Sample records for ogdensburg kinetic energy

  1. MHK Projects/Ogdensburg Kinetic Energy Project | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand Jump to: navigation, searchOf KilaueaInformationCygnet <|Galway Bay IE < MHK

  2. Ogdensburg, New York: Energy Resources | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov YouKizildere I Geothermal Pwer PlantMunhall,Missouri: EnergyExcellenceOffice of State Lands and Investments

  3. Ogdensburg, New York: Energy Resources | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov YouKizildere I Geothermal Pwer PlantMunhall,Missouri: EnergyExcellenceOffice of State Lands and InvestmentsJump to:

  4. Dimensional enhancement of kinetic energies

    E-Print Network [OSTI]

    W. P. Schleich; J. P. Dahl

    2002-03-14T23:59:59.000Z

    Simple thermodynamics considers kinetic energy to be an extensive variable which is proportional to the number, N, of particles. We present a quantum state of N non-interacting particles for which the kinetic energy increases quadratically with N. This enhancement effect is tied to the quantum centrifugal potential whose strength is quadratic in the number of dimensions of configuration space.

  5. Amber Kinetics | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are being directedAnnual Siteof Energy 2,AUDITCaliforniaWeifangwikiAgouraAlbatechFuels JumpKinetics Jump to:

  6. Eco Kinetics | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are being directedAnnual SiteofEvaluating A Potential MicrohydroDistrictInformationEau ClaireEcoEco Kinetics Jump

  7. Classical kinetic energy, quantum fluctuation terms and kinetic-energy functionals

    E-Print Network [OSTI]

    I. P. Hamilton; Ricardo A. Mosna; L. Delle Site

    2007-04-08T23:59:59.000Z

    We employ a recently formulated dequantization procedure to obtain an exact expression for the kinetic energy which is applicable to all kinetic-energy functionals. We express the kinetic energy of an N-electron system as the sum of an N-electron classical kinetic energy and an N-electron purely quantum kinetic energy arising from the quantum fluctuations that turn the classical momentum into the quantum momentum. This leads to an interesting analogy with Nelson's stochastic approach to quantum mechanics, which we use to conceptually clarify the physical nature of part of the kinetic-energy functional in terms of statistical fluctuations and in direct correspondence with Fisher Information Theory. We show that the N-electron purely quantum kinetic energy can be written as the sum of the (one-electron) Weizsacker term and an (N-1)-electron kinetic correlation term. We further show that the Weizsacker term results from local fluctuations while the kinetic correlation term results from the nonlocal fluctuations. For one-electron orbitals (where kinetic correlation is neglected) we obtain an exact (albeit impractical) expression for the noninteracting kinetic energy as the sum of the classical kinetic energy and the Weizsacker term. The classical kinetic energy is seen to be explicitly dependent on the electron phase and this has implications for the development of accurate orbital-free kinetic-energy functionals. Also, there is a direct connection between the classical kinetic energy and the angular momentum and, across a row of the periodic table, the classical kinetic energy component of the noninteracting kinetic energy generally increases as Z increases.

  8. average kinetic energy: Topics by E-print Network

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

    energy by kinetic averaging Pierre-Emmanuel Jabin Ecole Normale Sup-Landau energy for two dimensional divergence free fields ap- pearing in the gradient theory of...

  9. Kinetic Energy Systems | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdfGetecGtelInteriasIowa:Washington:Kimble County, Texas: Energy

  10. Kinetic Energy LLC | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are being directedAnnual SiteofEvaluatingGroup |Jilin Zhongdiantou New EnergyKenosistecKilara Power Pvt

  11. Rotational and divergent kinetic energy in the mesoscale model ALADIN

    E-Print Network [OSTI]

    Zagar, Nedjeljka

    energy, divergent energy, ALADIN, limited-area modelling 1. Introduction Horizontal divergenceRotational and divergent kinetic energy in the mesoscale model ALADIN By V. BLAZ ICA1 *, N. Z AGAR1 received 7 June 2012; in final form 7 March 2013) ABSTRACT Kinetic energy spectra from the mesoscale

  12. Negative kinetic energy term of general relativity and its removing

    E-Print Network [OSTI]

    T. Mei

    2009-03-30T23:59:59.000Z

    We first present a new Lagrangian of general relativity, which can be divided into kinetic energy term and potential energy term. Taking advantage of vierbein formalism, we reduce the kinetic energy term to a sum of five positive terms and one negative term. Some gauge conditions removing the negative kinetic energy term are discussed. Finally, we present a Lagrangian that only include positive kinetic energy terms. To remove the negative kinetic energy term leads to a new field equation of general relativity in which there are at least five equations of constraint and at most five dynamical equations, this characteristic is different from the normal Einstein field equation in which there are four equations of constraint and six dynamical equations.

  13. An action with positive kinetic energy term for general relativity

    E-Print Network [OSTI]

    T. Mei

    2007-11-02T23:59:59.000Z

    At first, we state some results in arXiv: 0707.2639, and then, using a positive kinetic energy coordinate condition given by arXiv: 0707.2639, we present an action with positive kinetic energy term for general relativity. Based on this action, the corresponding theory of canonical quantization is discussed.

  14. Zero kinetic energy photoelectron spectroscopy of triphenylene

    SciTech Connect (OSTI)

    Harthcock, Colin; Zhang, Jie; Kong, Wei, E-mail: wei.kong@oregonstate.edu [Department of Chemistry, Oregon State University, Corvallis, Oregon 97331 (United States)

    2014-06-28T23:59:59.000Z

    We report vibrational information of both the first electronically excited state and the ground cationic state of jet-cooled triphenylene via the techniques of resonantly enhanced multiphoton ionization (REMPI) and zero kinetic energy (ZEKE) photoelectron spectroscopy. The first excited electronic state S{sub 1} of the neutral molecule is of A{sub 1}? symmetry and is therefore electric dipole forbidden in the D{sub 3h} group. Consequently, there are no observable Franck-Condon allowed totally symmetric a{sub 1}? vibrational bands in the REMPI spectrum. All observed vibrational transitions are due to Herzberg-Teller vibronic coupling to the E? third electronically excited state S{sub 3}. The assignment of all vibrational bands as e? symmetry is based on comparisons with calculations using the time dependent density functional theory and spectroscopic simulations. When an electron is eliminated, the molecular frame undergoes Jahn-Teller distortion, lowering the point group to C{sub 2v} and resulting in two nearly degenerate electronic states of A{sub 2} and B{sub 1} symmetry. Here we follow a crude treatment by assuming that all e? vibrational modes resolve into b{sub 2} and a{sub 1} modes in the C{sub 2v} molecular frame. Some observed ZEKE transitions are tentatively assigned, and the adiabatic ionization threshold is determined to be 63?365 ± 7 cm{sup ?1}. The observed ZEKE spectra contain a consistent pattern, with a cluster of transitions centered near the same vibrational level of the cation as that of the intermediate state, roughly consistent with the propensity rule. However, complete assignment of the detailed vibrational structure due to Jahn-Teller coupling requires much more extensive calculations, which will be performed in the future.

  15. Spectral Cascade and Energy Dissipation in Kinetic Alfven Wave Turbulence

    E-Print Network [OSTI]

    Lin, Zhihong

    Spectral Cascade and Energy Dissipation in Kinetic Alfv´en Wave Turbulence Xi Cheng, Zhihong Lin energy sources at large spatial scales. The energy of these non- linearly interacting Alfven waves. 2000). The wave-particle energy exchange rates of these channels depend on the spectral properties near

  16. atom kinetic energy: Topics by E-print Network

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

    .self-consistent Thomas Fermi TF atom discussed w Kais, Sabre 3 Towards an exact orbital-free single-particle kinetic energy density for the inhomogeneous electron liquid in the...

  17. Temporal Variations in the Sun's Rotational Kinetic Energy

    E-Print Network [OSTI]

    H. M. Antia; S. M. Chitre; D. O. Gough

    2007-11-06T23:59:59.000Z

    AIM: To study the variation of the angular momentum and the rotational kinetic energy of the Sun, and associated variations in the gravitational multipole moments, on a timescale of the solar cycle. METHOD: Inverting helioseismic rotational splitting data obtained by the Global Oscillation Network Group and by the Michelson Doppler Imager on the Solar and Heliospheric Observatory. RESULTS: The temporal variation in angular momentum and kinetic energy at high latitudes (>\\pi/4) through the convection zone is positively correlated with solar activity, whereas at low latitudes it is anticorrelated, except for the top 10% by radius where both are correlated positively. CONCLUSION: The helioseismic data imply significant temporal variation in the angular momentum and the rotational kinetic energy, and in the gravitational multipole moments. The properties of that variation will help constrain dynamical theories of the solar cycle.

  18. AER NY Kinetics LLC | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand Jump to:Ezfeedflag JumpID-fTriWildcat 1 WindtheEnergySulfonate asAEE Solar Jump to: navigation,AEPAER

  19. Philips Color Kinetics | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are being directedAnnual SiteofEvaluatingGroupPerfectenergy International Limited

  20. Kinetic Wave Power | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand Jump to: navigation, searchOf Kilauea Volcano, Hawaii |Island,KasVinod Privatea metamorphic

  1. Crystallization Kinetics and Excess Free Energy of H2O and D2O...

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

    Crystallization Kinetics and Excess Free Energy of H2O and D2O Nanoscale Films of Amorphous Solid Water. Crystallization Kinetics and Excess Free Energy of H2O and D2O Nanoscale...

  2. Plasmadynamics and ionization kinetics of thermionic energy conversion

    SciTech Connect (OSTI)

    Lawless, J.L. Jr.; Lam, S.H.

