, J.J. )

    1990-12-01

    A study is presented of the dynamics of a magnetic arcade that is typical of an active region in the solar atmosphere when it is affected by a solar flare occurring somewhere within the enclosure of the arcade. As it expands in the corona, propelled by the increased pressure of the flare, the energetic flare-accelerated particles that are trapped by the field are carried along and can only escape if an appropriate instability is excited. A pressure-driven instability of the ballooning-mode type is examined as a releasing mechanism. This is excited as the plasma beta within the magnetic enclosure exceeds a critical value a short time after the flare onset and grows in times of the order of 1 s. Finally, the effect of a shock wave moving in front of the expansion on the number of particles injected into interplanetary space is discussed. 24 refs.

  15. Time-resolved THz studies of carrier dynamics in semiconductors, superconductors, and strongly-correlated electron materials

    SciTech Connect (OSTI)

    Kaindl, Robert A.; Averitt, Richard D.

    2006-11-14

    materials occur at lower energies. The terahertz (THz) regime is particularly rich in such fundamental resonances. This includes ubiquitous lattice vibrations and low-energy collective oscillations of conduction charges. In nanoscale materials, band structure quantization also yields novel infrared and THz transitions, including intersubband absorption in quantum wells. The formation of excitons in turn leads to low-energy excitations analogous to inter-level transitions in atoms. In transition-metal oxides, fundamental excitation gaps arise from charge pairing into superconducting condensates and other correlated states. This motivates the use of ultrafast THz spectroscopy as a powerful tool to study light-matter interactions and microscopic processes in nanoscale and correlated-electron materials.A distinct advantage of coherent THz pulses is that the amplitude and phase of the electric field can be measured directly, as the THz fields are coherent with the fs pulses from which they are generated. Using THz time-domain spectroscopy (THz-TDS), both the real and imaginary parts of the response functions (such as the dielectric function) are obtained directly without the need for Kramers?Kronig transforms. The THz response can also be expressed in terms of absorption and refractive index, or as the optical conductivity. The optical conductivity describes the current response of a many-body system to an electric field, an ideal tool to study conducting systems. A second important advantage is the ultrafast time resolution that results from the short temporal duration of the THz time-domain sources. In particular, optical-pump THz-probe spectroscopy enables a delicate probe of the transient THz conductivity after optical photoexcitation. These experiments can provide insight into quasiparticle interactions, phase transitions, or nonequilibrium dynamics. In this chapter we will provide many such examples. Since THz spectroscopy of solids is a quickly expanding field

  16. Stetson Wind Expansion Wind Farm | Open Energy Information

    Open Energy Info (EERE)

    Stetson Wind Expansion Wind Farm Jump to: navigation, search Name Stetson Wind Expansion Wind Farm Facility Stetson Wind Expansion Sector Wind energy Facility Type Commercial Scale...

  17. EA-1997: Construction Landfill Expansion, Pantex Plant, Amarillo...

    Office of Environmental Management (EM)

    7: Construction Landfill Expansion, Pantex Plant, Amarillo, Texas EA-1997: Construction Landfill Expansion, Pantex Plant, Amarillo, Texas SUMMARY Construction Landfill Expansion,...

  18. Accelerated expansion of the universe la the Stueckelberg mechanism

    SciTech Connect (OSTI)

    Akarsu, zgr; Ar?k, Metin; Kat?rc?, Nihan; Kavuk, Mehmet E-mail: metin.arik@boun.edu.tr E-mail: mehmet.kavuk@boun.edu.tr

    2014-07-01

    We investigate a cosmological model in which the Stueckelberg fields are non-minimally coupled to the scalar curvature in a gauge invariant manner. We present not only a solution that can be considered in the context of the late time acceleration of the universe but also a solution compatible with the inflationary cosmology. Distinct behaviors of the scalar and vector fields together with the real valued mass gained by the Stueckelberg mechanism lead the universe to go through the two different accelerated expansion phases with a decelerated expansion phase between them. On the other hand, in the solutions we present, if the mass is null then the universe is either static or exhibits a simple power law expansion due to the vector field potential.

  19. Pressurized electrolysis stack with thermal expansion capability

    SciTech Connect (OSTI)

    Bourgeois, Richard Scott

    2015-07-14

    The present techniques provide systems and methods for mounting an electrolyzer stack in an outer shell so as to allow for differential thermal expansion of the electrolyzer stack and shell. Generally, an electrolyzer stack may be formed from a material with a high coefficient of thermal expansion, while the shell may be formed from a material having a lower coefficient of thermal expansion. The differences between the coefficients of thermal expansion may lead to damage to the electrolyzer stack as the shell may restrain the thermal expansion of the electrolyzer stack. To allow for the differences in thermal expansion, the electrolyzer stack may be mounted within the shell leaving a space between the electrolyzer stack and shell. The space between the electrolyzer stack and the shell may be filled with a non-conductive fluid to further equalize pressure inside and outside of the electrolyzer stack.

  20. Expansion Capital Partners LLC | Open Energy Information

    Open Energy Info (EERE)

    Area Product: Venture capital firm that invests in expansion-stage, clean technology enterprises Year Founded: 2001 Phone Number: (415) 788-8802 Website: www.expansioncapital.com...

  1. Energy Infrastructure Events and Expansions Infrastructure Security...

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

    Year-in-Review: 2010 Energy Infrastructure Events and Expansions Infrastructure Security and Energy Restoration Office of Electricity Delivery and Energy Reliability U.S. ...

  2. Density relaxation and particle motion characteristics in a non-ionic deep eutectic solvent (acetamide + urea): Time-resolved fluorescence measurements and all-atom molecular dynamics simulations

    SciTech Connect (OSTI)

    Das, Anuradha; Das, Suman; Biswas, Ranjit

    2015-01-21

    Temperature dependent relaxation dynamics, particle motion characteristics, and heterogeneity aspects of deep eutectic solvents (DESs) made of acetamide (CH{sub 3}CONH{sub 2}) and urea (NH{sub 2}CONH{sub 2}) have been investigated by employing time-resolved fluorescence measurements and all-atom molecular dynamics simulations. Three different compositions (f) for the mixture [fCH{sub 3}CONH{sub 2} + (1 − f)NH{sub 2}CONH{sub 2}] have been studied in a temperature range of 328-353 K which is ∼120-145 K above the measured glass transition temperatures (∼207 K) of these DESs but much lower than the individual melting temperature of either of the constituents. Steady state fluorescence emission measurements using probe solutes with sharply different lifetimes do not indicate any dependence on excitation wavelength in these metastable molten systems. Time-resolved fluorescence anisotropy measurements reveal near-hydrodynamic coupling between medium viscosity and rotation of a dissolved dipolar solute. Stokes shift dynamics have been found to be too fast to be detected by the time-resolution (∼70 ps) employed, suggesting extremely rapid medium polarization relaxation. All-atom simulations reveal Gaussian distribution for particle displacements and van Hove correlations, and significant overlap between non-Gaussian (α{sub 2}) and new non-Gaussian (γ) heterogeneity parameters. In addition, no stretched exponential relaxations have been detected in the simulated wavenumber dependent acetamide dynamic structure factors. All these results are in sharp contrast to earlier observations for ionic deep eutectics with acetamide [Guchhait et al., J. Chem. Phys. 140, 104514 (2014)] and suggest a fundamental difference in interaction and dynamics between ionic and non-ionic deep eutectic solvent systems.

  3. Extended space expectation values in quantum dynamical system evolutions

    SciTech Connect (OSTI)

    Demiralp, Metin

    2014-10-06

    The time variant power series expansion for the expectation value of a given quantum dynamical operator is well-known and well-investigated issue in quantum dynamics. However, depending on the operator and Hamiltonian singularities this expansion either may not exist or may not converge for all time instances except the beginning of the evolution. This work focuses on this issue and seeks certain cures for the negativities. We work in the extended space obtained by adding all images of the initial wave function under the system Hamiltonians positive integer powers. This requires the introduction of certain appropriately defined weight operators. The resulting better convergence in the temporal power series urges us to call the new defined entities extended space expectation values even though they are constructed over certain weight operators and are somehow pseudo expectation values.

  4. Eigenfunction Expansion of the Space-Time Dependent Neutron Survival...

    Office of Scientific and Technical Information (OSTI)

    2013 ANS Winter Meeting held November 9-13, 2013 in Washington DC, DC.; Related Information: Proposed for presentation at the 2013 ANS Winter Meeting held November 9-13, 2013 ...

  5. Eigenfunction Expansion of the Space-Time Dependent Neutron Survival...

    Office of Scientific and Technical Information (OSTI)

    Language: English Word Cloud More Like This Full Text Journal Articles Find in Google Scholar Find in Google Scholar Search WorldCat Search WorldCat to find libraries that may hold ...

  6. Micromagnetic analysis of dynamical bubble-like solitons based on the time domain evolution of the topological density

    SciTech Connect (OSTI)

    Puliafito, Vito Azzerboni, Bruno; Finocchio, Giovanni; Torres, Luis; Ozatay, Ozhan

    2014-05-07

    Dynamical bubble-like solitons have been recently investigated in nanocontact-based spin-torque oscillators with a perpendicular free layer. Those magnetic configurations can be excited also in different geometries as long as they consist of perpendicular materials. Thus, in this paper, a systematic study of the influence of both external field and high current on that kind of dynamics is performed for a spin-valve point-contact geometry where both free and fixed layers present strong perpendicular anisotropy. The usage of the topological density tool highlights the excitation of complex bubble/antibubble configurations. In particular, at high currents, a deformation of the soliton and its simultaneous shift from the contact area are observed and can be ascribable to the Oersted field. Results provide further detailed information on the excitation of solitons in perpendicular materials for application in spintronics, magnonics, and domain wall logic.

  7. Multipole expansion method for supernova neutrino oscillations

    SciTech Connect (OSTI)

    Duan, Huaiyu; Shalgar, Shashank, E-mail: duan@unm.edu, E-mail: shashankshalgar@unm.edu [Department of Physics and Astronomy, University of New Mexico, Albuquerque, NM 87131 (United States)

    2014-10-01

    We demonstrate a multipole expansion method to calculate collective neutrino oscillations in supernovae using the neutrino bulb model. We show that it is much more efficient to solve multi-angle neutrino oscillations in multipole basis than in angle basis. The multipole expansion method also provides interesting insights into multi-angle calculations that were accomplished previously in angle basis.

  8. Dynamical Expansion of HII Regions From Ultracompact to Compact...

    Office of Scientific and Technical Information (OSTI)

    Authors: Low, Mordecai-Mark Mac ; Toraskar, Jayashree ; Amer. Museum Natural Hist. ; Oishi, Jeffrey S. ; Amer. Museum Natural Hist. Virginia U., Astron. Dept. ; Abel, Tom ; ...

  9. Dynamical Expansion of HII Regions From Ultracompact to Compact...

    Office of Scientific and Technical Information (OSTI)

    Publication Date: 2006-05-26 OSTI Identifier: 882832 Report Number(s): SLAC-PUB-11879 astro-ph0605501 DOE Contract Number: AC02-76SF00515 Resource Type: Technical Report Research ...

  10. Photochemistry of the water dimer: Time-dependent quantum wave-packet description of the dynamics at the S{sub 1}-S{sub 0} conical intersection

    SciTech Connect (OSTI)

    Chmura, Bartosz; Rode, Michal F.; Sobolewski, Andrzej L.; Lan Zhenggang

    2009-10-07

    The photoinduced electron-driven proton-transfer dynamics of the water-dimer system has been investigated by time-dependent quantum wave-packet calculations. The main nuclear degrees of freedom driving the system from the Frank-Condon region to the S{sub 0}-S{sub 1} conical intersection are the distance between the oxygen atoms and the displacement of the hydrogen atom from the oxygen-oxygen bond center. Two important coupling modes have been investigated: Rotation of the H-donating water dangling proton and asymmetric stretching of the H-accepting water dangling protons'O{sub a}H bonds. Potential energy surfaces of the ground and lowest excited electronic states have been constructed on the basis of ab initio calculations. The time-dependent quantum wave-packet propagation has been employed within the (2 + 1)-dimensional systems for the description of the nonadiabatic dynamics of water dimer. The effects of the initial vibrational state of the system on the electronic population transfer and dissociation dynamics are presented. To approximate the photochemical behavior of water dimer in bulk water, we add a boundary condition into the (2 + 1)-dimensional systems to simulate the existence of water bulk. The results provide insight into the mechanisms of excited state deactivation of the water-dimer system in gas phase and in bulk water through the electron-driven proton-transfer process.

  11. Real-Time Target Position Estimation Using Stereoscopic Kilovoltage/Megavoltage Imaging and External Respiratory Monitoring for Dynamic Multileaf Collimator Tracking

    SciTech Connect (OSTI)

    Cho, Byungchul; Poulsen, Per Rugaard; Sawant, Amit; Ruan, Dan; Keall, Paul J.

    2011-01-01

    Purpose: To develop a real-time target position estimation method using stereoscopic kilovoltage (kV)/megavoltage (MV) imaging and external respiratory monitoring, and to investigate the performance of a dynamic multileaf collimator tracking system using this method. Methods and Materials: The real-time three-dimensional internal target position estimation was established by creating a time-varying correlation model that connected the external respiratory signals with the internal target motion measured intermittently using kV/MV imaging. The method was integrated into a dynamic multileaf collimator tracking system. Tracking experiments were performed for 10 thoracic/abdominal traces. A three-dimensional motion platform carrying a gold marker and a separate one-dimensional motion platform were used to reproduce the target and external respiratory motion, respectively. The target positions were detected by kV (1 Hz) and MV (5.2 Hz) imaging, and external respiratory motion was captured by an optical system (30 Hz). The beam-target alignment error was quantified as the positional difference between the target and circular beam center on the MV images acquired during tracking. The correlation model error was quantified by comparing a model estimate and measured target positions. Results: The root-mean-square errors in the beam-target alignment that had ranged from 3.1 to 7.6 mm without tracking were reduced to <1.5 mm with tracking, except during the model building period (6 s). The root-mean-square error in the correlation model was submillimeters in all directions. Conclusion: A novel real-time target position estimation method was developed and integrated into a dynamic multileaf collimator tracking system and demonstrated an average submillimeter geometric accuracy after initializing the internal/external correlation model. The method used hardware tools available on linear accelerators and therefore shows promise for clinical implementation.

  12. Concentric ring flywheel without expansion separators

    DOE Patents [OSTI]

    Kuklo, Thomas C.

    1999-01-01

    A concentric ring flywheel wherein the adjacent rings are configured to eliminate the need for differential expansion separators between the adjacent rings. This is accomplished by forming a circumferential step on an outer surface of an inner concentric ring and forming a matching circumferential step on the inner surface of an adjacent outer concentric ring. During operation the circumferential steps allow the rings to differentially expand due to the difference in the radius of the rings without the formation of gaps therebetween, thereby eliminating the need for expansion separators to take up the gaps formed by differential expansion.

  13. Concentric ring flywheel without expansion separators

    DOE Patents [OSTI]

    Kuklo, T.C.

    1999-08-24

    A concentric ring flywheel wherein the adjacent rings are configured to eliminate the need for differential expansion separators between the adjacent rings. This is accomplished by forming a circumferential step on an outer surface of an inner concentric ring and forming a matching circumferential step on the inner surface of an adjacent outer concentric ring. During operation the circumferential steps allow the rings to differentially expand due to the difference in the radius of the rings without the formation of gaps therebetween, thereby eliminating the need for expansion separators to take up the gaps formed by differential expansion. 3 figs.

  14. Real-time observation of dynamic process of oxygen vacancy migration in cerium oxides under electric field

    SciTech Connect (OSTI)

    Li, Xiaomin; Qi, Kuo; Sun, Muhua; Huang, Qianming; Xu, Zhi E-mail: xdbai@iphy.ac.cn; Wang, Wenlong; Bai, Xuedong E-mail: xdbai@iphy.ac.cn

    2015-11-23

    The dynamic process of oxygen vacancy migration driven by the external electric field is directly observed at atomic scale in the cerium oxides (CeO{sub 2}) thin film by in-situ transmission electron microscopy method. When a bias voltage of a proper value is applied across the CeO{sub 2} film, the oxygen vacancies are formed near the interface of CeO{sub 2}/anode, followed by their migration along the direction of the external electric field. The structural modulation occurs in the [110] zone axis due to the ordering of oxygen vacancies. The migration of oxygen vacancies results in the reversible structural transformation, i.e., releasing and storing oxygen processes in CeO{sub 2}, which is of great significance for the ionic and electronic applications of the cerium oxides materials, such as oxygen pump, gas sensor, resistive random access memory, etc.

  15. Intrinsic transverse momentum and dynamical chiral symmetry breaking...

    Office of Scientific and Technical Information (OSTI)

    Using an effective dynamical model based on chiral constituent quark degrees of freedom and the 1Nc expansion (chiral quark-soliton model), we calculate the transverse momentum ...

  16. Low expansion superalloy with improved toughness

    DOE Patents [OSTI]

    Smith, D.F.; Stein, L.I.; Hwang, I.S.

    1995-06-20

    A high strength, low coefficient of thermal expansion superalloy exhibiting improved toughness over a broad temperature range down to about 4 K is disclosed. The composition is adapted for use with wrought superconducting sheathing.

  17. Low expansion superalloy with improved toughness

    DOE Patents [OSTI]

    Smith, Darrell F.; Stein, Larry I.; Hwang, Il S.

    1995-01-01

    A high strength, low coefficient of thermal expansion superalloy exhibiting improved toughness over a broad temperature range down to about 4.degree. K. The composition is adapted for use with wrought superconducting sheathing.

  18. Alternative Fuel Infrastructure Expansion: Costs, Resources, Production

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

    Capacity, and Retail Availability for Low-Carbon Scenarios | Department of Energy Alternative Fuel Infrastructure Expansion: Costs, Resources, Production Capacity, and Retail Availability for Low-Carbon Scenarios Alternative Fuel Infrastructure Expansion: Costs, Resources, Production Capacity, and Retail Availability for Low-Carbon Scenarios The petroleum-based transportation fuel system is complex and highly developed, in contrast to the nascent low-petroleum, low-carbon alternative fuel

  19. EIA - Natural Gas Pipeline Network - Expansion Process Flow Diagram

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

    Development & Expansion > Development and Expansion Process Figure About U.S. Natural Gas Pipelines - Transporting Natural Gas based on data through 20072008 with selected updates ...

  20. High Efficiency Full Expansion (FEx) Engine for Automotive Application...

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

    Full Expansion (FEx) Engine for Automotive Applications High Efficiency Full Expansion (FEx) Engine for Automotive Applications Large increases in engine thermal efficiency result ...

  1. EA-2041: Cameron LNG Expansion Project | Department of Energy

    Office of Environmental Management (EM)

    41: Cameron LNG Expansion Project EA-2041: Cameron LNG Expansion Project Summary The Federal Energy Regulatory Commission (FERC) prepared an environmental assessment (EA) that ...

  2. EIS-0498: Magnolia LNG and Lake Charles Expansion Projects; Calcasieu...

    Office of Environmental Management (EM)

    8: Magnolia LNG and Lake Charles Expansion Projects; Calcasieu Parish, Louisiana EIS-0498: Magnolia LNG and Lake Charles Expansion Projects; Calcasieu Parish, Louisiana Summary The ...

  3. Expansion of Novolyte Capacity for Lithium Ion Electrolyte Production...

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

    More Documents & Publications Expansion of Novolyte Capacity for Lithium Ion Electrolyte Production Expansion of Novolyte Capacity for Lithium Ion Electrolyte Production FY 2011

  4. Expansion of Novolyte Capacity for Lithium Ion Electrolyte Production...

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

    More Documents & Publications Expansion of Novolyte Capacity for Lithium Ion Electrolyte Production Expansion of Novolyte Capacity for Lithium Ion Electrolyte Production FY 2012

  5. Year-in-Review: 2012 Energy Infrastructure Events and Expansions...

    Energy Savers [EERE]

    2 Energy Infrastructure Events and Expansions (July 2013) Year-in-Review: 2012 Energy Infrastructure Events and Expansions (July 2013) The Year-in-Review (YIR): 2012 Energy...

  6. Atomistic Time-Domain Simulations of Light-Harvesting and Charge-Transfer Dynamics in Novel Nanoscale Materials for Solar Hydrogen Production.

    SciTech Connect (OSTI)

    Prezhdo, Oleg V.

    2012-03-22

    Funded by the DOE grant (i) we continued to study and analyze the atomistic detail of the electron transfer (ET) across the chromophore-TiO2 interface in Gratzel cell systems for solar hydrogen production. (ii) We extensively investigated the nature of photoexcited states and excited state dynamics in semiconductor quantum dots (QD) designed for photovoltaic applications. (iii) We continued a newly initiated research direction focusing on excited state properties and electron-phonon interactions in nanoscale carbon materials. Over the past year, the results of the DOE funded research were summarized in 3 review articles. 12 original manuscripts were written. The research results were reported in 28 invited talks at conferences and university seminars. 20 invitations were accepted for talks in the near future. 2 symposia at national and international meetings have being organized this year on topics closely related to the DOE funded project, and 2 more symposia have been planned for the near future. We summarized the insights into photoinduced dynamics of semiconductor QDs, obtained from our time-domain ab initio studies. QDs exhibit both molecular and bulk properties. Unlike either bulk or molecular materials, QD properties can be modified continuously by changing QD shape and size. However, the chemical and physical properties of molecular and bulk materials often contradict each other, which can lead to differing viewpoints about the behavior of QDs. For example, the molecular view suggests strong electron-hole and charge-phonon interactions, as well as slow energy relaxation due to mismatch between electronic energy gaps and phonon frequencies. In contrast, the bulk view advocates that the kinetic energy of quantum confinement is greater than electron-hole interactions, that charge-phonon coupling is weak, and that the relaxation through quasi-continuous bands is rapid. By synthesizing the bulk and molecular viewpoints, we clarified the controversies and

  7. Self-Similar Nonlinear Dynamical Solutions for One-Component Nonneutral Plasma in a Time-Dependent Linear Focusing Field

    SciTech Connect (OSTI)

    Hong Qin and Ronald C. Davidson

    2011-07-19

    In a linear trap confining a one-component nonneutral plasma, the external focusing force is a linear function of the configuration coordinates and/or the velocity coordinates. Linear traps include the classical Paul trap and the Penning trap, as well as the newly proposed rotating-radio- frequency traps and the Mobius accelerator. This paper describes a class of self-similar nonlinear solutions of nonneutral plasma in general time-dependent linear focusing devices, with self-consistent electrostatic field. This class of nonlinear solutions includes many known solutions as special cases.

  8. Effects of restraint on expansion due to delayed ettringite formation

    SciTech Connect (OSTI)

    Bouzabata, Hassina; Multon, Stephane; Sellier, Alain; Houari, Hacene

    2012-07-15

    Delayed ettringite formation (DEF) is a chemical reaction that causes expansion in civil engineering structures. The safety level of such damaged structures has to be reassessed. To do this, the mechanical conditions acting on DEF expansions have to be analysed and, in particular, the variation of strength with expansion and the effect of restraint on the DEF expansion. This paper highlights several points: DEF expansion is isotropic in stress-free conditions, compressive stresses decrease DEF expansion in the direction subjected to restraint and lead to cracks parallel to the restraint, and expansion measured in the stress-free direction of restrained specimens is not modified. Thus restraint causes a decrease of the volumetric expansion and DEF expansion under restraint is anisotropic. Moreover, the paper examines the correlation between DEF expansion and concrete damage, providing data that can be used for the quantification of the effect of stresses on DEF induced expansion.

  9. Two dimensional numerical simulations of carrier dynamics during time-resolved photoluminescence decays in two-photon microscopy measurements in semiconductors

    SciTech Connect (OSTI)

    Kanevce, Ana; Kuciauskas, Darius; Levi, Dean H.; Johnston, Steven W.; Allende Motz, Alyssa M.

    2015-07-28

    We use two-dimensional numerical simulations to analyze high spatial resolution time-resolved spectroscopy data. This analysis is applied to two-photon excitation time-resolved photoluminescence (2PE-TRPL) but is broadly applicable to all microscopic time-resolved techniques. By solving time-dependent drift-diffusion equations, we gain insight into carrier dynamics and transport characteristics. Accurate understanding of measurement results establishes the limits and potential of the measurement and enhances its value as a characterization method. Diffusion of carriers outside of the collection volume can have a significant impact on the measured decay but can also provide an estimate of carrier mobility as well as lifetime. In addition to material parameters, the experimental conditions, such as spot size and injection level, can impact the measurement results. Although small spot size provides better resolution, it also increases the impact of diffusion on the decay; if the spot size is much smaller than the diffusion length, it impacts the entire decay. By reproducing experimental 2PE-TRPL decays, the simulations determine the bulk carrier lifetime from the data. The analysis is applied to single-crystal and heteroepitaxial CdTe, material important for solar cells, but it is also applicable to other semiconductors where carrier diffusion from the excitation volume could affect experimental measurements.

  10. Electrochemical-acoustic time of flight: in operando correlation of physical dynamics with battery charge and health

    SciTech Connect (OSTI)

    Hsieh, AG; Bhadra, S; Hertzberg, BJ; Gjeltema, PJ; Goy, A; Fleischer, JW; Steingart, DA

    2015-01-01

    We demonstrate that a simple acoustic time-of-flight experiment can measure the state of charge and state of health of almost any closed battery. An acoustic conservation law model describing the state of charge of a standard battery is proposed, and experimental acoustic results verify the simulated trends; furthermore, a framework relating changes in sound speed, via density and modulus changes, to state of charge and state of health within a battery is discussed. Regardless of the chemistry, the distribution of density within a battery must change as a function of state of charge and, along with density, the bulk moduli of the anode and cathode changes as well. The shifts in density and modulus also change the acoustic attenuation in a battery. Experimental results indicating both state-of-charge determination and irreversible physical changes are presented for two of the most ubiquitous batteries in the world, the lithium-ion 18650 and the alkaline LR6 (AA). Overall, a one-or two-point acoustic measurement can be related to the interaction of a pressure wave at multiple discrete interfaces within a battery, which in turn provides insights into state of charge, state of health, and mechanical evolution/degradation.

  11. Matching pre-equilibrium dynamics and viscous hydrodynamics

    SciTech Connect (OSTI)

    Martinez, Mauricio; Strickland, Michael

    2010-02-15

    We demonstrate how to match pre-equilibrium dynamics of a 0+1-dimensional quark-gluon plasma to second-order viscous hydrodynamical evolution. The matching allows us to specify the initial values of the energy density and shear tensor at the initial time of hydrodynamical evolution as a function of the lifetime of the pre-equilibrium period. We compare two models for pre-equilibrium quark-gluon plasma, longitudinal free streaming and collisionally broadened longitudinal expansion, and present analytic formulas that can be used to fix the necessary components of the energy-momentum tensor. The resulting dynamical models can be used to assess the effect of pre-equilibrium dynamics on quark-gluon plasma observables. Additionally, we investigate the dependence of entropy production on pre-equilibrium dynamics and discuss the limitations of the standard definitions of nonequilibrium entropy.

  12. Nanoparticle generation and transport resulting from femtosecond laser ablation of ultrathin metal films: Time-resolved measurements and molecular dynamics simulations

    SciTech Connect (OSTI)

    Rouleau, C. M. Puretzky, A. A.; Geohegan, D. B.; Shih, C.-Y.; Wu, C.; Zhigilei, L. V.

    2014-05-12

    The synthesis of metal nanoparticles by ultrafast laser ablation of nanometers-thick metal films has been studied experimentally and computationally. Near-threshold backside laser ablation of 2–20 nm-thick Pt films deposited on fused silica substrates was found to produce nanoparticles with size distributions that were bimodal for the thicker films, but collapsed into a single mode distribution for the thinnest film. Time-resolved imaging of blackbody emission from the Pt nanoparticles was used to reveal the nanoparticle propagation dynamics and estimate their temperatures. The observed nanoparticle plume was compact and highly forward-directed with a well-defined collective velocity that permitted multiple rebounds with substrates to be revealed. Large-scale molecular dynamics simulations were used to understand the evolution of compressive and tensile stresses in the thicker melted liquid films that lead to their breakup and ejection of two groups of nanoparticles with different velocity and size distributions. Ultrafast laser irradiation of ultrathin (few nm) metal films avoids the splitting of the film and appears to be a method well-suited to cleanly synthesize and deposit nanoparticles from semitransparent thin film targets in highly directed beams.

  13. Live Cells as Dynamic Laboratories: Time Lapse Raman Spectral Microscopy of Nanoparticles with Both IgE Targeting and pH-Sensing Functions

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

    Nowak-Lovato, Kristy L.; Rector, Kirk D.

    2012-01-01

    Tmore » his review captures the use of live cells as dynamic microlaboratories through implementation of labeled nanoparticles (nanosensors) that have both sensing and targeting functions.he addition of 2,4-ε-dinitrophenol-L-lysine (DNP) as a FcεRI targeting ligand and 4-mercaptopyridine (4-MPy) as a pH-sensing ligand enables spatial and temporal monitoring of FcεRI receptors and their pH environment within the endocytic pathway.o ensure reliability, the sensor is calibrated in vivo using the ionophore nigericin and standard buffer solutions to equilibrate the external [ H + ] concentration with that of the cell compartments.his review highlights the nanosensors, ability to traffic and respond to pH of receptor-bound nanosensors (1) at physiological temperature ( 37 ° C ) versus room temperature ( 25 ° C ) , (2) after pharmacological treatment with bafilomycin, an H + ATPase pump inhibitor, or amiloride, an inhibitor of Na + / H + exchange, and (3) in response to both temperature and pharmacological treatment. Whole-cell, time lapse images are demonstrated to show the ability to transform live cells into dynamic laboratories to monitor temporal and spatial endosomal pH.he versatility of these probes shows promise for future applications relevant to intracellular trafficking and intelligent drug design.« less

  14. Expansion analyses of strategic petroleum reserve in Bayou Choctaw : revised locations.

    SciTech Connect (OSTI)

    Ehgartner, Brian L.; Park, Byoung Yoon

    2010-11-01

    This report summarizes a series of three-dimensional simulations for the Bayou Choctaw Strategic Petroleum Reserve. The U.S. Department of Energy plans to leach two new caverns and convert one of the existing caverns within the Bayou Choctaw salt dome to expand its petroleum reserve storage capacity. An existing finite element mesh from previous analyses is modified by changing the locations of two caverns. The structural integrity of the three expansion caverns and the interaction between all the caverns in the dome are investigated. The impacts of the expansion on underground creep closure, surface subsidence, infrastructure, and well integrity are quantified. Two scenarios were used for the duration and timing of workover conditions where wellhead pressures are temporarily reduced to atmospheric pressure. The three expansion caverns are predicted to be structurally stable against tensile failure for both scenarios. Dilatant failure is not expected within the vicinity of the expansion caverns. Damage to surface structures is not predicted and there is not a marked increase in surface strains due to the presence of the three expansion caverns. The wells into the caverns should not undergo yield. The results show that from a structural viewpoint, the locations of the two newly proposed expansion caverns are acceptable, and all three expansion caverns can be safely constructed and operated.