    1982-02-01T23:59:59.000Z

    To reduce the plasma arc-drop, thermionic energy conversion is studied with both analytical and numerical tools. Simplifications are made in both the plasmadynamic and ionization-recombination theories. These are applied to a scheme proposed presently using laser irradiation to enhance the ionization kinetics of the thermionic plasma and thereby reduce the arc-drop. It is also predicted that it is possible to generate the required laser light from a thermionic-type cesium plasma. The analysis takes advantage of theoretical simplifications derived for the ionization-recombination kinetics. It is shown that large laser ionization enhancements can occur and that collisional cesium recombination lasing is expected. To complement the kinetic theory, a numerical method is developed to solve the thermionic plasma dynamics. To combine the analysis of ionization-recombination kinetics with the plasma dynamics of thermionic conversion, a finite difference computer program is constructed. It is capable of solving for both unsteady and steady thermionic converter behavior including possible laser ionization enhancement or atomic recombination lasing. A proposal to improve thermionic converter performance using laser radiation is considered. In this proposed scheme, laser radiation impinging on a thermionic plasma enhances the ionization process thereby raising the plasma density and reducing the plasma arc-drop. A source for such radiation may possibly be a cesium recombination laser operating in a different thermionic converter. The possibility of this being an energy efficient process is discussed. (WHK)

  3. Amber Kinetics, Inc. Smart Grid Demonstration Project | Open Energy

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are being directedAnnual Siteof Energy 2,AUDITCaliforniaWeifangwikiAgouraAlbatechFuels JumpKinetics Jump

  4. Plasmadynamics and ionization kinetics of thermionic energy conversion

    SciTech Connect (OSTI)

    Lawless, J.L. Jr.

    1981-01-01T23:59:59.000Z

    To reduce the plasma arc-drop, thermionic energy conversion is studied with both analytical and numerical tools. Simplifications are made in both the plasmadynamic and ionization-recombination theories. These are applied to a scheme proposed presently using laser irradiation to enhance the ionization kinetics of the thermionic plasma and thereby reduce the arc-drop. It is also predicted that it is possible to generate the required laser light from a thermionic-type Cesium plasma. The analysis takes advantage of theoretical simplifications derived for the ionization-recombination kinetics. It is shown that large laser ionization enhancements can occur and that collisional Cesium recombination lasing is expected. To complement the kinetic theory, a numerical method is developed to solve the thermionic plasma dynamics. The effects of the complete system of electron-atom inelastic collisions on the ionization-recombination problem are shown to reduce to a system nearly as simple as the well-known one-quantum approximation. To combine the above analysis of ionization-recombination kinetics with the plasma dynamics of thermionic conversion, a finite difference computer program is constructed. Using the above developments, a proposal to improve thermionic converter performance using laser radiation is considered. In this proposed scheme, laser radiation impinging on a thermionic plasma enhances the ionization process thereby raising the plasma density and reducing the plasma arc-drop. A source for such radiation may possibly be a Cesium recombination laser operating in a different thermionic converter. The possibility of this being an energy efficient process is discussed.

  5. Rydberg and pulsed field ionization-zero electron kinetic energy spectra Colan Linton

    E-Print Network [OSTI]

    Morse, Michael D.

    Rydberg and pulsed field ionization-zero electron kinetic energy spectra of YO Colan Linton Physics, zero electron kinetic energy PFI-ZEKE investigation. The results provide accurate values of the ionization energy of YO, ionization energy I.E. YO 49 304.316 31 cm 1 6.112 958 4 eV , and of the rotational

  6. On a Broken Formal Symmetry between Kinetic and Gravitational Energy

    E-Print Network [OSTI]

    Armin Nikkhah Shirazi

    2014-07-16T23:59:59.000Z

    Historically, the discovery of symmetries has played an important role in the progress of our fundamental understanding of nature. This paper will demonstrate that there exists in Newtonian theory in a spherical gravitational field a formal symmetry between the kinetic (KE) and gravitational potential energy (GPE) of a test mass. Put differently, there exists a way of expressing GPE such that the form of the mathematical expression remains invariant under an interchange of KE and GPE. When extended to relativity by a suitable assumption, it leads to a framework that bridges the general relativistic and Newtonian conceptions of gravitational energy, even though the symmetry is broken except in the infinitesimal limit. Recognizing this symmetry at infinitesimal scales makes it possible to write a relativistic equation of an individual graviton, the properties of which under under one interpretation may be unexpected.

  7. On spherically symmetric metric satisfying the positive kinetic energy coordinate condition

    E-Print Network [OSTI]

    T. Mei

    2008-02-28T23:59:59.000Z

    Generally speaking, there is a negative kinetic energy term in the Lagrangian of the Einstein-Hilbert action of general relativity; On the other hand, the negative kinetic energy term can be vanished by designating a special coordinate system. For general spherically symmetric metric, the question that seeking special coordinate system that satisfies the positive kinetic energy coordinate condition is referred to solving a linear first-order partial differential equation. And then, we present a metric corresponding to the Reissner-Nordstrom solution that satisfies the positive kinetic energy coordinate condition. Finally, we discuss simply the case of the Tolman metric.

  8. Kinetic Energy Driven Pairing in Cuprate Superconductors Th. A. Maier,1

    E-Print Network [OSTI]

    Jarrell, Mark

    Kinetic Energy Driven Pairing in Cuprate Superconductors Th. A. Maier,1 M. Jarrell,2 A. Macridin,2, Tennessee 37831-6164, USA 2 Department of Physics, University of Cincinnati, Cincinnati Ohio 45221, USA 3 of the electronic potential energy accompanied by an increase in kinetic energy. In the underdoped cuprates, optical

  9. Seasonal Modulation of Eddy Kinetic Energy and Its Formation Mechanism in the Southeast Indian Ocean

    E-Print Network [OSTI]

    Qiu, Bo

    energy and exert profound impacts on large-scale ocean circulations. Satellite altimeter ob- servations- sociations with the large-scale oceanic circulations and the climate. The global eddy kinetic energy (EKESeasonal Modulation of Eddy Kinetic Energy and Its Formation Mechanism in the Southeast Indian

  10. The Excitation Energy Dependence of the Total Kinetic Energy Release in 235U(n,f)

    E-Print Network [OSTI]

    R. Yanez; L. Yao; J. King; W. Loveland; F. Tovesson; N. Fotiades

    2014-03-18T23:59:59.000Z

    The total kinetic energy release in the neutron induced fission of $^{235}$U was measured (using white spectrum neutrons from LANSCE) for neutron energies from E$_{n}$ = 3.2 to 50 MeV. In this energy range the average post-neutron total kinetic energy release drops from 167.4 $\\pm$ 0.7 to 162.1 $\\pm$ 0.8 MeV, exhibiting a local dip near the second chance fission threshold. The values and the slope of the TKE vs. E$_{n}$ agree with previous measurements but do disagree (in magnitude) with systematics. The variances of the TKE distributions are larger than expected and apart from structure near the second chance fission threshold, are invariant for the neutron energy range from 11 to 50 MeV. We also report the dependence of the total excitation energy in fission, TXE, on neutron energy.

  11. Utilization of rotor kinetic energy storage for hybrid vehicles

    DOE Patents [OSTI]

    Hsu, John S. (Oak Ridge, TN)

    2011-05-03T23:59:59.000Z

    A power system for a motor vehicle having an internal combustion engine, the power system comprises an electric machine (12) further comprising a first excitation source (47), a permanent magnet rotor (28) and a magnetic coupling rotor (26) spaced from the permanent magnet rotor and at least one second excitation source (43), the magnetic coupling rotor (26) also including a flywheel having an inertial mass to store kinetic energy during an initial acceleration to an operating speed; and wherein the first excitation source is electrically connected to the second excitation source for power cycling such that the flywheel rotor (26) exerts torque on the permanent magnet rotor (28) to assist braking and acceleration of the permanent magnet rotor (28) and consequently, the vehicle. An axial gap machine and a radial gap machine are disclosed and methods of the invention are also disclosed.

  12. Mass independent kinetic energy reducing inlet system for vacuum environment

    DOE Patents [OSTI]

    Reilly, Peter T.A.

    2014-05-13T23:59:59.000Z

    A particle inlet system comprises a first chamber having a limiting orifice for an incoming gas stream and a micrometer controlled expansion slit. Lateral components of the momentum of the particles are substantially cancelled due to symmetry of the configuration once the laminar flow converges at the expansion slit. The particles and flow into a second chamber, which is maintained at a lower pressure than the first chamber, and then moves into a third chamber including multipole guides for electromagnetically confining the particle. The vertical momentum of the particles descending through the center of the third chamber is minimized as an upward stream of gases reduces the downward momentum of the particles. The translational kinetic energy of the particles is near-zero irrespective of the mass of the particles at an exit opening of the third chamber, which may be advantageously employed to provide enhanced mass resolution in mass spectrometry.

  13. Mass independent kinetic energy reducing inlet system for vacuum environment

    DOE Patents [OSTI]

    Reilly, Peter T. A. [Knoxville, TN

    2010-12-14T23:59:59.000Z

    A particle inlet system comprises a first chamber having a limiting orifice for an incoming gas stream and a micrometer controlled expansion slit. Lateral components of the momentum of the particles are substantially cancelled due to symmetry of the configuration once the laminar flow converges at the expansion slit. The particles and flow into a second chamber, which is maintained at a lower pressure than the first chamber, and then moves into a third chamber including multipole guides for electromagnetically confining the particle. The vertical momentum of the particles descending through the center of the third chamber is minimized as an upward stream of gases reduces the downward momentum of the particles. The translational kinetic energy of the particles is near-zero irrespective of the mass of the particles at an exit opening of the third chamber, which may be advantageously employed to provide enhanced mass resolution in mass spectrometry.

  14. Mass independent kinetic energy reducing inlet system for vacuum environment

    DOE Patents [OSTI]

    Reilly, Peter T.A.

    2013-12-03T23:59:59.000Z

    A particle inlet system comprises a first chamber having a limiting orifice for an incoming gas stream and a micrometer controlled expansion slit. Lateral components of the momentum of the particles are substantially cancelled due to symmetry of the configuration once the laminar flow converges at the expansion slit. The particles and flow into a second chamber, which is maintained at a lower pressure than the first chamber, and then moves into a third chamber including multipole guides for electromagnetically confining the particle. The vertical momentum of the particles descending through the center of the third chamber is minimized as an upward stream of gases reduces the downward momentum of the particles. The translational kinetic energy of the particles is near-zero irrespective of the mass of the particles at an exit opening of the third chamber, which may be advantageously employed to provide enhanced mass resolution in mass spectrometry.