  15. Improving Power System Modeling. A Tool to Link Capacity Expansion and Production Cost Models

    SciTech Connect (OSTI)

    Diakov, Victor; Cole, Wesley; Sullivan, Patrick; Brinkman, Gregory; Margolis, Robert

    2015-11-01

    Capacity expansion models (CEM) provide a high-level long-term view at the prospects of the evolving power system. In simulating the possibilities of long-term capacity expansion, it is important to maintain the viability of power system operation in the short-term (daily, hourly and sub-hourly) scales. Production-cost models (PCM) simulate routine power system operation on these shorter time scales using detailed load, transmission and generation fleet data by minimizing production costs and following reliability requirements. When based on CEM 'predictions' about generating unit retirements and buildup, PCM provide more detailed simulation for the short-term system operation and, consequently, may confirm the validity of capacity expansion predictions. Further, production cost model simulations of a system that is based on capacity expansion model solution are 'evolutionary' sound: the generator mix is the result of logical sequence of unit retirement and buildup resulting from policy and incentives. The above has motivated us to bridge CEM with PCM by building a capacity expansion - to - production cost model Linking Tool (CEPCoLT). The Linking Tool is built to onset capacity expansion model prescriptions onto production cost model inputs. NREL's ReEDS and Energy Examplar's PLEXOS are the capacity expansion and the production cost models, respectively. Via the Linking Tool, PLEXOS provides details of operation for the regionally-defined ReEDS scenarios.

  16. Unmanned Aerial Vehicle (UAV) Dynamic-Tracking Directional Wireless Antennas for Low Powered Applications that Require Reliable Extended Range Operations in Time Critical Scenarios

    SciTech Connect (OSTI)

    Scott G. Bauer; Matthew O. Anderson; James R. Hanneman

    2005-10-01

    The proven value of DOD Unmanned Aerial Vehicles (UAVs) will ultimately transition to National and Homeland Security missions that require real-time aerial surveillance, situation awareness, force protection, and sensor placement. Public services first responders who routinely risk personal safety to assess and report a situation for emergency actions will likely be the first to benefit from these new unmanned technologies. ‘Packable’ or ‘Portable’ small class UAVs will be particularly useful to the first responder. They require the least amount of training, no fixed infrastructure, and are capable of being launched and recovered from the point of emergency. All UAVs require wireless communication technologies for real- time applications. Typically on a small UAV, a low bandwidth telemetry link is required for command and control (C2), and systems health monitoring. If the UAV is equipped with a real-time Electro-Optical or Infrared (EO/Ir) video camera payload, a dedicated high bandwidth analog/digital link is usually required for reliable high-resolution imagery. In most cases, both the wireless telemetry and real-time video links will be integrated into the UAV with unity gain omni-directional antennas. With limited on-board power and payload capacity, a small UAV will be limited with the amount of radio-frequency (RF) energy it transmits to the users. Therefore, ‘packable’ and ‘portable’ UAVs will have limited useful operational ranges for first responders. This paper will discuss the limitations of small UAV wireless communications. The discussion will present an approach of utilizing a dynamic ground based real-time tracking high gain directional antenna to provide extend range stand-off operation, potential RF channel reuse, and assured telemetry and data communications from low-powered UAV deployed wireless assets.

  17. Climate Science: Tropical Expansion by Ocean Swing

    SciTech Connect (OSTI)

    Lu, Jian

    2014-04-01

    The tropical belt has become wider over the past decades, but climate models fall short of capturing the full rate of the expansion. The latest analysis of the climate simulations suggests that a long-term swing of the Pacific Decadal Oscillation is the main missing cause.

  18. Natural Gas Pipeline and System Expansions

    Reports and Publications (EIA)

    1997-01-01

    This special report examines recent expansions to the North American natural gas pipeline network and the nature and type of proposed pipeline projects announced or approved for construction during the next several years in the United States. It includes those projects in Canada and Mexico that tie in with U.S. markets or projects.

  19. Resonant state expansion of the resolvent

    SciTech Connect (OSTI)

    Berggren, T.; Lind, P. )

    1993-02-01

    An analytic method of generating resonant state expansions from the standard completeness relation of nonrelativistic quantum mechanics is described and shown to reproduce the generalized completeness relations, earlier derived, involving resonant states. The method is then applied to the expansion of the resolvent (the complete Green's function), the symmetry properties of which [ital seem] to be destroyed if a conventional application of the completeness relations is made. These forms of expansions have a continuum term which contains symmetry-restoring contributions and can therefore never vanish identically, nor can it be neglected. The symmetry-conserving form of the expansion has a set of discrete terms which are identical in form to those of the Mittag-Leffler series for the resolvent. In addition, it contains a continuum contribution which in some cases vanishes identically, but in general does not. We illustrate these findings with numerical applictions in which the potential (a square well) is chosen so as to permit analytic evaluation of practically all functions and quantities involved.

  20. 216-B-3 expansion ponds closure plan

    SciTech Connect (OSTI)

    Not Available

    1994-10-01

    This document describes the activities for clean closure under the Resource Conservation and Recovery Act of 1976 (RCRA) of the 216-B-3 Expansion Ponds. The 216-B-3 Expansion Ponds are operated by the US Department of Energy, Richland Operations Office (DOE-RL) and co-operated by Westinghouse Hanford Company (Westinghouse Hanford). The 216-B-3 Expansion Ponds consists of a series of three earthen, unlined, interconnected ponds that receive waste water from various 200 East Area operating facilities. The 3A, 3B, and 3C ponds are referred to as Expansion Ponds because they expanded the capability of the B Pond System. Waste water (primarily cooling water, steam condensate, and sanitary water) from various 200 East Area facilities is discharged to the Bypass pipe (Project X-009). Water discharged to the Bypass pipe flows directly into the 216-B-3C Pond. The ponds were operated in a cascade mode, where the Main Pond overflowed into the 3A Pond and the 3A Pond overflowed into the 3C Pond. The 3B Pond has not received waste water since May 1985; however, when in operation, the 3B Pond received overflow from the 3A Pond. In the past, waste water discharges to the Expansion Ponds had the potential to have contained mixed waste (radioactive waste and dangerous waste). The radioactive portion of mixed waste has been interpreted by the US Department of Energy (DOE) to be regulated under the Atomic Energy Act of 1954; the dangerous waste portion of mixed waste is regulated under RCRA.

  1. Nonequilibrium critical relaxation of structurally disordered systems in the short-time regime: Renormalization group description and computer simulation

    SciTech Connect (OSTI)

    Prudnikov, V. V. Prudnikov, P. V.; Kalashnikov, I. A.; Rychkov, M. V.

    2010-02-15

    The influence of nonequilibrium initial states on the evolution of anisotropic systems with quenched uncorrelated structural defects at the critical point is studied. The field-theoretical description of the nonequilibrium critical behavior of 3D systems is obtained for the first time, and the dynamic critical exponent of the short-time evolution in the two-loop approximation without the use of {epsilon} expansion is calculated. The values of dynamic critical exponents calculated using the series resummation methods are compared with the results of computer simulation of nonequilibrium critical behavior of the 3D disordered Ising model in the short-time regime. It is demonstrated that the values of the critical exponents calculated in this paper are in better agreement with the results of computer simulation than the results of application of {epsilon} expansion.

  2. Cosmology with hybrid expansion law: scalar field reconstruction of cosmic history and observational constraints

    SciTech Connect (OSTI)

    Akarsu, Özgür; Kumar, Suresh; Myrzakulov, R.; Sami, M.; Xu, Lixin E-mail: sukuyd@gmail.com E-mail: samijamia@gmail.com

    2014-01-01

    In this paper, we consider a simple form of expansion history of Universe referred to as the hybrid expansion law - a product of power-law and exponential type of functions. The ansatz by construction mimics the power-law and de Sitter cosmologies as special cases but also provides an elegant description of the transition from deceleration to cosmic acceleration. We point out the Brans-Dicke realization of the cosmic history under consideration. We construct potentials for quintessence, phantom and tachyon fields, which can give rise to the hybrid expansion law in general relativity. We investigate observational constraints on the model with hybrid expansion law applied to late time acceleration as well as to early Universe a la nucleosynthesis.

  3. Frostless heat pump having thermal expansion valves

    DOE Patents [OSTI]

    Chen, Fang C.; Mei, Viung C.

    2002-10-22

    A heat pump system having an operable relationship for transferring heat between an exterior atmosphere and an interior atmosphere via a fluid refrigerant and further having a compressor, an interior heat exchanger, an exterior heat exchanger, a heat pump reversing valve, an accumulator, a thermal expansion valve having a remote sensing bulb disposed in heat transferable contact with the refrigerant piping section between said accumulator and said reversing valve, an outdoor temperature sensor, and a first means for heating said remote sensing bulb in response to said outdoor temperature sensor thereby opening said thermal expansion valve to raise suction pressure in order to mitigate defrosting of said exterior heat exchanger wherein said heat pump continues to operate in a heating mode.

  4. Locally-smeared operator product expansions

    SciTech Connect (OSTI)

    Monahan, Christopher; Orginos, Kostantinos

    2014-12-01

    We propose a "locally-smeared Operator Product Expansion" (sOPE) to decompose non-local operators in terms of a basis of locally-smeared operators. The sOPE formally connects nonperturbative matrix elements of smeared degrees of freedom, determined numerically using the gradient flow, to non-local operators in the continuum. The nonperturbative matrix elements do not suffer from power-divergent mixing on the lattice, provided the smearing scale is kept fixed in the continuum limit. The presence of this smearing scale prevents a simple connection to the standard operator product expansion and therefore requires the construction of a two-scale formalism. We demonstrate the feasibility of our approach using the example of real scalar field theory.

  5. Derivative expansion of the effective action

    SciTech Connect (OSTI)

    Cheyette, O.

    1987-04-01

    This paper describes some methods for calculating derivative terms in the one loop effective action for a quantum field theory. The functional approach and background field method are first used to derive the general form of the one loop determinant. Then the determinant is expanded in powers of derivatives of the background fields. The form of this expansion is described for the simple case of an interacting scalar field, and then for the more complicated problem of a non-abelian gauge field. Finally, the expansion is applied to the task of calculating Higgs mass dependent effects in the Glashow-Weinberg-Salam model, and all terms which grow with the Higgs mass M/sub H/ are found in the one loop approximation. The result of this calculation is used to find the dependence of the gauge boson mass ratio rho on M/sub H/, and also to estimate the size of corrections to W and Z scattering theorems.

  6. Low thermal expansion seal ring support

    DOE Patents [OSTI]

    Dewis, David W.; Glezer, Boris

    2000-01-01

    Today, the trend is to increase the temperature of operation of gas turbine engines. To cool the components with compressor discharge air, robs air which could otherwise be used for combustion and creates a less efficient gas turbine engine. The present low thermal expansion sealing ring support system reduces the quantity of cooling air required while maintaining life and longevity of the components. Additionally, the low thermal expansion sealing ring reduces the clearance "C","C'" demanded between the interface between the sealing surface and the tip of the plurality of turbine blades. The sealing ring is supported by a plurality of support members in a manner in which the sealing ring and the plurality of support members independently expand and contract relative to each other and to other gas turbine engine components.

  7. Pole EXpansion and Selected Inversion (PEXSI)

    Energy Science and Technology Software Center (OSTI)

    2014-03-01

    The Pole EXpansion and Selected Inversion method (PEXSI) is a fast method for evaluating certain selected elements of a matrix function. PEXSI is highly scalable on distributed memory parallel machines. For sparse matrices, the PEXSI method can be more efficient than the widely used diagonalization method for evaluating matrix functions, especially when a relatively large number of eigenpairs are needed to be computed in the diagonalization methond

  8. Frequency dependent thermal expansion in binary viscoelasticcomposites

    SciTech Connect (OSTI)

    Berryman, James G.

    2007-12-01

    The effective thermal expansion coefficient beta* of abinary viscoelastic composite is shown to be frequency dependent even ifthe thermal expansion coefficients beta A and beta B of both constituentsare themselves frequency independent. Exact calculations for binaryviscoelastic systems show that beta* is related to constituent valuesbeta A, beta B, volume fractions, and bulk moduli KA, KB, as well as tothe overall bulk modulus K* of the composite system. Then, beta* isdetermined for isotropic systems by first bounding (or measuring) K* andtherefore beta*. For anisotropic systems with hexagonal symmetry, theprincipal values of the thermal expansion beta*perp and beta*para can bedetermined exactly when the constituents form a layered system. In allthe examples studied, it is shown explicitly that the eigenvectors of thethermoviscoelastic system possess non-negative dissipation -- despite thecomplicated analytical behavior of the frequency dependent thermalexpansivities themselves. Methods presented have a variety ofapplications from fluid-fluid mixtures to fluid-solid suspensions, andfrom fluid-saturated porous media to viscoelastic solid-solidcomposites.

  9. Uncertainty Quantification in CO{sub 2} Sequestration Using Surrogate Models from Polynomial Chaos Expansion

    SciTech Connect (OSTI)

    Zhang, Yan; Sahinidis, Nikolaos V.

    2013-04-06

    In this paper, surrogate models are iteratively built using polynomial chaos expansion (PCE) and detailed numerical simulations of a carbon sequestration system. Output variables from a numerical simulator are approximated as polynomial functions of uncertain parameters. Once generated, PCE representations can be used in place of the numerical simulator and often decrease simulation times by several orders of magnitude. However, PCE models are expensive to derive unless the number of terms in the expansion is moderate, which requires a relatively small number of uncertain variables and a low degree of expansion. To cope with this limitation, instead of using a classical full expansion at each step of an iterative PCE construction method, we introduce a mixed-integer programming (MIP) formulation to identify the best subset of basis terms in the expansion. This approach makes it possible to keep the number of terms small in the expansion. Monte Carlo (MC) simulation is then performed by substituting the values of the uncertain parameters into the closed-form polynomial functions. Based on the results of MC simulation, the uncertainties of injecting CO{sub 2} underground are quantified for a saline aquifer. Moreover, based on the PCE model, we formulate an optimization problem to determine the optimal CO{sub 2} injection rate so as to maximize the gas saturation (residual trapping) during injection, and thereby minimize the chance of leakage.

  10. Expansion/De-expansion Tool to Quantify the Accuracy of Prostate Contours

    SciTech Connect (OSTI)

    Chung, Eugene; Stenmark, Matthew H.; Evans, Cheryl; Narayana, Vrinda; McLaughlin, Patrick W.

    2012-05-01

    Purpose: Accurate delineation of the prostate gland on computed tomography (CT) remains a persistent challenge and continues to introduce geometric uncertainty into the planning and delivery of external beam radiotherapy. We, therefore, developed an expansion/de-expansion tool to quantify the contour errors and determine the location of the deviations. Methods and Materials: A planning CT scan and magnetic resonance imaging scan were prospectively acquired for 10 patients with prostate cancer. The prostate glands were contoured by 3 independent observers using the CT data sets with instructions to contour the prostate without underestimation but to minimize overestimation. The standard prostate for each patient was defined using magnetic resonance imaging and CT on multiple planes. After registration of the CT and magnetic resonance imaging data sets, the CT-defined prostates were scored for accuracy. The contours were defined as ideal if they were within a 2.5-mm expansion of the standard without underestimation, acceptable if they were within a 5.0-mm expansion and a 2.5-mm de-expansion, and unacceptable if they extended >5.0 mm or underestimated the prostate by >2.5 mm. Results: A total of 636 CT slices were individually analyzed, with the vast majority scored as ideal or acceptable. However, none of the 30 prostate contour sets had all the contours scored as ideal or acceptable. For all 3 observers, the unacceptable contours were more likely from underestimation than overestimation of the prostate. The errors were more common at the base and apex than the mid-gland. Conclusions: The expansion/de-expansion tool allows for directed feedback on the location of contour deviations, as well as the determination of over- or underestimation of the prostate. This metric might help improve the accuracy of prostate contours.

  11. Expansion of DOE-DOT Tight Oil Research Work

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

    Expansion of DOE-DOT Tight Oil Research Work - Sandia Energy Energy Search Icon Sandia ... Twitter Google + Vimeo Newsletter Signup SlideShare Expansion of DOE-DOT Tight Oil ...

  12. Construction Begins on the Expansion of the EMWMF | Department...

    Energy Savers [EERE]

    Construction Begins on the Expansion of the EMWMF Construction Begins on the Expansion of the EMWMF July 22, 2009 - 12:00pm Addthis OAK RIDGE, Tenn. - Construction of a 35 ...

  13. Expansion-loop enclosure resolves subsea line problems

    SciTech Connect (OSTI)

    Rich, S.K.; Alleyne, A.G.

    1998-08-03

    Recent design and construction of a Gulf of Mexico subsea pipeline illustrate the use of buried, enclosed expansion loops to resolve problems from expansion and upheaval buckling. Buried, subsea pipelines operating at high temperatures and pressures experience extreme compressive loads caused by the axial restraint of the soil. The high axial forces combined with imperfections in the seabed may overstress the pipeline or result in upheaval buckling. Typically, expansion loops, or doglegs, are installed to protect the pipeline risers from expansion and to alleviate axial forces. Buried expansion loops, however, are rendered virtually ineffective by the lateral restraint of the soil. Alternative methods to reduce expansion may increase the potential of upheaval buckling or overstressing the pipeline. Therefore, system design must consider expansion and upheaval buckling together. Discussed here are methods of prevention and control of expansion and upheaval buckling, evaluating the impact on the overall system.

  14. The curious case of large-N expansions on a (pseudo)sphere

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

    Polyakov, Alexander M.; Saleem, Zain H.; Stokes, James

    2015-02-03

    We elucidate the large-N dynamics of one-dimensional sigma models with spherical and hyperbolic target spaces and find a duality between the Lagrange multiplier and the angular momentum. In the hyperbolic model we propose a new class of operators based on the irreducible representations of hyperbolic space. We also uncover unexpected zero modes which lead to the double scaling of the 1/N expansion and explore these modes using Gelfand-Dikiy equations.

  15. Fission gas retention and axial expansion of irradiated metallic fuel

    SciTech Connect (OSTI)

    Fenske, G.R.; Emerson, J.E.; Savoie, F.E.; Johanson, E.W.

    1986-05-01

    Out-of-reactor experiments utilizing direct electrical heating and infrared heating techniques were performed on irradiated metallic fuel. The results indicate accelerated expansion can occur during thermal transients and that the accelerated expansion is driven by retained fission gases. The results also demonstrate gas retention and, hence, expansion behavior is a function of axial position within the pin.

  16. Diamond Shamrock nears completion of major expansions

    SciTech Connect (OSTI)

    True, W.R.

    1993-05-24

    With completion later this year of a second refined products line into Colorado, Diamond Shamrock Inc., San Antonio, will have added more than 600 miles of product and crude-oil pipeline on its system and expanded charge and production capacities at its two state-of-the-art refineries, all within 30 months. The projects aim at improving the company's ability to serve markets in the U.S. Southwest and increasing capacities and flexibility at its two refineries. The paper describes these projects under the following headings: new products service; another new line; and refineries, crude pipelines; Three Rivers expansion and Supplies for McKee.

  17. Lattice-structures and constructs with designed thermal expansion coefficients

    DOE Patents [OSTI]

    Spadaccini, Christopher; Hopkins, Jonathan

    2014-10-28

    A thermal expansion-managed lattice structure having a plurality of unit cells each having flexure bearing-mounted tabs supported on a base and actuated by thermal expansion of an actuator having a thermal expansion coefficient greater than the base and arranged so that the tab is inwardly displaced into a base cavity. The flexure bearing-mounted tabs are connected to other flexure-bearing-mounted tabs of adjacent unit cells so that the adjacent unit cells are spaced from each other to accommodate thermal expansion of individual unit cells while maintaining a desired bulk thermal expansion coefficient of the lattice structure as a whole.

  18. Does fluoride disrupt hydrogen bond network in cationic lipid bilayer? Time-dependent fluorescence shift of Laurdan and molecular dynamics simulations

    SciTech Connect (OSTI)

    Pokorna, Sarka; Jurkiewicz, Piotr; Hof, Martin; Vazdar, Mario; Cwiklik, Lukasz; Jungwirth, Pavel

    2014-12-14

    Time-dependent fluorescence shift (TDFS) of Laurdan embedded in phospholipid bilayers reports on hydration and mobility of the phospholipid acylgroups. Exchange of H{sub 2}O with D{sub 2}O prolongs the lifetime of lipid-water and lipid-water-lipid interactions, which is reflected in a significantly slower TDFS kinetics. Combining TDFS measurements in H{sub 2}O and D{sub 2}O hydrated bilayers with atomistic molecular dynamics (MD) simulations provides a unique tool for characterization of the hydrogen bonding at the acylgroup level of lipid bilayers. In this work, we use this approach to study the influence of fluoride anions on the properties of cationic bilayers composed of trimethylammonium-propane (DOTAP). The results obtained for DOTAP are confronted with those for neutral phosphatidylcholine (DOPC) bilayers. Both in DOTAP and DOPC H{sub 2}O/D{sub 2}O exchange prolongs hydrogen-bonding lifetime and does not disturb bilayer structure. These results are confirmed by MD simulations. TDFS experiments show, however, that for DOTAP this effect is cancelled in the presence of fluoride ions. We interpret these results as evidence that strongly hydrated fluoride is able to steal water molecules that bridge lipid carbonyls. Consequently, when attracted to DOTAP bilayer, fluoride disrupts the local hydrogen-bonding network, and the differences in TDFS kinetics between H{sub 2}O and D{sub 2}O hydrated bilayers are no longer observed. A distinct behavior of fluoride is also evidenced by MD simulations, which show different lipid-ion binding for Cl{sup −} and F{sup −}.

  19. Transmission network expansion planning with simulation optimization

    SciTech Connect (OSTI)

    Bent, Russell W; Berscheid, Alan; Toole, G. Loren

    2010-01-01

    Within the electric power literatW''e the transmi ssion expansion planning problem (TNEP) refers to the problem of how to upgrade an electric power network to meet future demands. As this problem is a complex, non-linear, and non-convex optimization problem, researchers have traditionally focused on approximate models. Often, their approaches are tightly coupled to the approximation choice. Until recently, these approximations have produced results that are straight-forward to adapt to the more complex (real) problem. However, the power grid is evolving towards a state where the adaptations are no longer easy (i.e. large amounts of limited control, renewable generation) that necessitates new optimization techniques. In this paper, we propose a generalization of the powerful Limited Discrepancy Search (LDS) that encapsulates the complexity in a black box that may be queJied for information about the quality of a proposed expansion. This allows the development of a new optimization algOlitlun that is independent of the underlying power model.

  20. On the binary expansions of algebraic numbers

    SciTech Connect (OSTI)

    Bailey, David H.; Borwein, Jonathan M.; Crandall, Richard E.; Pomerance, Carl

    2003-07-01

    Employing concepts from additive number theory, together with results on binary evaluations and partial series, we establish bounds on the density of 1's in the binary expansions of real algebraic numbers. A central result is that if a real y has algebraic degree D > 1, then the number {number_sign}(|y|, N) of 1-bits in the expansion of |y| through bit position N satisfies {number_sign}(|y|, N) > CN{sup 1/D} for a positive number C (depending on y) and sufficiently large N. This in itself establishes the transcendency of a class of reals {summation}{sub n{ge}0} 1/2{sup f(n)} where the integer-valued function f grows sufficiently fast; say, faster than any fixed power of n. By these methods we re-establish the transcendency of the Kempner--Mahler number {summation}{sub n{ge}0}1/2{sup 2{sup n}}, yet we can also handle numbers with a substantially denser occurrence of 1's. Though the number z = {summation}{sub n{ge}0}1/2{sup n{sup 2}} has too high a 1's density for application of our central result, we are able to invoke some rather intricate number-theoretical analysis and extended computations to reveal aspects of the binary structure of z{sup 2}.

  1. Convex relaxations for gas expansion planning

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

    Borraz-Sanchez, Conrado; Bent, Russell Whitford; Backhaus, Scott N.; Hijazi, Hassan; Van Hentenryck, Pascal

    2016-01-01

    Expansion of natural gas networks is a critical process involving substantial capital expenditures with complex decision-support requirements. Here, given the non-convex nature of gas transmission constraints, global optimality and infeasibility guarantees can only be offered by global optimisation approaches. Unfortunately, state-of-the-art global optimisation solvers are unable to scale up to real-world size instances. In this study, we present a convex mixed-integer second-order cone relaxation for the gas expansion planning problem under steady-state conditions. The underlying model offers tight lower bounds with high computational efficiency. In addition, the optimal solution of the relaxation can often be used to derive high-quality solutionsmore » to the original problem, leading to provably tight optimality gaps and, in some cases, global optimal solutions. The convex relaxation is based on a few key ideas, including the introduction of flux direction variables, exact McCormick relaxations, on/off constraints, and integer cuts. Numerical experiments are conducted on the traditional Belgian gas network, as well as other real larger networks. The results demonstrate both the accuracy and computational speed of the relaxation and its ability to produce high-quality solution« less

  2. Convex relaxations for gas expansion planning

    SciTech Connect (OSTI)

    Borraz-Sanchez, Conrado; Bent, Russell Whitford; Backhaus, Scott N.; Hijazi, Hassan; Van Hentenryck, Pascal

    2016-01-01

    Expansion of natural gas networks is a critical process involving substantial capital expenditures with complex decision-support requirements. Here, given the non-convex nature of gas transmission constraints, global optimality and infeasibility guarantees can only be offered by global optimisation approaches. Unfortunately, state-of-the-art global optimisation solvers are unable to scale up to real-world size instances. In this study, we present a convex mixed-integer second-order cone relaxation for the gas expansion planning problem under steady-state conditions. The underlying model offers tight lower bounds with high computational efficiency. In addition, the optimal solution of the relaxation can often be used to derive high-quality solutions to the original problem, leading to provably tight optimality gaps and, in some cases, global optimal solutions. The convex relaxation is based on a few key ideas, including the introduction of flux direction variables, exact McCormick relaxations, on/off constraints, and integer cuts. Numerical experiments are conducted on the traditional Belgian gas network, as well as other real larger networks. The results demonstrate both the accuracy and computational speed of the relaxation and its ability to produce high-quality solution

  3. Optical Fiber Sensors For Monitoring Joint Articulation And Chest Expansion Of A Human Body

    DOE Patents [OSTI]

    Muhs, Jeffrey D.; Allison, Stephen W.

    1997-12-23

    Fiber-optic sensors employing optical fibers of elastomeric material are incorporated in devices adapted to be worn by human beings in joint and chest regions for the purpose of monitoring and measuring the extent of joint articulation and chest expansion especially with respect to time.

  4. Ultracold plasma expansion as a function of charge neutrality

    SciTech Connect (OSTI)

    Witte, Craig; Roberts, Jacob L.

    2014-10-15

    Ultracold plasmas (UCPs) are created under conditions of near but not perfect neutrality. In the limit of zero electron temperature, electron screening results in non-neutrality manifesting itself as an interior region of the UCP with both electrons and ions and an exterior region composed primarily of ions. The interior region is the region of the most scientific interest for 2-component ultracold plasma physics. This work presents a theoretical model through which the time evolution of non-neutral UCPs is calculated. Despite Debye screening lengths much smaller than the characteristic plasma spatial size, model calculations predict that the expansion rate and the electron temperature of the UCP interior is sensitive to the neutrality of the UCP. The predicted UCP dependence on neutrality has implications for the correct measurement of several UCP properties, such as electron temperature, and a proper understanding of evaporative cooling of the electrons in the UCP.

  5. Heavy oil expansions gather momentum worldwide

    SciTech Connect (OSTI)

    Moritis, G.

    1995-08-14

    Cold production, wormholes, foamy oil mechanism, improvements in thermal methods, and horizontal wells are some of the processes and technologies enabling expansion of the world`s heavy oil/bitumen production. Such processes were the focus of the International Heavy Oil Symposium in Calgary, June 19--21. Unlike conventional oil production, heavy oil/bitumen extraction is more a manufacturing process where technology enables the business and does not just add value. The current low price spreads between heavy oil/light oil indicate that demand for heavy oil is high. The paper first discusses the price difference between heavy and light oils, then describes heavy oil production activities in Canada at Cold Lake, in Venezuela in the Orinoco belt, and at Kern River in California.

  6. Prolate spheroidal harmonic expansion of gravitational field

    SciTech Connect (OSTI)

    Fukushima, Toshio

    2014-06-01

    As a modification of the oblate spheroidal case, a recursive method is developed to compute the point value and a few low-order derivatives of the prolate spheroidal harmonics of the second kind, Q{sub nm} (y), namely the unnormalized associated Legendre function (ALF) of the second kind with its argument in the domain, 1 < y < ∞. They are required in evaluating the prolate spheroidal harmonic expansion of the gravitational field in addition to the point value and the low-order derivatives of P-bar {sub nm}(t), the 4π fully normalized ALF of the first kind with its argument in the domain, |t| ≤ 1. The new method will be useful in the gravitational field computation of elongated celestial objects.

  7. Thermal expansion recovery microscopy: Practical design considerations

    SciTech Connect (OSTI)

    Mingolo, N. Martnez, O. E.

    2014-01-15

    A detailed study of relevant parameters for the design and operation of a photothermal microscope technique recently introduced is presented. The technique, named thermal expansion recovery microscopy (ThERM) relies in the measurement of the defocusing introduced by a surface that expands and recovers upon the heating from a modulated source. A new two lens design is presented that can be easily adapted to commercial infinite conjugate microscopes and the sensitivity to misalignment is analyzed. The way to determine the beam size by means of a focus scan and the use of that same scan to verify if a thermoreflectance signal is overlapping with the desired ThERM mechanism are discussed. Finally, a method to cancel the thermoreflectance signal by an adequate choice of a nanometric coating is presented.

  8. Ultrafast free-carrier dynamics in Cu{sub 2}ZnSnS{sub 4} single crystals studied using femtosecond time-resolved optical spectroscopy

    SciTech Connect (OSTI)

    Phuong, L. Q.; Kanemitsu, Y.; Okano, M.; Yamada, Y.; Yamashita, G.; Morimoto, T.; Nagai, M.; Ashida, M.; Nagaoka, A.; Yoshino, K.

    2014-12-08

    We studied the dynamics of photogenerated carriers in Cu{sub 2}ZnSnS{sub 4} (CZTS) single crystals using femtosecond transient reflectivity (TR) and optical pump-THz probe transient absorption (THz-TA) spectroscopy. The TR and THz-TA decay dynamics consistently showed that free carriers have long lifetimes of up to a few nanoseconds. The excitation-photon-energy-dependent TR measurements revealed a slow picosecond energy relaxation of free carriers to the band edge in CZTS. The relaxation and recombination dynamics of free carriers were affected by nonradiative recombinations at the surface. Our results revealed a global feature of energy relaxation and recombination processes of free carriers in CZTS single crystals.

  9. CX: Categorical Determination-Alcoa Tennessee Automotive Sheet Expansion

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

    Project | Department of Energy CX: Categorical Determination-Alcoa Tennessee Automotive Sheet Expansion Project CX: Categorical Determination-Alcoa Tennessee Automotive Sheet Expansion Project Categorical Determination Alcoa Tennessee Automotive Sheet Expansion Project CX(s) Applied: B1.31 Date: 05/06/2014 Location(s): Alcoa, Tennessee Offices(s): Loan Programs Office More Documents & Publications CX-012188: Categorical Exclusion Determination CX-012189: Categorical Exclusion

  10. Energy Department to Highlight Expansion of Minorities in Energy Initiative

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

    at First Anniversary Forum | Department of Energy Highlight Expansion of Minorities in Energy Initiative at First Anniversary Forum Energy Department to Highlight Expansion of Minorities in Energy Initiative at First Anniversary Forum November 13, 2014 - 3:00pm Addthis Media Contact 202-586-4940 Energy Department to Highlight Expansion of Minorities in Energy Initiative at First Anniversary Forum WASHINGTON- On Tuesday, November 18, Energy Secretary Ernest Moniz will gather stakeholders from

  11. January 16, 2009: Expansion of Spallation Neutron Source | Department of

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

    Energy 16, 2009: Expansion of Spallation Neutron Source January 16, 2009: Expansion of Spallation Neutron Source January 16, 2009: Expansion of Spallation Neutron Source January 16, 2009 The Department gives its initial approval to begin plans for the Oak Ridge National Laboratory (ORNL) to build a second target station for the Spallation Neutron Source, expanding what is already the world's most powerful pulsed neutron scattering facility. The new station, which will cost approximately $1

  12. DOE Announces Expansion and Solicitation for Entrepreneur in Residence

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

    Program | Department of Energy Expansion and Solicitation for Entrepreneur in Residence Program DOE Announces Expansion and Solicitation for Entrepreneur in Residence Program November 19, 2008 - 4:58pm Addthis Entrepreneurs Accelerate Deployment of Advanced Clean Energy Technologies from DOE's Labs to the Marketplace WASHINGTON - U.S. Department of Energy (DOE) Secretary Samuel W. Bodman today announced a competitive solicitation for five venture capital firms to participate in the expansion

  13. DOE Announces Major Expansion of Crowdsourcing Initiative for Building

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

    Technologies | Department of Energy Major Expansion of Crowdsourcing Initiative for Building Technologies DOE Announces Major Expansion of Crowdsourcing Initiative for Building Technologies April 12, 2016 - 1:30pm Addthis Join our online community to learn about industry challenges, share ideas, and discuss solutions. Join our online community to learn about industry challenges, share ideas, and discuss solutions. The U.S. Department of Energy today announced a major expansion of its

  14. Cluster expansion modeling and Monte Carlo simulation of alnico...

    Office of Scientific and Technical Information (OSTI)

    Accepted Manuscript: Cluster expansion modeling and Monte Carlo simulation of alnico 5-7 permanent magnets This content will become publicly available on March 5, 2016 Prev Next...