  15. A new water anomaly: the temperature dependence of the proton mean kinetic energy

    E-Print Network [OSTI]

    Davide Flammini; Fabio Bruni; Maria Antonietta Ricci

    2009-01-28T23:59:59.000Z

    The mean kinetic energy of protons in water is determined by Deep Inelastic Neutron Scattering experiments, performed above and below the temperature of maximum density and in the supercooled phase. The temperature dependence of this energy shows an anomalous behavior, as it occurs for many water properties. In particular two regions of maximum kinetic energy are identified: the first one, in the supercooled phase in the range 269 K - 272 K, and a second one above 273 K. In both these regions the measured proton kinetic energy exceedes the theoretical prediction based on a semi-classical model. Noteworthy, the proton mean kinetic energy has a maximum at 277 K, the temperature of the maximum density of water. In the supercooled metastable phase the measured mean kinetic energy and the proton momentum distribution clearly indicate proton delocalization between two H-bonded oxygens.

  16. An Energy Localization Principle and its Application to Fast Kinetic Monte Carlo Simulation of Heteroepitaxial

    E-Print Network [OSTI]

    Schulze, Tim

    An Energy Localization Principle and its Application to Fast Kinetic Monte Carlo Simulation of Michigan, Ann Arbor, MI 48109-1109 Abstract Simulation of heteroepitaxial growth using kinetic Monte Carlo (KMC) is often based on rates determined by differences in elastic energy between two configurations

  17. The distribution of eddy kinetic and potential energies in the global ocean

    E-Print Network [OSTI]

    Ferrari, Raffaele

    Understanding of the major sources, sinks, and reservoirs of energy in the ocean is briefly updated in a diagram. The nature of the dominant kinetic energy reservoir, that of the balanced variablity, is then found to be ...

  18. High-energy interactions in Kinetic Inductance Detectors arrays

    E-Print Network [OSTI]

    D'Addabbo, A; Goupy, J; Benoit, A; Bourrion, O; Catalano, A; Macias-Perez, J F; Monfardini, A

    2015-01-01T23:59:59.000Z

    The impacts of Cosmic Rays on the detectors are a key problem for space-based missions. We are studying the effects of such interactions on arrays of Kinetic Inductance Detectors (KID), in order to adapt this technology for use on board of satellites. Before proposing a new technology such as the Kinetic Inductance Detectors for a space-based mission, the problem of the Cosmic Rays that hit the detectors during in-flight operation has to be studied in detail. We present here several tests carried out with KID exposed to radioactive sources, which we use to reproduce the physical interactions induced by primary Cosmic Rays, and we report the results obtained adopting different solutions in terms of substrate materials and array geometries. We conclude by outlining the main guidelines to follow for fabricating KID for space-based applications.

  19. Barotropic Impacts of Surface Friction on Eddy Kinetic Energy and Momentum Fluxes: An Alternative to the Barotropic Governor

    E-Print Network [OSTI]

    Garfinkel, Chaim I.

    Barotropic Impacts of Surface Friction on Eddy Kinetic Energy and Momentum Fluxes: An Alternative energy decreases, a response that is inconsistent with the conventional barotropic governor mechanism on eddy momentum fluxes and eddy kinetic energy. Analysis of the pseudomomentum budget shows

  20. Analytic results for Gaussian wave packets in four model systems: I. Visualization of the kinetic energy

    E-Print Network [OSTI]

    R. W. Robinett; L. C. Bassett

    2004-08-06T23:59:59.000Z

    Using Gaussian wave packet solutions, we examine how the kinetic energy is distributed in time-dependent solutions of the Schrodinger equation corresponding to the cases of a free particle, a particle undergoing uniform acceleration, a particle in a harmonic oscillator potential, and a system corresponding to an unstable equilibrium. We find, for specific choices of initial parameters, that as much as 90% of the kinetic energy can be localized (at least conceptually) in the `front half' of such Gaussian wave packets, and we visualize these effects.

  1. Mesoscale Equipartition of kinetic energy in Quantum Turbulence

    E-Print Network [OSTI]

    Salort, Julien; Lévêque, Emmanuel; 10.1209/0295-5075/94/24001

    2012-01-01T23:59:59.000Z

    The turbulence of superfluid helium is investigated numerically at finite temperature. Direct numerical simulations are performed with a "truncated HVBK" model, which combines the continuous description of the Hall-Vinen-Bekeravich-Khalatnikov equations with the additional constraint that this continuous description cannot extend beyond a quantum length scale associated with the mean spacing between individual superfluid vortices. A good agreement is found with experimental measurements of the vortex density. Besides, by varying the turbulence intensity only, it is observed that the inter-vortex spacing varies with the Reynolds number as $Re^{-3/4}$, like the viscous length scale in classical turbulence. In the high temperature limit, Kolmogorov's inertial cascade is recovered, as expected from previous numerical and experimental studies. As the temperature decreases, the inertial cascade remains present at large scales while, at small scales, the system evolves towards a statistical equipartition of kinetic ...

  2. Wind turbines convert the kinetic energy in moving air into rotational energy, which in turn is converted

    E-Print Network [OSTI]

    Massachusetts at Amherst, University of

    Wind turbines convert the kinetic energy in moving air into rotational energy, which in turn is converted to electricity. Since wind speeds vary from month to month and second to second, the amount of electricity wind can make varies constantly. Sometimes a wind turbine will make no power at all

  3. 4A.5 DERIVING TURBULENT KINETIC ENERGY DISSIPATION RATE WITHIN CLOUDS USING GROUND BASED 94 GHZ RADAR

    E-Print Network [OSTI]

    Hogan, Robin

    Terrestre et Plan´etaire, V´elizy, France University of Reading, Reading, United Kingdom 1. INTRODUCTION. The variance 1 #12;v 2 of the mean wind is an indicator of the kinetic energy in turbulent scales4A.5 DERIVING TURBULENT KINETIC ENERGY DISSIPATION RATE WITHIN CLOUDS USING GROUND BASED 94 GHZ

  4. The propagation of kinetic energy across scales in turbulent flows

    E-Print Network [OSTI]

    Cardesa, José I; Dong, Siwei; Jiménez, Javier

    2015-01-01T23:59:59.000Z

    A temporal study of energy transfer across length scales is performed in 3D numerical simulations of homogeneous shear flow and isotropic turbulence, at Reynolds numbers in the range $Re_{\\lambda}=107-384$. The average time taken by perturbations in the energy flux to travel between scales is measured and shown to be additive, as inferred from the agreement between the total travel time from a given scale to the smallest dissipative motions, and the time estimated from successive jumps through intermediate scales. Our data suggests that the propagation of disturbances in the energy flux is independent of the forcing and that it defines a `velocity' that determines the energy flux itself. These results support that the cascade is, on average, a scale-local process where energy is continuously transmitted from one scale to the next in order of decreasing size.

  5. CO2 sticking on Pt(111); the role of kinetic energy and internal degrees of freedom

    E-Print Network [OSTI]

    Persson, Mats

    CO2 sticking on Pt(111); the role of kinetic energy and internal, S-412 96, G"oteborg, Sweden Abstract CO2 adsorbed measurements of non-dissociative sticking coefficient, S0, of CO2 on the Pt(111) surfac* *e

  6. Wave Turbulence in Superfluid 4 Energy Cascades, Rogue Waves & Kinetic Phenomena

    E-Print Network [OSTI]

    Fominov, Yakov

    Outline Wave Turbulence in Superfluid 4 He: Energy Cascades, Rogue Waves & Kinetic Phenomena Conference, Chernogolovka, 3 August 2009 McClintock Efimov Ganshin Kolmakov Mezhov-Deglin Wave Turbulence in Superfluid 4 He #12;Outline Outline 1 Introduction Motivation 2 Modelling wave turbulence Need for models

  7. Low-Energy Electron Microscopy Studies of Interlayer Mass Transport Kinetics on TiN(111)

    E-Print Network [OSTI]

    Israeli, Navot

    Low-Energy Electron Microscopy Studies of Interlayer Mass Transport Kinetics on TiN(111) S annealing of three-dimensional (3D) TiN(111) mounds, consisting of stacked 2D islands, at temperatures-limited decay of 2D TiN islands on atomically-flat TiN(111) terraces [Phys. Rev. Lett. 89 (2002) 176102

  8. Energy stability analysis for a hybrid fluid-kinetic plasma model

    E-Print Network [OSTI]

    Philip J. Morrison; Emanuele Tassi; Cesare Tronci

    2013-06-11T23:59:59.000Z

    In plasma physics, a hybrid fluid-kinetic model is composed of a magnetohydrodynamics (MHD) part that describes a bulk fluid component and a Vlasov kinetic theory part that describes an energetic plasma component. While most hybrid models in the plasma literature are non-Hamiltonian, this paper investigates a recent Hamiltonian variant in its two-dimensional configuration. The corresponding Hamiltonian structure is described along with its Casimir invariants. Then, the energy-Casimir method is used to derive explicit sufficient stability conditions, which imply a stable spectrum and suggest nonlinear stability.

  9. Matrix representation of the nonlocal kinetic energy operator, the spinless Salpeter equation and the Cornell potential

    SciTech Connect (OSTI)

    Fulcher, L.P. (Department of Physics and Astronomy, Bowling Green State University, Bowling Green, Ohio 43403-0224 (United States))

    1994-07-01T23:59:59.000Z

    A new procedure for solving the spinless Salpeter equation is developed. This procedure is implemented with the Cornell potential, where all of the required matrix elements can be calculated from analytic expressions in a convenient basis. Beginning with analytic results for the square of the momentum operator, the matrix elements of the nonlocal kinetic energy operator are obtained from an algorithm that computes the square root of the square of the relativistic kinetic energy operator. Results calculated with the spinless Salpeter equation are compared with those obtained from Schroedinger's equation for heavy-quark systems, heavy-light systems, and light-quark systems. In each case the Salpeter energies agree with experiment substantially better than the Schroedinger energies.