  15. Tanzania Energy Development and Access Expansion Project | Open...

    Open Energy Info (EERE)

    energy access expansion. The project is consistent with the latest Joint Assistance Strategy (2007-2010) by specifically supporting the goals of the Government's National...

  16. Heat Flow Database Expansion for NGDS Data Development, Collection...

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

    Heat Flow Database Expansion for NGDS Data Development, Collection and Maintenance (SMU) presentation at the April 2013 peer review meeting held in Denver, Colorado. blackwellsmu...

  17. Heat Flow Database Expansion for NGDS Data Development, Collection...

    Open Energy Info (EERE)

    Database Expansion for NGDS Data Development, Collection and Maintenance Geothermal Project Jump to: navigation, search Last modified on July 22, 2011. Project Title Heat Flow...

  18. Year-in-Review: 2011 Energy Infrastructure Events and Expansions...

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

    Year-in-Review: 2011 Energy Infrastructure Events and Expansions (April 2012) The 2011 Year-in-Review (YIR) provides a summary of significant energy disruptions and infrastructure ...

  19. Shearing expansion-free spherical anisotropic fluid evolution

    SciTech Connect (OSTI)

    Herrera, L.; Santos, N. O.; Wang Anzhong

    2008-10-15

    Spherically symmetric expansion-free distributions are systematically studied. The entire set of field equations and junction conditions are presented for a general distribution of dissipative anisotropic fluid (principal stresses unequal), and the expansion-free condition is integrated. In order to understand the physical meaning of expansion-free motion, two different definitions for the radial velocity of a fluid element are discussed. It is shown that the appearance of a cavity is inevitable in the expansion-free evolution. The nondissipative case is considered in detail, and the Skripkin model is recovered.

  20. Scalar and tensor spherical harmonics expansion of the velocity...

    Office of Scientific and Technical Information (OSTI)

    The representation theory of the rotation group is applied to construct a series expansion ... by anisotropic turbulence; representation theory parametrises this dependence by a tensor ...

  1. Load Expansion of Stoichiometric HCCI Using Spark Assist and...

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

    HCCI Using Spark Assist and Hydraulic Valve Actuation Load Expansion of Stoichiometric HCCI Using Spark Assist and Hydraulic Valve Actuation Presentation given at the 16th ...

  2. Load Expansion with Diesel/Gasoline RCCI for Improved Engine...

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

    Load Expansion with DieselGasoline RCCI for Improved Engine Efficiency and Emissions This poster will describe preliminary emission results of gasolinediesel RCCI in a ...

  3. Magnolia LNG and Lake Charles Expansion Projects Final Environmental...

    Office of Environmental Management (EM)

    Energy Regulatory Commission Office of Energy Projects Washington, DC 20426 Magnolia LNG and Lake Charles Expansion Projects Final Environmental Impact Statement Magnolia LNG, LLC ...

  4. Heat Flow Database Expansion for NGDS Data Development, Collection...

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

    Heat Flow Database Expansion for NGDS Data Development, Collection and Maintenance (SMU) ... not contain any proprietary Track Three - Data Project Team Members SMU - Siemens CT ...

  5. Expansion and Improvement of Solar Water Heating Technology in...

    Open Energy Info (EERE)

    and Improvement of Solar Water Heating Technology in China Project Management Office Jump to: navigation, search Name: Expansion and Improvement of Solar Water Heating Technology...

  6. PHOTOSPHERIC RADIUS EXPANSION IN SUPERBURST PRECURSORS FROM NEUTRON STARS

    SciTech Connect (OSTI)

    Keek, L.

    2012-09-10

    Thermonuclear runaway burning of carbon is in rare cases observed from accreting neutron stars as day-long X-ray flares called superbursts. In the few cases where the onset is observed, superbursts exhibit a short precursor burst at the start. In each instance, however, the data are of insufficient quality for spectral analysis of the precursor. Using data from the propane anti-coincidence detector of the Proportional Counter Array instrument on the Rossi X-ray Timing Explorer, we perform the first detailed time-resolved spectroscopy of precursors. For a superburst from 4U 1820-30 we demonstrate the presence of photospheric radius expansion. We find the precursor to be 1.4-2 times more energetic than other short bursts from this source, indicating that the burning of accreted helium is insufficient to explain the full precursor. Shock heating would be able to account for the shortfall in energy. We argue that this precursor is a strong indication that the superburst starts as a detonation, and that a shock induces the precursor. Furthermore, we employ our technique to study the superexpansion phase of the same superburst in greater detail.

  7. Combustion instabilities in sudden expansion oxy-fuel flames

    SciTech Connect (OSTI)

    Ditaranto, Mario; Hals, Joergen

    2006-08-15

    An experimental study on combustion instability is presented with focus on oxy-fuel type combustion. Oxidants composed of CO{sub 2}/O{sub 2} and methane are the reactants flowing through a premixer-combustor system. The reaction starts downstream a symmetric sudden expansion and is at the origin of different instability patterns depending on oxygen concentration and Reynolds number. The analysis has been conducted through measurement of pressure, CH* chemiluminescence, and velocity. As far as stability is concerned, oxy-fuel combustion with oxygen concentration similar to that found in air combustion cannot be sustained, but requires at least 30% oxygen to perform in a comparable manner. Under these conditions and for the sudden expansion configuration used in this study, the instability is at low frequency and low amplitude, controlled by the flame length inside the combustion chamber. Above a threshold concentration in oxygen dependent on equivalence ratio, the flame becomes organized and concentrated in the near field. Strong thermoacoustic instability is then triggered at characteristic acoustic modes of the system. Different modes can be triggered depending on the ratio of flame speed to inlet velocity, but for all types of instability encountered, the heat release and pressure fluctuations are linked by a variation in mass-flow rate. An acoustic model of the system coupled with a time-lag-based flame model made it possible to elucidate the acoustic mode selection in the system as a function of laminar flame speed and Reynolds number. The overall work brings elements of reflection concerning the potential risk of strong pressure oscillations in future gas turbine combustors for oxy-fuel gas cycles. (author)

  8. Temporal Characterization of Hydrates System Dynamics beneath Seafloor Mounds. Integrating Time-Lapse Electrical Resistivity Methods and In Situ Observations of Multiple Oceanographic Parameters

    SciTech Connect (OSTI)

    Lutken, Carol; Macelloni, Leonardo; D'Emidio, Marco; Dunbar, John; Higley, Paul

    2015-01-31

    This study was designed to investigate temporal variations in hydrate system dynamics by measuring changes in volumes of hydrate beneath hydrate-bearing mounds on the continental slope of the northern Gulf of Mexico, the landward extreme of hydrate occurrence in this region. Direct Current Resistivity (DCR) measurements were made contemporaneously with measurements of oceanographic parameters at Woolsey Mound, a carbonate-hydrate complex on the mid-continental slope, where formation and dissociation of hydrates are most vulnerable to variations in oceanographic parameters affected by climate change, and where changes in hydrate stability can readily translate to loss of seafloor stability, impacts to benthic ecosystems, and venting of greenhouse gases to the water-column, and eventually, the atmosphere. We focused our study on hydrate within seafloor mounds because the structurally-focused methane flux at these sites likely causes hydrate formation and dissociation processes to occur at higher rates than at sites where the methane flux is less concentrated and we wanted to maximize our chances of witnessing association/dissociation of hydrates. We selected a particularly well-studied hydrate-bearing seafloor mound near the landward extent of the hydrate stability zone, Woolsey Mound (MC118). This mid-slope site has been studied extensively and the project was able to leverage considerable resources from the team’s research experience at MC118. The site exhibits seafloor features associated with gas expulsion, hydrates have been documented at the seafloor, and changes in the outcropping hydrates have been documented, photographically, to have occurred over a period of months. We conducted observatory-based, in situ measurements to 1) characterize, geophysically, the sub-bottom distribution of hydrate and its temporal variability, and 2) contemporaneously record relevant environmental parameters (temperature, pressure, salinity, turbidity, bottom currents) to

  9. Dynamic EROI Assessment of the IPCC 21st Century Electricity Production Scenario

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

    Neumeyer, Charles; Goldston, Robert

    2016-04-28

    Abstract: The Energy Return on Investment (EROI) is an important measure of the energy gain of an electrical power generating facility that is typically evaluated based on the life cycle energy balance of a single facility. The EROI concept can be extended to cover a collection of facilities that comprise a complete power system and used to assess the expansion and evolution of a power system as it transitions from one portfolio mix of technologies to another over time. In this study we develop a dynamic EROI model that simulates the evolution of a power system and we perform anmore » EROI simulation of one of the electricity production scenarios developed under the auspices of the Intergovernmental Panel on Climate Change (IPCC) covering the global supply of electricity in the 21st century. Our analytic tool provides the means for evaluation of dynamic EROI based on arbitrary time-dependent demand scenarios by modeling the required expansion of power generation, including the plowback needed for new construction and to replace facilities as they are retired. The results provide insight into the level of installed and delivered power, above and beyond basic consumer demand, that is required to support construction during expansion, as well as the supplementary power that may be required if plowback constraints are imposed. In addition, sensitivity to EROI parameters, and the impact of energy storage efficiency are addressed.« less

  10. Environmental Assessment for the Terminal Expansion Project.

    SciTech Connect (OSTI)

    United States. Bonneville Power Administration.

    1985-02-01

    The Terminal Expansion Project is proposed by Bonneville Power Administration (BPA), Southern California Edison (SCE), and the Los Angeles Department of Water and Power (LADWP) to increase the operating capacity of the existing bipole direct current (dc) Intertie line between the Celilo Converter Station at The Dalles, Oregon, and the Sylmar converter Station at Sylmar, California. The proposal will allow a greater exchange of electric power between the Pacific Northwest (PNW) and Southern California without constructing new interregional transmission lines. By adding more alternating ac/dc converter equipment at the terminals, the conductors on the existing 845-mile dc intertie transmission line can be operated at full design capacity. The dc Intertie plus two other ac lines which terminate near San Francisco comprise the ''Intertie.'' Though the project is interregional, relatively little construction will be needed. This Environmental Assessment addresses the environmental impacts of the proposed actions and makes a determination as to their significance. Though LADWP is complying with the State environmental process, as required by the California Environmental Quality Act (CEQA), the impacts of their construction are being considered as part of the impacts of the overall proposal and are considered in the determination of significance.

  11. Pyrotek Graphitization Facility Expansion Project | Department of Energy

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

    1 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies Program Annual Merit Review and Peer Evaluation arravt016_es_sekedat_2011_p.pdf (756.86 KB) More Documents & Publications Pyrotek Graphitization Facility Expansion Project Pyrotek Graphitization Facility Expansion Project EA-1720: Finding of No Significant Impact

  12. Expansion of Novolyte Capacity for Lithium Ion Electrolyte Production |

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

    Department of Energy 5_es_wise_2012_p.pdf (321.02 KB) More Documents & Publications Expansion of Novolyte Capacity for Lithium Ion Electrolyte Production Expansion of Novolyte Capacity for Lithium Ion Electrolyte Production FY 2011 Annual Progress Report for Energy Storage R&D

  13. OPEC production: Untapped reserves, world demand spur production expansion

    SciTech Connect (OSTI)

    Ismail, I.A.H. )

    1994-05-02

    To meet projected world oil demand, almost all members of the Organization of Petroleum Exporting Countries (OPEC) have embarked on ambitious capacity expansion programs aimed at increasing oil production capabilities. These expansion programs are in both new and existing oil fields. In the latter case, the aim is either to maintain production or reduce the production decline rate. However, the recent price deterioration has led some major OPEC producers, such as Saudi Arabia and Iran, to revise downward their capacity plans. Capital required for capacity expansion is considerable. Therefore, because the primary source of funds will come from within each OPEC country, a reasonably stable and relatively high oil price is required to obtain enough revenue for investing in upstream projects. This first in a series of two articles discusses the present OPEC capacity and planned expansion in the Middle East. The concluding part will cover the expansion plans in the remaining OPEC countries, capital requirements, and environmental concerns.

  14. First-principles study on negative thermal expansion of PbTiO{sub 3}

    SciTech Connect (OSTI)

    Wang, Fangfang; Chen, Jun; Xing, Xianran; Xie, Ying; Fu, Honggang

    2013-11-25

    It is well known that perovskite-type PbTiO{sub 3} behaves negative thermal expansion in a wide temperature range from room temperature to Curie temperature (763?K). The present study reports the first-principles study of the anisotropic thermal expansion of PbTiO{sub 3}, in the framework of the density-functional theory and the density-functional perturbation theory. The curve of temperature dependence of the unit cell volume is presented from 20 to 520?K through the calculation of the minimum of total free energy at each temperature point. The negative thermal expansion of PbTiO{sub 3} is calculated without empirical parameters. Furthermore, the distinctive thermodynamic act of PbTiO{sub 3} from expanding to contracting at tetragonal phase is reproduced. The ab-initio calculations reveal that this unique appearance depends on the phonon vibration. The dynamical contributions of various atoms are also calculated to account for the disparate role of Pb-O and Ti-O bond.

  15. Spectral solver for multi-scale plasma physics simulations with dynamically adaptive number of moments

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

    Vencels, Juris; Delzanno, Gian Luca; Johnson, Alec; Peng, Ivy Bo; Laure, Erwin; Markidis, Stefano

    2015-06-01

    A spectral method for kinetic plasma simulations based on the expansion of the velocity distribution function in a variable number of Hermite polynomials is presented. The method is based on a set of non-linear equations that is solved to determine the coefficients of the Hermite expansion satisfying the Vlasov and Poisson equations. In this paper, we first show that this technique combines the fluid and kinetic approaches into one framework. Second, we present an adaptive strategy to increase and decrease the number of Hermite functions dynamically during the simulation. The technique is applied to the Landau damping and two-stream instabilitymore » test problems. Performance results show 21% and 47% saving of total simulation time in the Landau and two-stream instability test cases, respectively.« less

  16. Spectral solver for multi-scale plasma physics simulations with dynamically adaptive number of moments

    SciTech Connect (OSTI)

    Vencels, Juris; Delzanno, Gian Luca; Johnson, Alec; Peng, Ivy Bo; Laure, Erwin; Markidis, Stefano

    2015-06-01

    A spectral method for kinetic plasma simulations based on the expansion of the velocity distribution function in a variable number of Hermite polynomials is presented. The method is based on a set of non-linear equations that is solved to determine the coefficients of the Hermite expansion satisfying the Vlasov and Poisson equations. In this paper, we first show that this technique combines the fluid and kinetic approaches into one framework. Second, we present an adaptive strategy to increase and decrease the number of Hermite functions dynamically during the simulation. The technique is applied to the Landau damping and two-stream instability test problems. Performance results show 21% and 47% saving of total simulation time in the Landau and two-stream instability test cases, respectively.

  17. Effects of nonthermal electrons on plasma expansion into vacuum

    SciTech Connect (OSTI)

    Bennaceur-Doumaz, D. Bara, D.; Benkhelifa, E.; Djebli, M.

    2015-01-28

    The expansion of semi-infinite plasma into vacuum is analyzed with a hydrodynamic model for cold ions assuming electrons modelled by a kappa-type distribution. Similarly to Mora study of a plasma expansion into vacuum [P. Mora, Phys. Rev. Lett. 90, 185002 (2003)], we formulated empirical expressions for the electric field strength, velocity, and position of the ion front in one-dimensional nonrelativistic, collisionless isothermally expanding plasma. Analytic expressions for the maximum ion energy and the spectrum of the accelerated ions in the plasma were derived and discussed to highlight the electron nonthermal effects on enhancing the ion acceleration in plasma expansion into vacuum.

  18. Relativistic plasma expansion with Maxwell-Juettner distribution

    SciTech Connect (OSTI)

    Huang, Yongsheng; Wang, Naiyan; Tang, Xiuzhang; Shi, Yijin

    2013-11-15

    A self-similar analytical solution is proposed to describe the relativistic ion acceleration with the local Maxwell-Juettner relativistic distribution electrons. It is an alternative to the existing static model [M. Passoni and M. Lontano, Phys. Rev. Lett. 101, 115001 (2008)], which exploits a limited solution for the acceleration potential. With our model, the potential is finite naturally and has an upper limitation proportional to the square root of the electron temperature. The divergent potential in the non-relativistic case is the linear items of the Taylor expansion of that obtained relativistic one here. The energy distribution of ions and the dependence of the ion momentum on the acceleration time are obtained analytically. Maximum ion energy has an upper limitation decided by the finite potential difference. In the ultra-relativistic region, the ion energy at the ion front is proportional to t{sup 4/5} and the energy of the ions behind the ion front is proportional to t{sup 2/3} since the field there is shielded by the ions beyond them and the field at the ion front is the most intense.

  19. On equivalence of high temperature series expansion and coupling parameter series expansion in thermodynamic perturbation theory of fluids

    SciTech Connect (OSTI)

    Sai Venkata Ramana, A.

    2014-04-21

    The coupling parameter series expansion and the high temperature series expansion in the thermodynamic perturbation theory of fluids are shown to be equivalent if the interaction potential is pairwise additive. As a consequence, for the class of fluids with the potential having a hardcore repulsion, if the hard-sphere fluid is chosen as reference system, the terms of coupling parameter series expansion for radial distribution function, direct correlation function, and Helmholtz free energy follow a scaling law with temperature. The scaling law is confirmed by application to square-well fluids.

  20. Seal assembly for materials with different coefficients of thermal expansion

    DOE Patents [OSTI]

    Minford, Eric

    2009-09-01

    Seal assembly comprising (a) two or more seal elements, each element having having a coefficient of thermal expansion; and (b) a clamping element having a first segment, a second segment, and a connecting segment between and attached to the first and second segments, wherein the two or more seal elements are disposed between the first and second segments of the clamping element. The connecting segment has a central portion extending between the first segment of the clamping element and the second segment of the clamping element, and the connecting segment is made of a material having a coefficient of thermal expansion. The coefficient of thermal expansion of the material of the connecting segment is intermediate the largest and smallest of the coefficients of thermal expansion of the materials of the two or more seal elements.

  1. F-Area Northeast Expansion Report, Volumes 1

    SciTech Connect (OSTI)

    Syms, F.H.

    1999-08-23

    A geotechnical program has been complexed in F-Area at the Savannah River Site in South Carolina. This program investigated the subsurface conditions for the area known as the ''northeast expansion'' located in the F-Area.

  2. Compact representation of radiation patterns using spherical mode expansions

    SciTech Connect (OSTI)

    Simpson, T.L.; Chen, Yinchao . Dept. of Electrical and Computer Engineering)

    1990-07-15

    This report presents the results of an investigation of SM (Spherical Mode) expansions as a compact and efficient alternative to the use of current distributions for generating radiation patterns. The study included three areas: (1) SM expansion from the radiation pattern; (2) SM expansion from the antenna current; and (3) Literature search. SM expansions were obtained from radiation patterns during the initial phase of this study. Although straightforward in principal, however, this technique was found to be awkward for the treatment on theoretical radiation patterns. It is included here for completeness and for possible use to summarize experimental results in a more meaningful way than with an exhaustive display of amplitude with azimuth and elevation angles. In essence, the work in this area served as as warm-up problem to develop our skills in computing and manipulating spherical modes as mathematical entities. 6 refs., 21 figs., 6 tabs.

  3. INVESTIGATION OF HOLOCENE FAULTING PROPOSED C-746-U LANDFILL EXPANSION

    SciTech Connect (OSTI)

    Lettis, William

    2006-07-01

    This report presents the findings of a fault hazard investigation for the C-746-U landfill's proposed expansion located at the Department of Energy's (DOE) Paducah Gaseous Diffusion Plant (PGDP), in Paducah, Kentucky. The planned expansion is located directly north of the present-day C-746-U landfill. Previous geophysical studies within the PGDP site vicinity interpret possible northeast-striking faults beneath the proposed landfill expansion, although prior to this investigation the existence, locations, and ages of these inferred faults have not been confirmed through independent subsurface exploration. The purpose of this investigation is to assess whether or not Holocene-active fault displacement is present beneath the footprint of the proposed landfill expansion.

  4. Generation and transmission expansion planning for renewable energy integration

    SciTech Connect (OSTI)

    Bent, Russell W; Berscheid, Alan; Toole, G. Loren

    2010-11-30

    In recent years the expansion planning problem has become increasingly complex. As expansion planning (sometimes called composite or integrated resource planning) is a non-linear and non-convex optimization problem, researchers have traditionally focused on approximate models of power flows to solve the problem. The problem has also been split into generation expansion planning (GEP) and transmission network expansion planning (TNEP) to improve computational tractability. Until recently these approximations have produced results that are straight-forward to combine and adapt to the more complex and complete problem. However, the power grid is evolving towards a state where the adaptations are no longer easy (e.g. large amounts of limited control, renewable generation, comparable generation and transmission construction costs) and necessitates new approaches. Recent work on deterministic Discrepancy Bounded Local Search (DBLS) has shown it to be quite effective in addressing the TNEP. In this paper, we propose a generalization of DBLS to handle simultaneous generation and transmission planning.

  5. AIRIS Argonne In-flight Radioactive Ion Separator Expansion

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

    AIRIS - Argonne In-flight Radioactive Ion Separator Expansion of the ATLAS in-flight radioactive beam program is underway through the design of a separator comprised of a momentum...

  6. Filtering with Marked Point Process Observations via Poisson Chaos Expansion

    SciTech Connect (OSTI)

    Sun Wei; Zeng Yong; Zhang Shu

    2013-06-15

    We study a general filtering problem with marked point process observations. The motivation comes from modeling financial ultra-high frequency data. First, we rigorously derive the unnormalized filtering equation with marked point process observations under mild assumptions, especially relaxing the bounded condition of stochastic intensity. Then, we derive the Poisson chaos expansion for the unnormalized filter. Based on the chaos expansion, we establish the uniqueness of solutions of the unnormalized filtering equation. Moreover, we derive the Poisson chaos expansion for the unnormalized filter density under additional conditions. To explore the computational advantage, we further construct a new consistent recursive numerical scheme based on the truncation of the chaos density expansion for a simple case. The new algorithm divides the computations into those containing solely system coefficients and those including the observations, and assign the former off-line.

  7. Employing time-resolved terahertz spectroscopy to analyze carrier dynamics in thin-film Cu{sub 2}ZnSn(S,Se){sub 4} absorber layers

    SciTech Connect (OSTI)

    Guglietta, Glenn W.; Baxter, Jason B.; Choudhury, Kaushik Roy; Caspar, Jonathan V.

    2014-06-23

    We report the application of time-resolved terahertz spectroscopy (TRTS) to measure photoexcited carrier lifetimes and mobility, and to determine recombination mechanisms in Cu{sub 2}ZnSn(S,Se){sub 4} (CZTSSe) thin films fabricated from nanocrystal inks. Ultrafast time resolution permits tracking the evolution of carrier density to determine recombination rates and mechanisms. The carrier generation profile was manipulated by varying the photoexcitation wavelength and fluence to distinguish between surface, Shockley-Read-Hall (SRH), radiative, and Auger recombination mechanisms and determine rate constants. Surface and SRH recombination are the dominant mechanisms for the air/CZTSSe/SiO{sub 2}/Si film stack. Diffusion to, and then recombination at, the air-CZTSSe interface occurred on the order of 100 picoseconds, while SRH recombination lifetimes were 1–2 nanoseconds. TRTS measurements can provide information that is complementary to conventional time-resolved photoluminescence measurements and can direct the design of efficient thin film photovoltaics.

  8. Co-optimizing Generation and Transmission Expansion with Wind Power in Large-Scale Power Grids Implementation in the US Eastern Interconnection

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

    You, Shutang; Hadley, Stanton W.; Shankar, Mallikarjun; Liu, Yilu

    2016-01-12

    This paper studies the generation and transmission expansion co-optimization problem with a high wind power penetration rate in the US Eastern Interconnection (EI) power grid. In this paper, the generation and transmission expansion problem for the EI system is modeled as a mixed-integer programming (MIP) problem. Our paper also analyzed a time series generation method to capture the variation and correlation of both load and wind power across regions. The obtained series can be easily introduced into the expansion planning problem and then solved through existing MIP solvers. Simulation results show that the proposed planning model and series generation methodmore » can improve the expansion result significantly through modeling more detailed information of wind and load variation among regions in the US EI system. Moreover, the improved expansion plan that combines generation and transmission will aid system planners and policy makers to maximize the social welfare in large-scale power grids.« less

  9. Quasiparticle dynamics across the full Brillouin zone of Bi2Sr2CaCu2O8+δ traced with ultrafast time and angle-resolved photoemission spectroscopy

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

    Dakovski, Georgi L.; Durakiewicz, Tomasz; Zhu, Jian-Xin; Riseborough, Peter S.; Gu, Genda; Gilbertson, Steve M.; Taylor, Antoinette; Rodriguez, George

    2015-10-12

    A hallmark in the cuprate family of high-temperature superconductors is the nodal-antinodal dichotomy. In this regard, angle-resolved photoemission spectroscopy (ARPES) has proven especially powerful, providing band structure information directly in energy-momentum space. Time-resolved ARPES (trARPES) holds great promise of adding ultrafast temporal information, in an attempt to identify different interaction channels in the time domain. Previous studies of the cuprates using trARPES were handicapped by the low probing energy which significantly limits the accessible momentum space. Using 20.15eV, 12 fs pulses we show for the first time the evolution of quasiparticles in the antinodal region of Bi2Sr2CaCu2O8+δ and demonstrate thatmore » nonmonotonic relaxation dynamics dominates above a certain fluence threshold. The dynamics is heavily influenced by transient modification of the electron-phonon interaction and phase space restrictions, in severe contrast to the monotonic relaxation in the nodal and off-nodal regions.« less

  10. Quasiparticle dynamics across the full Brillouin zone of Bi2Sr2CaCu2O8+δ traced with ultrafast time and angle-resolved photoemission spectroscopy

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

    Dakovski, Georgi L.; Durakiewicz, Tomasz; Zhu, Jian-Xin; Riseborough, Peter S.; Gu, Genda; Gilbertson, Steve M.; Taylor, Antoinette; Rodriguez, George

    2015-10-12

    A hallmark in the cuprate family of high-temperature superconductors is the nodal-antinodal dichotomy. In this regard, angle-resolved photoemission spectroscopy (ARPES) has proven especially powerful, providing band structure information directly in energy-momentum space. Time-resolved ARPES (trARPES) holds great promise of adding ultrafast temporal information, in an attempt to identify different interaction channels in the time domain. Previous studies of the cuprates using trARPES were handicapped by the low probing energy which significantly limits the accessible momentum space. Using 20.15eV, 12 fs pulses we show for the first time the evolution of quasiparticles in the antinodal region of Bi2Sr2CaCu2O8+δ and demonstrate thatmore »nonmonotonic relaxation dynamics dominates above a certain fluence threshold. The dynamics is heavily influenced by transient modification of the electron-phonon interaction and phase space restrictions, in severe contrast to the monotonic relaxation in the nodal and off-nodal regions.« less

  11. Testing the density matrix expansion against ab initio calculations of

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

    trapped neutron drops | Argonne Leadership Computing Facility Testing the density matrix expansion against ab initio calculations of trapped neutron drops Authors: Bogner, S., Furnstahl, R.J., Hergert, H., Kortelainen, M., Maris, P., Stoitsov, M., Vary, J.P. Microscopic input to a universal nuclear energy density functional can be provided through the density matrix expansion (DME), which has recently been revived and improved. Several DME implementation strategies are tested for neutron

  12. Evolution of context dependent regulation by expansion of feast/famine regulatory proteins

    SciTech Connect (OSTI)

    Plaisier, Christopher L.; Lo, Fang -Yin; Ashworth, Justin; Brooks, Aaron N.; Beer, Karlyn D.; Kaur, Amardeep; Pan, Min; Reiss, David J.; Facciotti, Marc T.; Baliga, Nitin S.

    2014-11-14

    Expansion of transcription factors is believed to have played a crucial role in evolution of all organisms by enabling them to deal with dynamic environments and colonize new environments. We investigated how the expansion of the Feast/Famine Regulatory Protein (FFRP) or Lrp-like proteins into an eight-member family in Halobacterium salinarum NRC-1 has aided in niche-adaptation of this archaeon to a complex and dynamically changing hypersaline environment. We mapped genome-wide binding locations for all eight FFRPs, investigated their preference for binding different effector molecules, and identified the contexts in which they act by analyzing transcriptional responses across 35 growth conditions that mimic different environmental and nutritional conditions this organism is likely to encounter in the wild. Integrative analysis of these data constructed an FFRP regulatory network with conditionally active states that reveal how interrelated variations in DNA-binding domains, effector-molecule preferences, and binding sites in target gene promoters have tuned the functions of each FFRP to the environments in which they act. We demonstrate how conditional regulation of similar genes by two FFRPs, AsnC (an activator) and VNG1237C (a repressor), have striking environment-specific fitness consequences for oxidative stress management and growth, respectively. This study provides a systems perspective into the evolutionary process by which gene duplication within a transcription factor family contributes to environment-specific adaptation of an organism.

  13. Evolution of context dependent regulation by expansion of feast/famine regulatory proteins

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

    Plaisier, Christopher L.; Lo, Fang -Yin; Ashworth, Justin; Brooks, Aaron N.; Beer, Karlyn D.; Kaur, Amardeep; Pan, Min; Reiss, David J.; Facciotti, Marc T.; Baliga, Nitin S.

    2014-11-14

    Expansion of transcription factors is believed to have played a crucial role in evolution of all organisms by enabling them to deal with dynamic environments and colonize new environments. We investigated how the expansion of the Feast/Famine Regulatory Protein (FFRP) or Lrp-like proteins into an eight-member family in Halobacterium salinarum NRC-1 has aided in niche-adaptation of this archaeon to a complex and dynamically changing hypersaline environment. We mapped genome-wide binding locations for all eight FFRPs, investigated their preference for binding different effector molecules, and identified the contexts in which they act by analyzing transcriptional responses across 35 growth conditions thatmore » mimic different environmental and nutritional conditions this organism is likely to encounter in the wild. Integrative analysis of these data constructed an FFRP regulatory network with conditionally active states that reveal how interrelated variations in DNA-binding domains, effector-molecule preferences, and binding sites in target gene promoters have tuned the functions of each FFRP to the environments in which they act. We demonstrate how conditional regulation of similar genes by two FFRPs, AsnC (an activator) and VNG1237C (a repressor), have striking environment-specific fitness consequences for oxidative stress management and growth, respectively. This study provides a systems perspective into the evolutionary process by which gene duplication within a transcription factor family contributes to environment-specific adaptation of an organism.« less

  14. PROBING DYNAMICS OF ELECTRON ACCELERATION WITH RADIO AND X-RAY SPECTROSCOPY, IMAGING, AND TIMING IN THE 2002 APRIL 11 SOLAR FLARE

    SciTech Connect (OSTI)

    Fleishman, Gregory D.; Nita, Gelu M.; Gary, Dale E.; Kontar, Eduard P.