  10. MHK Technologies/Kinetic Hydropower System KHPS | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand Jump to: navigation, searchOfRose Bend < MHK ProjectsFlagship <HelixKESC Tidal GeneratorKHPS

  11. Chemical Kinetic Modeling of Fuels | Department of Energy

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels DataDepartment of Energy Your Density Isn't Your Destiny: Theof EnergyAdministration-DesertofSuccessTroy A. Semelsberger LosFuels

  12. Micro Hydro Kinetic Turbines from Smart Hydro Power | Open Energy

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand Jump to: navigation, searchOfRose BendMiasole Inc Jump to:Michigan/Wind Resources/Full

  13. Harvesting Kinetic Energy with Switched-Inductor DCDC Converters

    E-Print Network [OSTI]

    Rincon-Mora, Gabriel A.

    the highest output power density, except when supplied from indoor lighting under which conditions power energy in motion may not compete with solar power but, in contrast to indoor lighting and thermal sources, moderate and consistent output power across a vast range of applications is typical [3]­[4]. Although

  14. Kinetics of Lithium Insertion into Silicon Adodes | Department of Energy

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels DataDepartment of Energy Your Density Isn't YourTransport(FactDepartment ofLetter Report:40PM to 2:05PM PDTKimberlee Kearfott

  15. Extraction of Equilibrium Energy and Kinetic Parameters from Single

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Science (SC) Environmental Assessments (EA) /EmailMolecularGE, Ford,Extracting the

  16. J. Phys. Chem. 1995, 99, 1633-1636 1633 Negative Ion Zero Electron Kinetic Energy Spectroscopy of I-*CH3I

    E-Print Network [OSTI]

    Neumark, Daniel M.

    J. Phys. Chem. 1995, 99, 1633-1636 1633 Negative Ion Zero Electron Kinetic Energy Spectroscopy of I: October IO,1994@ The negative ion zero electron kinetic energy (ZEKE) spectrum of I-H3I is presented ion zero electron kinetic energy (ZEKE) spectrum of I-CH3I in which we observe that the neutralcomplex

  17. Monte-Carlo simulation for fragment mass and kinetic energy distributions from neutron induced fission of 235U

    E-Print Network [OSTI]

    Montoya, M; Rojas, J

    2007-01-01T23:59:59.000Z

    The mass and kinetic energy distribution of nuclear fragments from thermal neutron induced fission of 235U have been studied using a Monte-Carlo simulation. Besides reproducing the pronounced broadening on the standard deviation of the final fragment kinetic energy distribution $\\sigma_{e}(m)$ around the mass number m = 109, our simulation also produces a second broadening around m = 125, that is in agreement with the experimental data obtained by Belhafaf et al. These results are consequence of the characteristics of the neutron emission, the variation in the primary fragment mean kinetic energy and the yield as a function of the mass.

  18. Turbulent Kinetic Energy in the Oklahoma City Urban Environment

    SciTech Connect (OSTI)

    Lundquist, J; Leach, M; Gouveia, F

    2004-06-24T23:59:59.000Z

    A major field experiment, Joint URBAN 2003 (JU2003), was conducted in Oklahoma City in July 2003 to collect meteorological and tracer data sets for evaluating dispersion models in urban areas. The Department of Homeland Security and the Defense Threat Reduction Agency were the primary sponsors of JU2003. Investigators from five Department of Energy national laboratories, several other government agencies, universities, private companies, and international agencies conducted the experiment. Observations to characterize the meteorology in and around the urban area complemented the observation of the dispersion of SF6, an inert tracer gas. Over one hundred threedimensional sonic anemometers were deployed in and around the urban area to monitor wind speed, direction, and turbulence fluxes during releases of SF6. Sonic deployment locations included a profile of eight sonic anemometers mounted on a crane less than 1 km north of the central business district (CBD). Using data from these and other sonic anemometers deployed in the urban area, we can quantify the effect of the urban area on atmospheric turbulence and compare results seen in OKC to those in other urban areas to assess the parameters typically used in parameterizations of urban turbulence.

  19. Measuring kinetic energy changes in the mesoscale with low acquisition rates

    SciTech Connect (OSTI)

    Roldán, É. [ICFO–Institut de Ciències Fotòniques, Mediterranean Technology Park, Av. Carl Friedrich Gauss 3, 08860 Castelldefels (Barcelona) (Spain); GISC–Grupo Interdisciplinar de Sistemas Complejos, Madrid (Spain); Martínez, I. A.; Rica, R. A., E-mail: rul@ugr.es [ICFO–Institut de Ciències Fotòniques, Mediterranean Technology Park, Av. Carl Friedrich Gauss 3, 08860 Castelldefels (Barcelona) (Spain); Dinis, L. [GISC–Grupo Interdisciplinar de Sistemas Complejos, Madrid (Spain); Departamento de Física Atómica, Molecular y Nuclear, Universidad Complutense de Madrid, 28040 Madrid (Spain)

    2014-06-09T23:59:59.000Z

    We report on the measurement of the average kinetic energy changes in isothermal and non-isothermal quasistatic processes in the mesoscale, realized with a Brownian particle trapped with optical tweezers. Our estimation of the kinetic energy change allows to access to the full energetic description of the Brownian particle. Kinetic energy estimates are obtained from measurements of the mean square velocity of the trapped bead sampled at frequencies several orders of magnitude smaller than the momentum relaxation frequency. The velocity is tuned applying a noisy electric field that modulates the amplitude of the fluctuations of the position and velocity of the Brownian particle, whose motion is equivalent to that of a particle in a higher temperature reservoir. Additionally, we show that the dependence of the variance of the time-averaged velocity on the sampling frequency can be used to quantify properties of the electrophoretic mobility of a charged colloid. Our method could be applied to detect temperature gradients in inhomogeneous media and to characterize the complete thermodynamics of biological motors and of artificial micro and nanoscopic heat engines.

  20. Systematics of Kinetic Freeze-out Properties in High Energy Collisions from STAR

    E-Print Network [OSTI]

    Lokesh Kumar

    2014-08-19T23:59:59.000Z

    The main aim of the RHIC Beam Energy Scan (BES) program is to explore the QCD phase diagram which includes search for a possible QCD critical point and the phase boundary between QGP and hadronic phase. We report the collision energy and centrality dependence of kinetic freeze-out properties from the measured mid-rapidity ($|y|energy $\\sqrt{s_{NN}} =$ 7.7, 11.5, 19.6, 27, and 39 GeV. The STAR detector, with a large uniform acceptance and excellent particle identification is used in the data collection and analysis. The kinetic freeze-out temperature $T_{\\rm{kin}}$ and average collective velocity $\\langle \\beta \\rangle$ parameters are extracted from blast-wave fits to the identified hadron spectra and systematically compared with the results from other collision energies including those at AGS, SPS and LHC. It is found that all results fall into an anti-correlation band in the 2-dimension ($T_{\\rm{kin}}$, $\\langle \\beta \\rangle$) distribution: the largest value of collective velocity and lowest temperature is reached in the most central collisions at the highest collision energy. The energy dependence of these freeze-out parameters are discussed.

  1. Simulations of Kinetic Events at the Atomic Scale | Department of Energy

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels DataDepartment of Energy Your Density Isn'tOriginEducationVideo »UsageSecretary of EnergyFocus GroupSherrell R.Chemical Kinetic

  2. Enhanced von Weizsäcker Wang-Govind-Carter kinetic energy density functional for semiconductors

    SciTech Connect (OSTI)

    Shin, Ilgyou [Department of Chemistry, Princeton University, Princeton, New Jersey 08544-1009 (United States)] [Department of Chemistry, Princeton University, Princeton, New Jersey 08544-1009 (United States); Carter, Emily A., E-mail: eac@princeton.edu [Department of Mechanical and Aerospace Engineering, Program in Applied and Computational Mathematics, and Andlinger Center for Energy and the Environment, Princeton University, Princeton, New Jersey 08544-5263 (United States)

    2014-05-14T23:59:59.000Z

    We propose a new form of orbital-free (OF) kinetic energy density functional (KEDF) for semiconductors that is based on the Wang-Govind-Carter (WGC99) nonlocal KEDF. We enhance within the latter the semi-local von Weizsäcker KEDF term, which is exact for a single orbital. The enhancement factor we introduce is related to the extent to which the electron density is localized. The accuracy of the new KEDF is benchmarked against Kohn-Sham density functional theory (KSDFT) by comparing predicted energy differences between phases, equilibrium volumes, and bulk moduli for various semiconductors, along with metal-insulator phase transition pressures. We also compare point defect and (100) surface energies in silicon for a broad test of its applicability. This new KEDF accurately reproduces the exact non-interacting kinetic energy of KSDFT with only one additional adjustable parameter beyond the three parameters in the WGC99 KEDF; it exhibits good transferability between semiconducting to metallic silicon phases and between various III-V semiconductors without parameter adjustment. Overall, this KEDF is more accurate than previously proposed OF KEDFs (e.g., the Huang-Carter (HC) KEDF) for semiconductors, while the computational efficiency remains at the level of the WGC99 KEDF (several hundred times faster than the HC KEDF). This accurate, fast, and transferable new KEDF holds considerable promise for large-scale OFDFT simulations of metallic through semiconducting materials.

  3. Calculating kinetics parameters and reactivity changes with continuous-energy Monte Carlo

    SciTech Connect (OSTI)

    Kiedrowski, Brian C [Los Alamos National Laboratory; Brown, Forrest B [Los Alamos National Laboratory; Wilson, Paul [UNIV. WISCONSIN

    2009-01-01T23:59:59.000Z

    The iterated fission probability interpretation of the adjoint flux forms the basis for a method to perform adjoint weighting of tally scores in continuous-energy Monte Carlo k-eigenvalue calculations. Applying this approach, adjoint-weighted tallies are developed for two applications: calculating point reactor kinetics parameters and estimating changes in reactivity from perturbations. Calculations are performed in the widely-used production code, MCNP, and the results of both applications are compared with discrete ordinates calculations, experimental measurements, and other Monte Carlo calculations.

  4. Einstein-Maxwell Dirichlet walls, negative kinetic energies, and the adiabatic approximation for extreme black holes

    E-Print Network [OSTI]

    Tomas Andrade; William R. Kelly; Donald Marolf

    2015-03-13T23:59:59.000Z

    The gravitational Dirichlet problem -- in which the induced metric is fixed on boundaries at finite distance from the bulk -- is related to simple notions of UV cutoffs in gauge/gravity duality and appears in discussions relating the low-energy behavior of gravity to fluid dynamics. We study the Einstein-Maxwell version of this problem, in which the induced Maxwell potential on the wall is also fixed. For flat walls in otherwise-asymptotically-flat spacetimes, we identify a moduli space of Majumdar-Papapetrou-like static solutions parametrized by the location of an extreme black hole relative to the wall. Such solutions may be described as balancing gravitational repulsion from a negative-mass image-source against electrostatic attraction to an oppositely-signed image charge. Standard techniques for handling divergences yield a moduli space metric with an eigenvalue that becomes negative near the wall, indicating a region of negative kinetic energy and suggesting that the Hamiltonian may be unbounded below. One may also surround the black hole with an additional (roughly spherical) Dirichlet wall to impose a regulator whose physics is more clear. Negative kinetic energies remain, though new terms do appear in the moduli-space metric. The regulator-dependence indicates that the adiabatic approximation may be ill-defined for classical extreme black holes with Dirichlet walls.