    2013-05-10

    Based on detailed analysis of radio and X-ray observations of a flare on 2002 April 11 augmented by realistic three-dimensional modeling, we have identified a radio emission component produced directly at the flare acceleration region. This acceleration region radio component has distinctly different (1) spectrum, (2) light curves, (3) spatial location, and, thus, (4) physical parameters from those of the separately identified trapped or precipitating electron components. To derive evolution of physical parameters of the radio sources we apply forward fitting of the radio spectrum time sequence with the gyrosynchrotron source function with five to six free parameters. At the stage when the contribution from the acceleration region dominates the radio spectrum, the X-ray- and radio-derived electron energy spectral indices agree well with each other. During this time the maximum energy of the accelerated electron spectrum displays a monotonic increase with time from {approx}300 keV to {approx}2 MeV over roughly one minute duration indicative of an acceleration process in the form of growth of the power-law tail; the fast electron residence time in the acceleration region is about 2-4 s, which is much longer than the time of flight and so requires a strong diffusion mode there to inhibit free-streaming propagation. The acceleration region has a relatively strong magnetic field, B {approx} 120 G, and a low thermal density, n{sub e} {approx}< 2 Multiplication-Sign 10{sup 9} cm{sup -3}. These acceleration region properties are consistent with a stochastic acceleration mechanism.

  15. Copper Mountain Expansion I and II Solar Power Plant | Open Energy...

    Open Energy Info (EERE)

    Mountain Expansion I and II Solar Power Plant Jump to: navigation, search Name Copper Mountain Expansion I and II Solar Power Plant Facility Copper Mountain Expansion I and II...

  16. Gauge-invariant Green function dynamics: A unified approach

    SciTech Connect (OSTI)

    Swiecicki, Sylvia D. Sipe, J.E.

    2013-11-15

    We present a gauge-invariant description of Green function dynamics introduced by means of a generalized Peirels phase involving an arbitrary differentiable path in spacetime. Two other approaches to formulating a gauge-invariant description of systems, the Green function treatment of Levanda and Fleurov [M. Levanda, V. Fleurov, J. Phys.: Condens. Matter 6 (1994) 7889] and the usual multipolar expansion for an atom, are shown to arise as special cases of our formalism. We argue that the consideration of paths in the generalized Peirels phase that do not lead to introduction of an effective gauge-invariant Hamiltonian with polarization and magnetization fields may prove useful for the treatment of the response of materials with short electron correlation lengths. -- Highlights: Peirels phase for an arbitrary path in spacetime established. Gauge-invariant Green functions and the PowerZienauWooley transformation connected. Limitations on possible polarization and magnetization fields established.

  17. Marine pipeline dynamic response to waves from directional wave spectra

    SciTech Connect (OSTI)

    Lambrakos, K.F.

    1982-07-01

    A methodology has been developed to calculate the dynamic probabilistic movement and resulting stresses for marine pipelines subjected to storm waves. A directional wave spectrum is used with a Fourier series expansion to simulate short-crested waves and calculate their loads on the pipeline. The pipeline displacements resulting from these loads are solutions to the time-dependent beam-column equation which also includes the soil resistance as external loading. The statistics of the displacements for individual waves are combined with the wave statistics for a given period of time, e.g. pipeline lifetime, to generate probabilistic estimates for net pipeline movement. On the basis of displacements for specified probability levels the pipeline configuration is obtained from which pipeline stresses can be estimated using structural considerations, e.g. pipeline stiffness, end restraints, etc.

  18. Time-resolved Kα spectroscopy measurements of hot-electron equilibration dynamics in thin-foil solid targets: Collisional and collective effects

    SciTech Connect (OSTI)

    Nilson, P. M.; Solodov, A. A.; Davies, J. R.; Theobald, W.; Mileham, C.; Stoeckl, C.; Begishev, I. A.; Zuegel, J. D.; Froula, D. H.; Betti, R.; Meyerhofer, D. D.

    2015-09-25

    Time-resolved Kα spectroscopy measurements from high-intensity laser interactions with thin-foil solid targets are reviewed. Thin Cu foils were irradiated with 1- to 10-J, 1-ps pulses at focused intensities from 1018 to 1019 W/cm2. The experimental data show Kα-emission pulse widths from 3 to 6 ps, increasing with laser intensity. The time-resolved Kα-emission data are compared to a hot-electron transport and Kα-production model that includes collisional electron-energy coupling, resistive heating, and electromagnetic field effects. The experimental data show good agreement with the model when a reduced ponderomotive scaling is used to describe the initial mean hot-electron energy over the relevant intensity range.

  19. Time-resolved Kα spectroscopy measurements of hot-electron equilibration dynamics in thin-foil solid targets: Collisional and collective effects

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

    Nilson, P. M.; Solodov, A. A.; Davies, J. R.; Theobald, W.; Mileham, C.; Stoeckl, C.; Begishev, I. A.; Zuegel, J. D.; Froula, D. H.; Betti, R.; et al

    2015-09-25

    Time-resolved Kα spectroscopy measurements from high-intensity laser interactions with thin-foil solid targets are reviewed. Thin Cu foils were irradiated with 1- to 10-J, 1-ps pulses at focused intensities from 1018 to 1019 W/cm2. The experimental data show Kα-emission pulse widths from 3 to 6 ps, increasing with laser intensity. The time-resolved Kα-emission data are compared to a hot-electron transport and Kα-production model that includes collisional electron-energy coupling, resistive heating, and electromagnetic field effects. The experimental data show good agreement with the model when a reduced ponderomotive scaling is used to describe the initial mean hot-electron energy over the relevant intensitymore » range.« less

  20. Anomalous expansion of the copper-apical-oxygen distance in supercondu...

    Office of Scientific and Technical Information (OSTI)

    Anomalous expansion of the copper-apical-oxygen distance in superconducting cuprate bilayers Citation Details In-Document Search Title: Anomalous expansion of the copper-apical-oxy...

  1. Freeport LNG Expansion, L.P. and FLNG Liquefaction, LLC - FE...

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

    (FLEX I Conditional Order) to Freeport LNG Expansion, L.P. and FLNG Liquefaction, LLC, ... holders, together with Freeport LNG Expansion, L.P. and FLNG Liquefaction, LLC ...

  2. Dynamics of Propane in Silica Mesopores Formed upon PropyleneHydrogenation over Pt Nanoparticles by Time-Resolved FT-IRSpectroscopy

    SciTech Connect (OSTI)

    Waslylenko, Walter; Frei, Heinz

    2007-01-31

    Propylene hydrogenation over Pt nanoparticles supported onmesoporous silica type SBA-15 was monitored by time-resolved FT-IRspectroscopy at 23 ms resolution using short propylene gas pulses thatjoined a continuous flow of hydrogen in N2 (1 atm total pressure).Experiments were conducted in the temperature range 323-413 K. Propanewas formed within 100 milliseconds or faster. The CH stretching regionrevealed distinct bands for propane molecules emerging inside thenanoscale channels of the silica support. Spectral analysis gave thedistribution of the propane product between support and surrounding gasphase as function of time. Kinetic analysis showed that the escape ofpropane molecules from the channels occurred within hundreds ofmilliseconds (3.1 + 0.4 s-1 at 383 K). A steady state distribution ofpropane between gas phase and mesoporous support is established as theproduct is swept from the catalyst zone by the continuous flow ofhydrogen co-reactant. This is the first direct spectroscopic observationof emerging products of heterogeneous catalysis on nanoporous supportsunder reaction conditions.

  3. RECOVERY ACT: DYNAMIC ENERGY CONSUMPTION MANAGEMENT OF ROUTING TELECOM AND DATA CENTERS THROUGH REAL-TIME OPTIMAL CONTROL (RTOC): Final Scientific/Technical Report

    SciTech Connect (OSTI)

    Ron Moon

    2011-06-30

    This final scientific report documents the Industrial Technology Program (ITP) Stage 2 Concept Development effort on Data Center Energy Reduction and Management Through Real-Time Optimal Control (RTOC). Society is becoming increasingly dependent on information technology systems, driving exponential growth in demand for data center processing and an insatiable appetite for energy. David Raths noted, 'A 50,000-square-foot data center uses approximately 4 megawatts of power, or the equivalent of 57 barrels of oil a day1.' The problem has become so severe that in some cases, users are giving up raw performance for a better balance between performance and energy efficiency. Historically, power systems for data centers were crudely sized to meet maximum demand. Since many servers operate at 60%-90% of maximum power while only utilizing an average of 5% to 15% of their capability, there are huge inefficiencies in the consumption and delivery of power in these data centers. The goal of the 'Recovery Act: Decreasing Data Center Energy Use through Network and Infrastructure Control' is to develop a state of the art approach for autonomously and intelligently reducing and managing data center power through real-time optimal control. Advances in microelectronics and software are enabling the opportunity to realize significant data center power savings through the implementation of autonomous power management control algorithms. The first step to realizing these savings was addressed in this study through the successful creation of a flexible and scalable mathematical model (equation) for data center behavior and the formulation of an acceptable low technical risk market introduction strategy leveraging commercial hardware and software familiar to the data center market. Follow-on Stage 3 Concept Development efforts include predictive modeling and simulation of algorithm performance, prototype demonstrations with representative data center equipment to verify requisite

  4. 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.

  5. Cryogenic expansion joint for large superconducting magnet structures

    DOE Patents [OSTI]

    Brown, Robert L.

    1978-01-01

    An expansion joint is provided that accommodates dimensional changes occurring during the cooldown and warm-up of large cryogenic devices such as superconducting magnet coils. Flattened tubes containing a refrigerant such as gaseous nitrogen (N.sub.2) are inserted into expansion spaces in the structure. The gaseous N.sub.2 is circulated under pressure and aids in the cooldown process while providing its primary function of accommodating differential thermal contraction and expansion in the structure. After lower temperatures are reached and the greater part of the contraction has occured, the N.sub.2 liquefies then solidifies to provide a completely rigid structure at the cryogenic operating temperatures of the device.

  6. Asymptotic expansions for oscillatory integrals using inverse functions.

    SciTech Connect (OSTI)

    Lyness, J. N.; Lottes, J. W.

    2009-05-01

    We treat finite oscillatory integrals of the form {integral}{sub a}{sup b} F(x)e{sup ikG(x)} dx in which both F and G are real on the real line, are analytic over the open integration interval, and may have algebraic singularities at either or both interval end points. For many of these, we establish asymptotic expansions in inverse powers of k. No appeal to the theories of stationary phase or steepest descent is involved. We simply apply theory involving inverse functions and expansions for a Fourier coefficient {integral}{sub a}{sup b} {phi}(t)e{sup ikt} dt. To this end, we have assembled several results involving inverse functions. Moreover, we have derived a new asymptotic expansion for this integral, valid when {phi}(t) = {Sigma}a{sub j}t{sup {sigma}}j, -1 < {sigma}{sub 1} < {sigma}{sub 2} < {hor_ellipsis}.

  7. Locally smeared operator product expansions in scalar field theory

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

    Monahan, Christopher; Orginos, Kostas

    2015-04-01

    We propose a new locally smeared operator product expansion to decompose non-local operators in terms of a basis of smeared operators. The smeared operator product expansion formally connects nonperturbative matrix elements determined numerically using lattice field theory to matrix elements of non-local operators in the continuum. These nonperturbative matrix elements do not suffer from power-divergent mixing on the lattice, which significantly complicates calculations of quantities such as the moments of parton distribution functions, provided the smearing scale is kept fixed in the continuum limit. The presence of this smearing scale complicates the connection to the Wilson coefficients of the standardmore » operator product expansion and requires the construction of a suitable formalism. We demonstrate the feasibility of our approach with examples in real scalar field theory.« less

  8. Self-similar expansion of a warm dense plasma

    SciTech Connect (OSTI)

    Djebli, Mourad; Moslem, Waleed M.

    2013-07-15

    The properties of an expanding plasma composed of degenerate electron fluid and non-degenerate ions are studied. For our purposes, we use fluid equations for ions together with the electron momentum equation that include quantum forces (e.g., the quantum statistical pressure, forces due to the electron-exchange and electron correlations effects) and the quasi-neutrality condition. The governing equation is written in a tractable form by using a self-similar transformation. Numerical results for typical beryllium plasma parameters revealed that, during the expansion, the ion acoustic speed decreases for both isothermal and adiabatic ion pressure. When compared with classical hydrodynamic plasma expansion model, the electrons and ions are found to initially escape faster in vacuum creating thus an intense electric field that accelerates most of the particles into the vacuum ahead of the plasma expansion. The relevancy of the present model to beryllium plasma produced by a femto-second laser is highlighted.

  9. Semi-device-independent random-number expansion without entanglement

    SciTech Connect (OSTI)

    Li Hongwei; Yin Zhenqiang; Wu Yuchun; Zou Xubo; Wang Shuang; Chen Wei; Guo Guangcan; Han Zhengfu

    2011-09-15

    By testing the classical correlation violation between two systems, true random numbers can be generated and certified without applying classical statistical method. In this work, we propose a true random-number expansion protocol without entanglement, where the randomness can be guaranteed only by the two-dimensional quantum witness violation. Furthermore, we only assume that the dimensionality of the system used in the protocol has a tight bound, and the whole protocol can be regarded as a semi-device-independent black-box scenario. Compared with the device-independent random-number expansion protocol based on entanglement, our protocol is much easier to implement and test.

  10. Derivative expansion at small mass for the spinor effective action

    SciTech Connect (OSTI)

    Dunne, Gerald V.; Huet, Adolfo; Hur, Jin; Min, Hyunsoo

    2011-05-15

    We study the small-mass limit of the one-loop spinor effective action, comparing the derivative expansion approximation with exact numerical results that are obtained from an extension to spinor theories of the partial-wave cutoff method. In this approach, one can compute numerically the renormalized one-loop effective action for radially separable gauge field background fields in spinor QED. We highlight an important difference between the small-mass limit of the derivative expansion for spinor and scalar theories.

  11. Thermal Expansion in the Garnet-Type Solid Electrolyte

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

    (Li7-xAlx/3)La3Zr2O12 as a Function of Al Content - Joint Center for Energy Storage Research September 25, 2015, Research Highlights Thermal Expansion in the Garnet-Type Solid Electrolyte (Li7-xAlx/3)La3Zr2O12 as a Function of Al Content Evolution of the lattice constant as a function of temperature with the evolution of the (211) peak of cubic (Li6.1Al0.3)La3Zr2O12 during heating (inset). Scientific Achievement The study identified the lattice expansion lithium lanthanum zirconium oxide

  12. Cryogenic Thermal Expansion of Y-12 Graphite Fuel Elements

    SciTech Connect (OSTI)

    Eash, D. T.

    2013-07-08

    Thermal expansion measurements betwccn 20°K and 300°K were made on segments of three uranium-loaded Y-12 uncoated graphite fuel elements. The thermal expansion of these fuel elements over this temperature range is represented by the equation: {Delta}L/L = -39.42 x 10{sup -5} + 1.10 x 10{sup -7} T + 6.47 x 10{sup -9} T{sup 2} - 8.30 x 10{sup -12} T{sup 3}.

  13. High Efficiency Full Expansion (FEx) Engine for Automotive Applications |

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

    Department of Energy Full Expansion (FEx) Engine for Automotive Applications High Efficiency Full Expansion (FEx) Engine for Automotive Applications Large increases in engine thermal efficiency result from a new method of large reductions in both heat energy normally lost to the cooling medium and in heat energy in the exhaust system. p-18_taylor.pdf (46.48 KB) More Documents & Publications Two-Stroke Engines: New Frontier in Engine Efficiency Two-Stroke Uniflow Turbo-Compound IC Engine

  14. Accelerated Molecular Dynamics Methods

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

    ... Los Alamos Parallel Replica Dynamics Procedure Start clock and run thermostatted MD on ... Sum the trajectory times over all M processors. Advance simulation clock by this t sum Los ...