  5. Electromagnetic energy conversion in downstream fronts from three dimensional kinetic reconnection

    SciTech Connect (OSTI)

    Lapenta, Giovanni [Departement Wiskunde, KU Leuven, Universiteit Leuven (Belgium)] [Departement Wiskunde, KU Leuven, Universiteit Leuven (Belgium); Goldman, Martin; Newman, David [University of Colorado, Colorado 80309 (United States)] [University of Colorado, Colorado 80309 (United States); Markidis, Stefano [High Performance Computing and Visualization (HPCViz) Department, KTH Royal Institute of Technology, Stockholm (Sweden)] [High Performance Computing and Visualization (HPCViz) Department, KTH Royal Institute of Technology, Stockholm (Sweden); Divin, Andrey [Swedish Institute of Space Physics, Uppsala (Sweden)] [Swedish Institute of Space Physics, Uppsala (Sweden)

    2014-05-15T23:59:59.000Z

    The electromagnetic energy equation is analyzed term by term in a 3D simulation of kinetic reconnection previously reported by Vapirev et al. [J. Geophys. Res.: Space Phys. 118, 1435 (2013)]. The evolution presents the usual 2D-like topological structures caused by an initial perturbation independent of the third dimension. However, downstream of the reconnection site, where the jetting plasma encounters the yet unperturbed pre-existing plasma, a downstream front is formed and made unstable by the strong density gradient and the unfavorable local acceleration field. The energy exchange between plasma and fields is most intense at the instability, reaching several pW/m{sup 3}, alternating between load (energy going from fields to particles) and generator (energy going from particles to fields) regions. Energy exchange is instead purely that of a load at the reconnection site itself in a region focused around the x-line and elongated along the separatrix surfaces. Poynting fluxes are generated at all energy exchange regions and travel away from the reconnection site transporting an energy signal of the order of about S?10{sup ?3}W/m{sup 2}.

  6. Covalent bonds are created by the drive of electron waves to lower their kinetic energy through expansion

    SciTech Connect (OSTI)

    Schmidt, Michael W.; Ivanic, Joseph; Ruedenberg, Klaus

    2014-05-28T23:59:59.000Z

    An analysis based on the variation principle shows that in the molecules H2 +, H2, B2, C2, N2, O2, F2, covalent bonding is driven by the attenuation of the kinetic energy that results from the delocalization of the electronic wave function. For molecular geometries around the equilibrium distance, two features of the wave function contribute to this delocalization: (i) Superposition of atomic orbitals extends the electronic wave function from one atom to two or more atoms; (ii) intra-atomic contraction of the atomic orbitals further increases the inter-atomic delocalization. The inter-atomic kinetic energy lowering that (perhaps counter-intuitively) is a consequence of the intra-atomic contractions drives these contractions (which per se would increase the energy). Since the contractions necessarily encompass both, the intra-atomic kinetic and potential energy changes (which add to a positive total), the fact that the intra-atomic potential energy change renders the total potential binding energy negative does not alter the fact that it is the kinetic delocalization energy that drives the bond formation.

  7. Kinetic and electron-electron energies for convex sums of ground state densities with degeneracies and fractional electron number

    SciTech Connect (OSTI)

    Levy, Mel, E-mail: ayers@mcmaster.ca, E-mail: mlevy@tulane.edu [Department of Chemistry, Duke University, Durham, North Carolina 27708 (United States) [Department of Chemistry, Duke University, Durham, North Carolina 27708 (United States); Department of Physics, North Carolina A and T State University, Greensboro, North Carolina 27411 (United States); Department of Chemistry, Tulane University, New Orleans, Louisiana 70118 (United States); Anderson, James S. M.; Zadeh, Farnaz Heidar; Ayers, Paul W., E-mail: ayers@mcmaster.ca, E-mail: mlevy@tulane.edu [Department of Chemistry and Chemical Biology, McMaster University, Hamilton, Ontario (Canada)

    2014-05-14T23:59:59.000Z

    Properties of exact density functionals provide useful constraints for the development of new approximate functionals. This paper focuses on convex sums of ground-level densities. It is observed that the electronic kinetic energy of a convex sum of degenerate ground-level densities is equal to the convex sum of the kinetic energies of the individual degenerate densities. (The same type of relationship holds also for the electron-electron repulsion energy.) This extends a known property of the Levy-Valone Ensemble Constrained-Search and the Lieb Legendre-Transform refomulations of the Hohenberg-Kohn functional to the individual components of the functional. Moreover, we observe that the kinetic and electron-repulsion results also apply to densities with fractional electron number (even if there are no degeneracies), and we close with an analogous point-wise property involving the external potential. Examples where different degenerate states have different kinetic energy and electron-nuclear attraction energy are given; consequently, individual components of the ground state electronic energy can change abruptly when the molecular geometry changes. These discontinuities are predicted to be ubiquitous at conical intersections, complicating the development of universally applicable density-functional approximations.

  8. The isospin quartic term in the kinetic energy of neutron-rich nucleonic matter

    E-Print Network [OSTI]

    Cai, Bao-Jun

    2015-01-01T23:59:59.000Z

    The energy of a free gas of neutrons and protons is well known to be approximately isospin parabolic with a negligibly small quartic term of only $0.45$ MeV at the saturation density of nuclear matter $\\rho_0=0.16/\\rm{fm}^3$. Using an isospin-dependent single-nucleon momentum distribution including a high (low) momentum tail (depletion) with its shape parameters constrained by recent high-energy electron scattering and medium-energy nuclear photodisintegration experiments as well as the state-of-the-art calculations of the deuteron wave function and the equation of state of pure neutron matter near the unitary limit within several modern microscopic many-body theories, we show for the first time that the kinetic energy of interacting nucleons in neutron-rich nucleonic matter has a significant quartic term of $7.18\\pm2.52\\,\\rm{MeV}$. Such a large quartic term has significant ramifications in determining the equation of state of neutron-rich nucleonic matter using both terrestrial and astrophysical observables.

  9. The isospin quartic term in the kinetic energy of neutron-rich nucleonic matter

    E-Print Network [OSTI]

    Bao-Jun Cai; Bao-An Li

    2015-03-04T23:59:59.000Z

    The energy of a free gas of neutrons and protons is well known to be approximately isospin parabolic with a negligibly small quartic term of only $0.45$ MeV at the saturation density of nuclear matter $\\rho_0=0.16/\\rm{fm}^3$. Using an isospin-dependent single-nucleon momentum distribution including a high (low) momentum tail (depletion) with its shape parameters constrained by recent high-energy electron scattering and medium-energy nuclear photodisintegration experiments as well as the state-of-the-art calculations of the deuteron wave function and the equation of state of pure neutron matter near the unitary limit within several modern microscopic many-body theories, we show for the first time that the kinetic energy of interacting nucleons in neutron-rich nucleonic matter has a significant quartic term of $7.18\\pm2.52\\,\\rm{MeV}$. Such a large quartic term has significant ramifications in determining the equation of state of neutron-rich nucleonic matter using both terrestrial and astrophysical observables.

  10. Kinetic Energy Decay Rates of Supersonic and Super-Alfvenic Turbulence in Star-Forming Clouds

    E-Print Network [OSTI]

    Mordecai-Mark Mac Low; Ralf S. Klessen; Andreas Burkert; Michael D. Smith

    1997-12-01T23:59:59.000Z

    We present numerical studies of compressible, decaying turbulence, with and without magnetic fields, with initial rms Alfven and Mach numbers ranging up to five, and apply the results to the question of the support of star-forming interstellar clouds of molecular gas. We find that, in 1D, magnetized turbulence actually decays faster than unmagnetized turbulence. In all the regimes that we have studied 3D turbulence-super-Alfvenic, supersonic, sub-Alfvenic, and subsonic-the kinetic energy decays as (t-t0)^(-x), with 0.85 < x < 1.2. We compared results from two entirely different algorithms in the unmagnetized case, and have performed extensive resolution studies in all cases, reaching resolutions of 256^3 zones or 350,000 particles. We conclude that the observed long lifetimes and supersonic motions in molecular clouds must be due to external driving, as undriven turbulence decays far too fast to explain the observations.

  11. Study of the ArBr-, AC, and Krl-anions and the corresponding neutral van der Waals complexes by anion zero electron kinetic energy

    E-Print Network [OSTI]

    Neumark, Daniel M.

    by anion zero electron kinetic energy spectroscopy Yuexing Zhao, Ivan Yourshaw, Georg Reiser, Caroline C a zero electron kinetic energy @EKE) spectroscopy study of sev- eral rare gas halide (RgX-) anionsI-, and the corresponding open-shell van der Waals complexes, ArBr, ArI, and KrI, were studied with anion zero electron

  12. ON THE KINETIC ENERGY AND RADIATIVE EFFICIENCY OF GAMMA-RAY BURSTS Nicole M. Lloyd-Ronning1

    E-Print Network [OSTI]

    Zhang, Bing

    ON THE KINETIC ENERGY AND RADIATIVE EFFICIENCY OF GAMMA-RAY BURSTS Nicole M. Lloyd-Ronning1 of 17 gamma-ray bursts (GRBs) during the afterglow phase and ac- counting for radiative losses, we the implications of these results for the GRB radiation and jet models. Subject headinggs: gamma rays: bursts

  13. 3. A. A. Sadovoi and N. M. Chulkov, "Distribution of kinetic energy dissipation into thermal energy over a spherical shell thickness because of viscosity," in: Calculation Algorithms

    E-Print Network [OSTI]

    Alexandrov, Victor

    3. A. A. Sadovoi and N. M. Chulkov, "Distribution of kinetic energy dissipation into thermal energy over a spherical shell thickness because of viscosity," in: Calculation Algorithms of Engineering and N. M. Chulkov, "Inertial convergence of cylindrical and spherical shells of incompressible

  14. AGN JET KINETIC POWER AND THE ENERGY BUDGET OF RADIO GALAXY LOBES

    SciTech Connect (OSTI)

    Godfrey, L. E. H. [International Centre for Radio Astronomy Research, Curtin University, GPO Box U1987, Perth, WA 6102 (Australia)] [International Centre for Radio Astronomy Research, Curtin University, GPO Box U1987, Perth, WA 6102 (Australia); Shabala, S. S., E-mail: L.Godfrey@curtin.edu.au [School of Mathematics and Physics, Private Bag 37, University of Tasmania, Hobart, TAS 7001 (Australia)

    2013-04-10T23:59:59.000Z

    Recent results based on the analysis of radio galaxies and their hot X-ray emitting atmospheres suggest that non-radiating particles dominate the energy budget in the lobes of FR I radio galaxies, in some cases by a factor of more than 1000, while radiating particles dominate the energy budget in FR II radio galaxy lobes. This implies a significant difference in the radiative efficiency of the two morphological classes. To test this hypothesis, we have measured the kinetic energy flux for a sample of 3C FR II radio sources using a new method based on the observed parameters of the jet terminal hotspots, and compared the resulting Q{sub jet}-L{sub radio} relation to that obtained for FR I radio galaxies based on X-ray cavity measurements. Contrary to expectations, we find approximate agreement between the Q{sub jet}-L{sub radio} relations determined separately for FR I and FR II radio galaxies. This result is ostensibly difficult to reconcile with the emerging scenario in which the lobes of FR I and FR II radio galaxies have vastly different energy budgets. However, a combination of lower density environment, spectral aging and strong shocks driven by powerful FR II radio galaxies may reduce the radiative efficiency of these objects relative to FR Is and counteract, to some extent, the higher radiative efficiency expected to arise due to the lower fraction of energy in non-radiating particles. An unexpected corollary is that extrapolating the Q{sub jet}-L{sub radio} relation determined for low power FR I radio galaxies provides a reasonable approximation for high power sources, despite their apparently different lobe compositions.

  15. Free Energy & Kinetics from Molecular Dynamics Objective: To give a presentation of about 60 minutes at the end of the week covering the key aspects of how to get kinetic

    E-Print Network [OSTI]

    Goldschmidt, Christina

    Free Energy & Kinetics from Molecular Dynamics 14.6.10 Objective: To give a presentation of about of determining macroscopic parameters by simulations. One of the most important examples would be free energy and rate constants. The above illustration is the standard description of free energy and rates of going

  16. Position and energy-resolved particle detection using phonon-mediated microwave kinetic inductance detectors

    SciTech Connect (OSTI)

    Moore, D. C.; Golwala, S. R.; Cornell, B. [Division of Physics, Mathematics and Astronomy, California Institute of Technology, Pasadena, California 91125 (United States); Bumble, B.; Day, P. K.; LeDuc, H. G. [Jet Propulsion Laboratory, California Institute of Technology, Pasadena, California 91109 (United States); Zmuidzinas, J. [Division of Physics, Mathematics and Astronomy, California Institute of Technology, Pasadena, California 91125 (United States); Jet Propulsion Laboratory, California Institute of Technology, Pasadena, California 91109 (United States)

    2012-06-04T23:59:59.000Z

    We demonstrate position and energy-resolved phonon-mediated detection of particle interactions in a silicon substrate instrumented with an array of microwave kinetic inductance detectors (MKIDs). The relative magnitude and delay of the signal received in each sensor allow the location of the interaction to be determined with < or approx. 1mm resolution at 30 keV. Using this position information, variations in the detector response with position can be removed, and an energy resolution of {sigma}{sub E} = 0.55 keV at 30 keV was measured. Since MKIDs can be fabricated from a single deposited film and are naturally multiplexed in the frequency domain, this technology can be extended to provide highly pixelized athermal phonon sensors for {approx}1 kg scale detector elements. Such high-resolution, massive particle detectors would be applicable to rare-event searches such as the direct detection of dark matter, neutrinoless double-beta decay, or coherent neutrino-nucleus scattering.

  17. Kinetic energy deficit in the symmetric fission of /sup 259/Md. [Light particle emission in /sup 256/Fm fission

    SciTech Connect (OSTI)

    Hulet, E.K.; Wild, J.F.; Lougheed, R.W.; Baisden, P.A.; Dougan, R.J.; Mustafa, M.G.

    1980-10-01T23:59:59.000Z

    The fragment energies of about 725 coincidence events have now been observed in the spontaneous fission (SF) decay of 105-min /sup 259/Md since its discovery in 1977. The fission of /sup 259/Md is characterized by a symmetric mass distribution, similar to those of /sup 258/Fm and /sup 259/Fm, but with a broad total kinetic energy (anti TKE) distribution which peaks at about 195 MeV, in contrast to those of /sup 258/Fm and /sup 259/Fm, for which the anti TKE is about 240 MeV. This kinetic energy deficit, approx. 40 MeV, has been postulated to be due to the emission of hydrogen-like particles by /sup 259/Md at the scission point in a large fraction of the fissions, leaving the residual fissioning nucleus with 100 protons. The residual nucleus would then be able to divide into two ultrastable tin-like fission fragments, but with less kinetic energy than that observed in the SF of /sup 258/Fm and /sup 259/Fm, because of binding-energy losses and a reduction in the Coulomb repulsion of the major fragments. To test this hypothesis, counter-telescope experiments aimed at detecting and identifying these light particles were performed. In 439 SF events 3 + 3 protons of the appropriate energy were observed, too few to account for the kinetic energy deficit in the fission of /sup 259/Md. There seems to be no explanation for this problem within the framework of current fission theory. These results are discussed along with preliminary measurements of light-particle emission in the SF of /sup 256/Fm. 5 figures.

  18. Dynamical interpretation of average fission-fragment kinetic energy systematics and nuclear scission

    SciTech Connect (OSTI)

    Nadtochy, P.N. [GSI, Plankstrasse 1, D-64291 Darmstadt (Germany); Omsk State University, Department of Theoretical Physics, Mira Prospect 55-A, RU-644077 Omsk (Russian Federation); Adeev, G.D. [Omsk State University, Department of Theoretical Physics, Mira Prospect 55-A, RU-644077 Omsk (Russian Federation)

    2005-11-01T23:59:59.000Z

    A dynamical interpretation of the well-known systematics for average total kinetic energy of fission fragments over a wide range of the Coulomb parameter (600 on the Coulomb parameter. The results of dynamical calculations of within three-dimensional Langevin dynamics show that the mean distance between the centers of mass of nascent fragments at the scission configuration increases linearly with the parameter Z{sup 2}/A{sup 1/3}. This distance changes approximately from 2.35R{sub 0} for {sup 119}Xe to 2.6R{sub 0} for {sup 256}Fm. In spite of this increase in mean distance between future fragments at scission, the linear dependence of on the parameter Z{sup 2}/A{sup 1/3} remains approximately valid over a wide range of the Coulomb parameter Z{sup 2}/A{sup 1/3}.

  19. Laser sustained discharge nozzle apparatus for the production of an intense beam of high kinetic energy atomic species

    DOE Patents [OSTI]

    Cross, J.B.; Cremers, D.A.

    1986-01-10T23:59:59.000Z

    Laser sustained discharge apparatus for the production of intense beams of high kinetic energy atomic species is described. A portion of the plasma resulting from a laser sustained continuous optical discharge which generates energetic atomic species from a gaseous source thereof is expanded through a nozzle into a region of low pressure. The expanded plasma contains a significant concentration of the high kinetic energy atomic species which may be used to investigate the interaction of surfaces therewith. In particular, O-atoms having velocities in excess of 3.5 km/s can be generated for the purpose of studying their interaction with materials in order to develop protective materials for spacecraft which are exposed to such energetic O-atoms during operation in low earth orbit.

  20. Pion yield studies for proton drive beams of 2-8 GeV kinetic energy for stopped

    E-Print Network [OSTI]

    McDonald, Kirk

    data. Pion kinetic energy of 40 MeV corresponds to momentum of 113 MeV/c #12;MARS - dash-dotted lines #12;MARS - dash-dotted lines #12;#12;#12;HARP collaboration conclusion #12;#12;HARP vs HARP-CDP #12 angle pion production · Negative pion yield was studied at 10 GeV/c using JINR 2-m propane bubble

  1. CX-002638: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    New York Center for Advanced Ferrite ProductionCX(s) Applied: B5.1Date: 06/09/2010Location(s): Ogdensburg, New YorkOffice(s): Energy Efficiency and Renewable Energy, National Energy Technology Laboratory

  2. Study of the low-lying states of Ge2 and Ge2 using negative ion zero electron kinetic energy spectroscopy

    E-Print Network [OSTI]

    Neumark, Daniel M.

    Study of the low-lying states of Ge2 and Ge2 using negative ion zero electron kinetic energy The low-lying states of Ge2 and Ge2 are probed using negative ion zero electron kinetic energy ZEKE spectroscopy. The ZEKE spectrum of Ge2 yields an electron affinity of 2.035 0.001 eV for Ge2, as well as term

  3. Application of a kinetic energy partitioning scheme for ab initio molecular dynamics to reactions associated with ionization in water tetramers

    SciTech Connect (OSTI)

    Furuhama, Ayako; Dupuis, Michel; Hirao, Kimihiko

    2008-05-29T23:59:59.000Z

    We give the details of a partitioning scheme of the kinetic energy in molecular dynamics based on instantaneous internal coordinates and atomic velocities. The scheme applied to the analysis of the short-time dynamics after ionization in ‘cyclic’ and ‘branched’ water tetramers illustrates that the tetrameric systems can be usefully partitioned into two subsystems, a ‘reactive trimer’ and a ‘solvent’ molecule. The partitioned kinetic energy exhibits a broad peak that can be assigned to the interaction between the two sub-systems, and a sharper peak arising from the proton transfer that occurs upon ionization. Comparison of the dynamics in tetramer clusters suggests that the stability of the hydroxyl radical formed upon ionization depends on the instantaneous configuration of the water molecules around the ionized water. These findings are consistent with those reported earlier for the (H2O)17 cluster. This work was supported in part by the Division of Chemical Sciences, Office of Basic Energy Sciences, of the U.S. Department of Energy (DOE). This research was performed in part using the Molecular Science Computing Facility in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) at the Pacific Northwest National Laboratory (PNNL). The EMSL is funded by DOE’s Office of Biological and Environmental Research. PNNL is operated by Battelle for DOE.