  15. Low-temperature thermal expansion of amorphous solids

    SciTech Connect (OSTI)

    Ackerman, David Alan

    1982-01-01

    For most amorphous materials at temperatures below approx. = 1 K, the magnitudes and temperature dependences of specific heat, thermal conductivity and ultrasonic dispersion are qualitatively similar, independent of chemical composition. It has been suggested that thermal expansion also exhibits this universal behavior. The development of a dilatometer capable of resolving sample strains as small as 10/sup -12/ has permitted measurement of the linear thermal expansion of various glasses below 1 K. These investigations have demonstrated, however, that the low-temperature thermal expansion coefficient of glasses can be positive, negative, large or small. Analysis of measurements performed on two types of vitreous silica, two amorphous polymers, As/sub 2/S/sub 3/ and ZrO/sub 2/:Y/sub 2/O/sub 3/ is presented in the context of the phenomenological tunneling-states model. Consistency in explanation of thermal expansion and ultrasonic behavior is maintained by assuming a broad, weakly energy-dependent distribution of coupling strengths between phonons and the localized excitations thought to be characteristic of the glassy state.

  16. B31.3 Appendix X rules for expansion joints

    SciTech Connect (OSTI)

    Becht, C. IV

    1995-08-01

    In 1988, ASME B31.3 added Appendix X containing requirements for Metallic Bellows Expansion Joints into the Chemical Plant and Petroleum Refinery Piping Code. These have been revised and improved in subsequent addenda to the Code. This paper describes some of the salient features of this Appendix, as well as the revisions and the background behind them.

  17. Application of asymptotic expansions for maximum likelihood estimators errors to gravitational waves from binary mergers: The single interferometer case

    SciTech Connect (OSTI)

    Zanolin, M.; Vitale, S.; Makris, N.

    2010-06-15

    In this paper we apply to gravitational waves (GW) from the inspiral phase of binary systems a recently derived frequentist methodology to calculate analytically the error for a maximum likelihood estimate of physical parameters. We use expansions of the covariance and the bias of a maximum likelihood estimate in terms of inverse powers of the signal-to-noise ration (SNR)s where the square root of the first order in the covariance expansion is the Cramer Rao lower bound (CRLB). We evaluate the expansions, for the first time, for GW signals in noises of GW interferometers. The examples are limited to a single, optimally oriented, interferometer. We also compare the error estimates using the first two orders of the expansions with existing numerical Monte Carlo simulations. The first two orders of the covariance allow us to get error predictions closer to what is observed in numerical simulations than the CRLB. The methodology also predicts a necessary SNR to approximate the error with the CRLB and provides new insight on the relationship between waveform properties, SNR, dimension of the parameter space and estimation errors. For example the timing match filtering can achieve the CRLB only if the SNR is larger than the Kurtosis of the gravitational wave spectrum and the necessary SNR is much larger if other physical parameters are also unknown.

  18. Modeling non-harmonic behavior of materials from experimental inelastic neutron scattering and thermal expansion measurements

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

    Bansal, Dipanshu; Aref, Amjad; Dargush, Gary; Delaire, Olivier A.

    2016-07-20

    Based on thermodynamic principles, we derive expressions quantifying the non-harmonic vibrational behavior of materials, which are rigorous yet easily evaluated from experimentally available data for the thermal expansion coefficient and the phonon density of states. These experimentally-derived quantities are valuable to benchmark first-principles theoretical predictions of harmonic and non-harmonic thermal behaviors using perturbation theory, ab initio molecular-dynamics, or Monte-Carlo simulations. In this study, we illustrate this analysis by computing the harmonic, dilational, and anharmonic contributions to the entropy, internal energy, and free energy of elemental aluminum and the ordered compound FeSi over a wide range of temperature. Our results agreemore » well with previous data in the literature and provide an efficient approach to estimate anharmonic effects in materials.« less

  19. High order spatial expansion for the method of characteristics applied to 3-D geometries

    SciTech Connect (OSTI)

    Naymeh, L.; Masiello, E.; Sanchez, R.

    2013-07-01

    The method of characteristics is an efficient and flexible technique to solve the neutron transport equation and has been extensively used in two-dimensional calculations because it permits to deal with complex geometries. However, because of a very fast increase in storage requirements and number of floating operations, its direct application to three-dimensional routine transport calculations it is not still possible. In this work we introduce and analyze several modifications aimed to reduce memory requirements and to diminish the computing burden. We explore high-order spatial approximation, the use of intermediary trajectory-dependent flux expansions and the possibility of dynamic trajectory reconstruction from local tracking for typed subdomains. (authors)

  20. Spherical cavity-expansion forcing function in PRONTO 3D for application to penetration problems

    SciTech Connect (OSTI)

    Warren, T.L.; Tabbara, M.R.

    1997-05-01

    In certain penetration events the primary mode of deformation of the target can be approximated by known analytical expressions. In the context of an analysis code, this approximation eliminates the need for modeling the target as well as the need for a contact algorithm. This technique substantially reduces execution time. In this spirit, a forcing function which is derived from a spherical-cavity expansion analysis has been implemented in PRONTO 3D. This implementation is capable of computing the structural and component responses of a projectile due to three dimensional penetration events. Sample problems demonstrate good agreement with experimental and analytical results.

  1. Effect of Strong Acid Functional Groups on Electrode Rise Potential in Capacitive Mixing by Double Layer Expansion

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

    Hatzell, Marta C.; Raju, Muralikrishna; Watson, Valerie J.; Stack, Andrew G.; van Duin, Adri C. T.; Logan, Bruce E.

    2014-11-03

    We report that the amount of salinity-gradient energy that can be obtained through capacitive mixing based on double layer expansion depends on the extent the electric double layer (EDL) is altered in a low salt concentration (LC) electrolyte (e.g., river water). We show that the electrode-rise potential, which is a measure of the EDL perturbation process, was significantly (P = 10–5) correlated to the concentration of strong acid surface functional groups using five types of activated carbon. Electrodes with the lowest concentration of strong acids (0.05 mmol g–1) had a positive rise potential of 59 ± 4 mV in themore » LC solution, whereas the carbon with the highest concentration (0.36 mmol g–1) had a negative rise potential (₋31 ± 5 mV). Chemical oxidation of a carbon (YP50) using nitric acid decreased the electrode rise potential from 46 ± 2 mV (unaltered) to ₋6 ± 0.5 mV (oxidized), producing a whole cell potential (53 ± 1.7 mV) that was 4.4 times larger than that obtained with identical electrode materials (from 12 ± 1 mV). Changes in the EDL were linked to the behavior of specific ions in a LC solution using molecular dynamics and metadynamics simulations. The EDL expanded in the LC solution when a carbon surface (pristine graphene) lacked strong acid functional groups, producing a positive-rise potential at the electrode. In contrast, the EDL was compressed for an oxidized surface (graphene oxide), producing a negative-rise electrode potential. In conclusion, these results established the linkage between rise potentials and specific surface functional groups (strong acids) and demonstrated on a molecular scale changes in the EDL using oxidized or pristine carbons.« less

  2. The roles of the binodal curve and the spinodal curve in expansions from the supercritical state with flashing

    SciTech Connect (OSTI)

    Knuth, Eldon L.; Miller, David R.; Even, Uzi

    2014-12-09

    Data extracted from time-of-flight (TOF) measurements made on steady-state He free jets at Gttingen already in 1986 and for pulsed Ne free jets investigated recently at Tel Aviv have been added to an earlier plot of terminal condensed-phase mass fraction x{sub 2?} as a function of the dimensionless scaling parameter ?. ? characterizes the source (fluid species, temperature, pressure and throat diameter); values of x{sub 2?} are extracted from TOF measurements using conservation of energy in the free-jet expansion. For nozzles consisting of an orifice in a thin plate; the extracted data yield 22 data points which are correlated satisfactorily by a single curve. The Ne free jets were expanded from a conical nozzle with a 20 half angle; the three extracted data points stand together but apart from the aforementioned curve, indicating that the presence of the conical wall influences significantly the expansion and hence the condensation. The 22 data points for the expansions via an orifice consist of 15 measurements with expansions from the gas-phase side of the binodal curve which crossed the binodal curve downstream from the sonic point and 7 measurements with expansions of the gas-phase product of the flashing which occurred after an expansion from the liquid-phase side of the binodal curve crossed the binodal curve upstream from the sonic point. The association of these 22 points with a single curve supports the alternating-phase model for flows with flashing upstream from the sonic point proposed earlier. In order to assess the role of the spinodal curve in such expansions, the spinodal curves for He and Ne were computed using general multi-parameter Helmholtz-free-energy equation-of-state formulations. Then, for the several sets of source-chamber conditions used in the free-jet measurements, thermodynamic states at key locations in the free-jet expansions (binodal curve, sonic point and spinodal curve) were evaluated, with the expansion presumed to be

  3. Identification of Bayesian posteriors for coefficients of chaos expansions

    SciTech Connect (OSTI)

    Arnst, M. Ghanem, R.; Soize, C.

    2010-05-01

    This article is concerned with the identification of probabilistic characterizations of random variables and fields from experimental data. The data used for the identification consist of measurements of several realizations of the uncertain quantities that must be characterized. The random variables and fields are approximated by a polynomial chaos expansion, and the coefficients of this expansion are viewed as unknown parameters to be identified. It is shown how the Bayesian paradigm can be applied to formulate and solve the inverse problem. The estimated polynomial chaos coefficients are hereby themselves characterized as random variables whose probability density function is the Bayesian posterior. This allows to quantify the impact of missing experimental information on the accuracy of the identified coefficients, as well as on subsequent predictions. An illustration in stochastic aeroelastic stability analysis is provided to demonstrate the proposed methodology.

  4. Theoretical model for plasma expansion generated by hypervelocity impact

    SciTech Connect (OSTI)

    Ju, Yuanyuan; Zhang, Qingming Zhang, Dongjiang; Long, Renrong; Chen, Li; Huang, Fenglei; Gong, Zizheng

    2014-09-15

    The hypervelocity impact experiments of spherical LY12 aluminum projectile diameter of 6.4?mm on LY12 aluminum target thickness of 23?mm have been conducted using a two-stage light gas gun. The impact velocity of the projectile is 5.2, 5.7, and 6.3?km/s, respectively. The experimental results show that the plasma phase transition appears under the current experiment conditions, and the plasma expansion consists of accumulation, equilibrium, and attenuation. The plasma characteristic parameters decrease as the plasma expands outward and are proportional with the third power of the impact velocity, i.e., (T{sub e}, n{sub e})???v{sub p}{sup 3}. Based on the experimental results, a theoretical model on the plasma expansion is developed and the theoretical results are consistent with the experimental data.

  5. Viscosity of the QGP from a virial expansion

    SciTech Connect (OSTI)

    Mattiello, S.

    2012-06-15

    In this work we calculate the shear viscosity {eta} in the quark-gluon plasma within a virial expansion approach with particular interest in the ratio of {eta} to the entropy density s, i.e. {eta}/s. We derive a realistic equation of state using a virial expansion approach which allows us to include the interactions between the partons in the deconfined phase. From the interaction we directly extract the effective coupling {alpha}{sub V} for the determination of {eta}. Our results for {eta}/s show a minimum near to T{sub c} very close with the lowest bound and, furthermore, in line with the experimental point from RHIC as well as with the lattice calculations.

  6. Experiences using DAKOTA stochastic expansion methods in computational simulations.

    SciTech Connect (OSTI)

    Templeton, Jeremy Alan; Ruthruff, Joseph R.

    2012-01-01

    Uncertainty quantification (UQ) methods bring rigorous statistical connections to the analysis of computational and experiment data, and provide a basis for probabilistically assessing margins associated with safety and reliability. The DAKOTA toolkit developed at Sandia National Laboratories implements a number of UQ methods, which are being increasingly adopted by modeling and simulation teams to facilitate these analyses. This report disseminates results as to the performance of DAKOTA's stochastic expansion methods for UQ on a representative application. Our results provide a number of insights that may be of interest to future users of these methods, including the behavior of the methods in estimating responses at varying probability levels, and the expansion levels for the methodologies that may be needed to achieve convergence.

  7. Year-in-Review: 2015 Energy Infrastructure Events and Expansions

    Office of Energy Efficiency and Renewable Energy (EERE)

    The Office of Electricity Delivery and Energy Reliability's Year-in-Review: 2015 Energy Infrastructure Events and Expansions report provides a summary of significant energy disruptions and infrastructure changes that occurred in the United States in 2015. The report is based primarily on information reported in the Energy Assurance Daily. While the focus is on the United States, major international events that had an impact on global energy markets are also reported.

  8. Energy Infrastructure Events and Expansions Infrastructure Security and Energy Restoration

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

    Year-in-Review: 2010 Energy Infrastructure Events and Expansions Infrastructure Security and Energy Restoration Office of Electricity Delivery and Energy Reliability U.S. Department of Energy August 2011 OE/ISER Report 8/31/11 i For Further Information This report was prepared by the Office of Electricity Delivery and Energy Reliability under the direction of Patricia Hoffman, Assistant Secretary, and William Bryan, Deputy Assistant Secretary. Specific questions about information in this report

  9. Expansion on reduction of calcium doped lanthanum chromite

    SciTech Connect (OSTI)

    Carter, J.D.; Hendriksen, P.V.; Mogensen, M.

    1995-07-01

    Doped lanthanum chromites have been considered as interconnect materials for the solid oxide fuel cell (SOFC) because of their favorable chemical and electrical properties under both oxidizing and reducing environments. Several investigators have studied the materials properties of the doped lanthanum chromites to optimize their overall performance as an interconnect material. These properties include electrical conductivity, thermal expansion, sinterability, and chemical compatibility with other cell components. These properties are optimized by the amount of dopants substituted into chromite which are usually Ca or Sr. Figure 1 shows the range of values for these properties. Another important characteristic becoming more of a concern as investigators are building SOFC stacks is that doped lanthanum chromite expands when reduced in a low oxygen partial pressure (pO{sub 2}) (<10{sup -12} atm). Plates used to separate oxidizing and fuel gases can deform because of the pO{sub 2} gradient across the interconnect material. This presentation is a summary of work which will be presented at the Fourth International Symposium on Solid Oxide Fuel Cells. In this article, the possible causes of expansion on reduction of the interconnect will be discussed by using a two-dimensional crystal model. The biaxial strain of the stack is calculated under the assumption that the cell components are forced to remain planar. From this, the maximum stress buildup in the interconnect and electrolyte is estimated. In addition, the effects of thermal expansion mismatch and expansion on reduction of the interconnect are compared, and the optimum interconnect composition from a mechanical standpoint is reported.

  10. Auxiliary basis expansions for large-scale electronic structure calculations

    SciTech Connect (OSTI)

    Jung, Yousung; Sodt, Alexander; Gill, Peter W.M.; Head-Gordon, Martin

    2005-04-04

    One way to reduce the computational cost of electronic structure calculations is to employ auxiliary basis expansions to approximate 4 center integrals in terms of 2 and 3-center integrals, usually using the variationally optimum Coulomb metric to determine the expansion coefficients. However the long-range decay behavior of the auxiliary basis expansion coefficients has not been characterized. We find that this decay can be surprisingly slow. Numerical experiments on linear alkanes and a toy model both show that the decay can be as slow as 1/r in the distance between the auxiliary function and the fitted charge distribution. The Coulomb metric fitting equations also involve divergent matrix elements for extended systems treated with periodic boundary conditions. An attenuated Coulomb metric that is short-range can eliminate these oddities without substantially degrading calculated relative energies. The sparsity of the fit coefficients is assessed on simple hydrocarbon molecules, and shows quite early onset of linear growth in the number of significant coefficients with system size using the attenuated Coulomb metric. This means it is possible to design linear scaling auxiliary basis methods without additional approximations to treat large systems.