  4. Zero Kinetic Energy Photofragment Spectroscopy: The Threshold Dissociation of NO2 J. A. Mueller, S. A. Rogers, and Paul L. Houston*

    E-Print Network [OSTI]

    Houston, Paul L.

    at the dissociation threshold of, while for higher energies, a new peak occurs as the energy threshold is reachedZero Kinetic Energy Photofragment Spectroscopy: The Threshold Dissociation of NO2 J. A. Mueller, S. A. Rogers, and Paul L. Houston* Department of Chemistry, Cornell UniVersity, Ithaca, New York 14853

  5. 11490 J. Phys. Chem. 1994, 98, 11490-11498 Kinetic and Electronic Energy Dependence of the Reactions of Sc+ and Ti+ with D20

    E-Print Network [OSTI]

    Clemmer, David E.

    of ground state M+ in both systems. In the titanium system, the effect of electronic energy on product11490 J. Phys. Chem. 1994, 98, 11490- 11498 Kinetic and Electronic Energy Dependence@ The reactions of Sc+ and Ti+ with D20 are studied as a function of translational energy in a guided ion beam

  6. Energy transfer kinetics in oxy-fluoride glass and glass-ceramics doped with rare-earth ions

    SciTech Connect (OSTI)

    Sontakke, Atul D.; Annapurna, K. [Glass Science and Technology Section, CSIR-Central Glass and Ceramic Research Institute, 196, Raja S. C. Mullick Road, Kolkata - 700 032 (India)

    2012-07-01T23:59:59.000Z

    An investigation of donor-acceptor energy transfer kinetics in dual rare earths doped precursor oxy-fluoride glass and its glass-ceramics containing NaYF{sub 4} nano-crystals is reported here, using three different donor-acceptor ion combinations such as Nd-Yb, Yb-Dy, and Nd-Dy. The precipitation of NaYF{sub 4} nano-crystals in host glass matrix under controlled post heat treatment of precursor oxy-fluoride glasses has been confirmed from XRD, FESEM, and transmission electron microscope (TEM) analysis. Further, the incorporation of dopant ions inside fluoride nano-crystals has been established through optical absorption and TEM-EDX analysis. The noticed decreasing trend in donor to acceptor energy transfer efficiency from precursor glass to glass-ceramics in all three combinations have been explained based on the structural rearrangements that occurred during the heat treatment process. The reduced coupling phonon energy for the dopant ions due to fluoride environment and its influence on the overall phonon assisted contribution in energy transfer process has been illustrated. Additionally, realization of a correlated distribution of dopant ions causing clustering inside nano-crystals has also been reported.

  7. NiTi shape-memory transformations: minimum-energy pathways between austenite, martensites, and kinetically-limited intermediate states

    E-Print Network [OSTI]

    Zarkevich, N A

    2014-01-01T23:59:59.000Z

    NiTi is the most used shape-memory alloy, nonetheless, a lack of understanding remains regarding the associated structures and transitions, including their barriers. Using a generalized solid-state nudge elastic band (GSSNEB) method implemented via density-functional theory, we detail the structural transformations in NiTi relevant to shape memory: those between body-centered orthorhombic (BCO) groundstate and a newly identified stable austenite ("glassy" B2-like) structure, including energy barriers (hysteresis) and intermediate structures (observed as a kinetically limited R-phase), and between martensite variants (BCO orientations). All results are in good agreement with available experiment. We contrast the austenite results to those from the often-assumed, but unstable B2. These high- and low-temperature structures and structural transformations provide much needed atomic-scale detail for transitions responsible for NiTi shape-memory effects.

  8. Chemical Kinetic Research on HCCI & Diesel Fuels | Department of Energy

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels DataDepartment of Energy Your Density Isn't Your Destiny: Theof EnergyAdministration-DesertofSuccessTroy A. SemelsbergerEnergy 12

  9. Chemical Kinetic Research on HCCI & Diesel Fuels | Department of Energy

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels DataDepartment of Energy Your Density Isn't Your Destiny: Theof EnergyAdministration-DesertofSuccessTroy A. SemelsbergerEnergy 121

  10. Appearance Potentials and Kinetic Energies of Ions from N2, CO, and NO

    E-Print Network [OSTI]

    Hierl, Peter M.; Franklin, J. L.

    1967-01-01T23:59:59.000Z

    A recently developed method has permitted the measurement of excess translational energy of ions formed in a time?of?flight mass spectrometer. The method, in conjunction with the RPD technique for determining appearance potentials, has been applied...

  11. Chemical Kinetic Research on HCCI & Diesel Fuels | Department of Energy

    Energy Savers [EERE]

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are being directed offOCHCO OverviewAttachments4 Chairs Meeting - April 2014

  12. Chemical Kinetics Research on HCCI and Diesel Fuels | Department of Energy

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels DataDepartment of Energy Your Density Isn't Your Destiny: Theof EnergyAdministration-DesertofSuccessTroy A.

  13. Chemical Kinetic Research on HCCI & Diesel Fuels | Department of Energy

    Office of Environmental Management (EM)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742 33 1112011AT&T, Inc.'sEnergyTexas1. Feedstock & ProductionChapter 6 LosChelsea2010 DOE

  14. Chemical Kinetic Research on HCCI & Diesel Fuels | Department of Energy

    Office of Environmental Management (EM)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742 33 1112011AT&T, Inc.'sEnergyTexas1. Feedstock & ProductionChapter 6 LosChelsea2010

  15. Measurement of a Complete Set of Nuclides, Cross Sections and Kinetic Energies in Spallation of 238

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    of a peaceful future. In the scenario improved systems of fast reactors, of high temperature gas-cooled reactors ­ 50 mA, proton beam at 1 GeV is coupled with a reactor core. The latter is run either with fast more energy. Further burning of coal, oil and gas produces still more CO2 producing deterioration

  16. TheChandraViewofRadiativeandKineticEnergyDissipationin Beyond Unification:An X-ray

    E-Print Network [OSTI]

    Evans, Dan

    optically thin corona · X-rays from Comptonization of disk photons in hot corona · Power law X-ray spectrum complex in general consists of a narrow line core, often accompanied by broadened emission · If we can Energy Transmission Gratings Spectrometer well suited · Narrow core always attributed

  17. Quantitative predictions of tokamak energy confinement from first-principles simulations with kinetic effects*

    E-Print Network [OSTI]

    Hammett, Greg

    Quantitative predictions of tokamak energy confinement from first-principles simulations Jersey 08543 (Received 14 November 1994; accepted 2 March 1995) A first-principles model of anomalous data from the Tokamak Fusion Test Reactor (TFTR) [Fusion Technol. 21, 1324 (1992)]. This model is based

  18. Quantitative Predictions of Tokamak Energy Confinement from FirstPrinciples Simulations with Kinetic Effects

    E-Print Network [OSTI]

    Hammett, Greg

    Quantitative Predictions of Tokamak Energy Confinement from First­Principles Simulations 451, Princeton, NJ, 08543 Abstract A first­principles model of anomalous thermal transport based Fusion Test Reactor (TFTR) [Fusion Technol. 21, 1324 (1992)]. This model is based on nonlinear gyrofluid

  19. Ion kinetic energy conservation and magnetic field strength constancy in multi-fluid solar wind Alfv\\'enic turbulence

    E-Print Network [OSTI]

    Matteini, L; Pantellini, F; Velli, M; Schwartz, S J

    2015-01-01T23:59:59.000Z

    We investigate properties of the plasma fluid motion in the large amplitude low frequency fluctuations of highly Alfv\\'enic fast solar wind. We show that protons locally conserve total kinetic energy when observed from an effective frame of reference comoving with the fluctuations. For typical properties of the fast wind, this frame can be reasonably identified by alpha particles, which, owing to their drift with respect to protons at about the Alfv\\'en speed along the magnetic field, do not partake in the fluid low frequency fluctuations. Using their velocity to transform proton velocity into the frame of Alfv\\'enic turbulence, we demonstrate that the resulting plasma motion is characterized by a constant absolute value of the velocity, zero electric fields, and aligned velocity and magnetic field vectors as expected for unidirectional Alfv\\'enic fluctuations in equilibrium. We propose that this constraint, via the correlation between velocity and magnetic field in Alfv\\'enic turbulence, is at the origin of ...

  20. Measurement of the complete nuclide production and kinetic energies of the system 136Xe + hydrogen at 1 GeV per nucleon

    E-Print Network [OSTI]

    P. Napolitani; K. -H. Schmidt; L. Tassan-Got; P. Armbruster; T. Enqvist; A. Heinz; V. Henzl; D. Henzlova; A. Kelic; R. Pleskac; M. V. Ricciardi; C. Schmitt; O. Yordanov; L. Audouin; M. Bernas; A. Lafriaskh; F. Rejmund; C. Stephan; J. Benlliure; E. Casarejos; M. Fernandez Ordonez; J. Pereira; A. Boudard; B. Fernandez; S. Leray; C. Villagrasa; C. Volant

    2007-06-05T23:59:59.000Z

    We present an extensive overview of production cross sections and kinetic energies for the complete set of nuclides formed in the spallation of 136Xe by protons at the incident energy of 1 GeV per nucleon. The measurement was performed in inverse kinematics at the FRagment Separator (GSI, Darmstadt). Slightly below the Businaro-Gallone point, 136Xe is the stable nuclide with the largest neutron excess. The kinematic data and cross sections collected in this work for the full nuclide production are a general benchmark for modelling the spallation process in a neutron-rich nuclear system, where fission is characterised by predominantly mass-asymmetric splits.

  1. Kinetics of Silica Polymerization

    E-Print Network [OSTI]

    Weres, Oleh

    2011-01-01T23:59:59.000Z

    see S . ) It is the kinetic expression of the increase Therate is in part the kinetic expression of. the reducedrates calculated using kinetic expressions given in Chapter

  2. Erbium hydride decomposition kinetics.

    SciTech Connect (OSTI)

    Ferrizz, Robert Matthew

    2006-11-01T23:59:59.000Z

    Thermal desorption spectroscopy (TDS) is used to study the decomposition kinetics of erbium hydride thin films. The TDS results presented in this report are analyzed quantitatively using Redhead's method to yield kinetic parameters (E{sub A} {approx} 54.2 kcal/mol), which are then utilized to predict hydrogen outgassing in vacuum for a variety of thermal treatments. Interestingly, it was found that the activation energy for desorption can vary by more than 7 kcal/mol (0.30 eV) for seemingly similar samples. In addition, small amounts of less-stable hydrogen were observed for all erbium dihydride films. A detailed explanation of several approaches for analyzing thermal desorption spectra to obtain kinetic information is included as an appendix.

  3. Cosmological Kinetic Mixing

    E-Print Network [OSTI]

    Ashok Das; Jorge Gamboa; Miguel Pino

    2015-04-15T23:59:59.000Z

    In this paper we generalize the kinetic mixing idea to time reparametrization invariant theories, namely, relativistic point particles and cosmology in order to obtain new insights for dark matter and energy. In the first example, two relativistic particles interact through an appropriately chosen coupling term. It is shown that the system can be diagonalized by means of a non-local field redefinition, and, as a result of this procedure, the mass of one the particles gets rescaled. In the second case, inspired by the previous example, two cosmological models (each with its own scale factor) are made to interact in a similar fashion. The equations of motion are solved numerically in different scenarios (dust, radiation or a cosmological constant coupled to each sector of the system). When a cosmological constant term is present, kinetic mixing rescales it to a lower value which may be more amenable to observations.

  4. Kinetic advantage of controlled intermediate nuclear fusion

    SciTech Connect (OSTI)

    Guo Xiaoming [Physics and Computer Science Department, Wilfrid Laurier University, Waterloo, Ontario, N2L 3C5 (Canada)

    2012-09-26T23:59:59.000Z

    The dominated process of controlled fusion is to let nuclei gain enough kinetic energy to overcome Coulomb barrier. As a result, a fusion scheme can consider two factors in its design: to increase kinetic energy of nuclei and to alter the Coulomb barrier. Cold Fusion and Hot fusion are all one-factor schemes while Intermediate Fusion is a twofactors scheme. This made CINF kinetically superior. Cold Fusion reduces deuteron-deuteron distance, addressing Coulomb barrier, and Hot Fusion heat up plasma into extreme high temperature, addressing kinetic energy. Without enough kinetic energy made Cold Fusion skeptical. Extreme high temperature made Hot Fusion very difficult to engineer. Because CIFN addresses both factors, CIFN is a more promising technique to be industrialized.

  5. Paper # XXX Topic: Reaction Kinetics Eastern State Fall Technical Meeting

    E-Print Network [OSTI]

    Knyazev, Vadim D.

    Paper # XXX Topic: Reaction Kinetics 1 Eastern State Fall Technical Meeting Chemical & Physical ­ 1017 s-1 #12;Paper # XXX Topic: Reaction Kinetics 2 and activation energy values close to the C-C bond

  6. Experimental search for solar hidden photons in the eV energy range using kinetic mixing with photons

    SciTech Connect (OSTI)

    Mizumoto, T. [Department of Physics, Graduate School of Science, Kyoto University, Kitashirakawa-Oiwakecho, Sakyo-ku, Kyoto 606-8502 (Japan); Ohta, R.; Horie, T.; Suzuki, J.; Minowa, M. [Department of Physics, School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan); Inoue, Y., E-mail: mizumoto@cr.scphys.kyoto-u.ac.jp, E-mail: comic@icepp.s.u-tokyo.ac.jp, E-mail: horiemon@icepp.s.u-tokyo.ac.jp, E-mail: jsuzuki@icepp.s.u-tokyo.ac.jp, E-mail: berota@icepp.s.u-tokyo.ac.jp, E-mail: minowa@phys.s.u-tokyo.ac.jp [International Center for Elementary Particle Physics, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan)

    2013-07-01T23:59:59.000Z

    We have searched for solar hidden photons in the eV energy range using a dedicated hidden photon detector. The detector consisted of a parabolic mirror with a diameter of 500 mm and a focal length of 1007 mm installed in a vacuum chamber, and a photomultiplier tube at its focal point. The detector was attached to the Tokyo axion helioscope, Sumico which has a mechanism to track the sun. From the result of the measurement, we found no evidence for the existence of hidden photons and set a limit on the photon-hidden photon mixing parameter ? depending on the hidden photon mass m{sub ?'}.

  7. agonist dissociation kinetics: Topics by E-print Network

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

    Websites Summary: supposes that the transition states for dissociation coincide with the free energy maximum along rionKinetic Pathways of Ion Pair Dissociation in Water Phillip...

  8. Kinetic decoupling of WIMPs: analytic expressions

    E-Print Network [OSTI]

    Visinelli, Luca

    2015-01-01T23:59:59.000Z

    We present a general expression for the values of the average kinetic energy and of the temperature of kinetic decoupling of a WIMP, valid for any cosmological model. We show an example of the usage of our solution when the Hubble rate has a power-law dependence on temperature, and we show results for the specific cases of kination cosmology and low- temperature reheating cosmology.

  9. ash kinetics mechanism: Topics by E-print Network

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

    close. Such an event we call a collision, and in a collision there is exchange of energy proportional to the average kinetic energy of a molecule. It is very satisfactory that...

  10. Kinetic vs. energetic discrimination in biological copying

    E-Print Network [OSTI]

    Pablo Sartori; Simone Pigolotti

    2013-04-12T23:59:59.000Z

    We study stochastic copying schemes in which discrimination between a right and a wrong match is achieved via different kinetic barriers or different binding energies of the two matches. We demonstrate that, in single-step reactions, the two discrimination mechanisms are strictly alternative and can not be mixed to further reduce the error fraction. Close to the lowest error limit, kinetic discrimination results in a diverging copying velocity and dissipation per copied bit. On the opposite, energetic discrimination reaches its lowest error limit in an adiabatic regime where dissipation and velocity vanish. By analyzing experimentally measured kinetic rates of two DNA polymerases, T7 and Pol{\\gamma}, we argue that one of them operates in the kinetic and the other in the energetic regime. Finally, we show how the two mechanisms can be combined in copying schemes implementing error correction through a proofreading pathway

  11. Kinetic-energy-angle differential distribution of photofragments in multiphoton above-threshold dissociation of D{sub 2}{sup +} by linearly polarized 400-nm intense laser fields: Effects of highly excited electronic states

    SciTech Connect (OSTI)

    Khan, Basir Ahamed; Saha, Samir; Bhattacharyya, S. S. [Atomic and Molecular Physics Section, Department of Materials Science, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700 032 (India)

    2006-02-15T23:59:59.000Z

    We have performed a detailed calculation of the double-differential angular-kinetic-energy distribution of photofragments in above threshold dissociation (ATD) of D{sub 2}{sup +} from initial vibrational-rotational levels v{sub i}=4,5 and J{sub i}=0,1 in an intense linearly polarized laser field of wavelength 400 nm and intensity 3x10{sup 13} W/cm{sup 2}. The calculation used a time-independent close-coupling (CC) formalism with eight (ten) electronic states included in the basis-set expansion of the molecular wave function. The molecular electronic states included, apart from the two lowest 1s{sigma}{sub g} and 2p{sigma}{sub u} states, were 2p{pi}{sub u}{sup {+-}}, 2s{sigma}{sub g}, 3p{sigma}{sub u}, 3d{sigma}{sub g}, 3d{pi}{sub g}{sup {+-}}, and 4f{sigma}{sub u}. All the higher electronic states dissociate to the atomic state D(2l). A sufficient number of photon absorption channels, n=0-7, and molecular rotational quantum numbers J=0-11 were taken into account to ensure the convergence of the multiphoton ATD probability. Altogether 198 coupled channels had to be considered in the calculation. The calculations reveal signatures of significant ejection of the photodissociation fragments away from the laser polarization direction due to the inclusion of the higher excited electronic states. The ratio of the photofragments perpendicular to and along the polarization axis shows good quantitative agreement with the experimental result. The angular distributions show considerable structures depending on the relative kinetic energies of the photofragments, and the fragments with different kinetic energies show peaks at different dissociation angles.

  12. Theory of Chemical Kinetics and Charge Transfer based on Nonequilibrium Thermodynamics

    E-Print Network [OSTI]

    Bazant, Martin Z.

    Advances in the fields of catalysis and electrochemical energy conversion often involve nanoparticles, which can have kinetics surprisingly different from the bulk material. Classical theories of chemical kinetics assume ...

  13. Kinetic Modeling of Non-thermal Escape: Planets and Exoplanets

    E-Print Network [OSTI]

    Johnson, Robert E.

    Kinetic Modeling of Non-thermal Escape: Planets and Exoplanets Valery I. Shematovich Institute of Astronomy, Russian Academy of Sciences Modeling Atmospheric Escape Workshop - Spring 2012 University are populated by the atoms and molecules with both thermal and suprathermal kinetic energies (Johnson et al

  14. Model Independent Bounds on Kinetic Mixing

    SciTech Connect (OSTI)

    Hook, Anson; Izaguirre, Eder; Wacker, Jay G.; /SLAC

    2011-08-22T23:59:59.000Z

    New Abelian vector bosons can kinetically mix with the hypercharge gauge boson of the Standard Model. This letter computes the model independent limits on vector bosons with masses from 1 GeV to 1 TeV. The limits arise from the numerous e{sup +}e{sup -} experiments that have been performed in this energy range and bound the kinetic mixing by {epsilon} {approx}< 0.03 for most of the mass range studied, regardless of any additional interactions that the new vector boson may have.

  15. Energy 101: Hydroelectric Power

    K-12 Energy Lesson Plans and Activities Web site (EERE)

    Learn how hydropower captures the kinetic energy of flowing water and turns it into electricity for our homes and businesses.

  16. Energy 101: Hydropower

    ScienceCinema (OSTI)

    None

    2013-04-24T23:59:59.000Z

    Learn how hydropower captures the kinetic energy of flowing water and turns it into electricity for our homes and businesses.

  17. Energy 101: Hydropower

    SciTech Connect (OSTI)

    None

    2013-04-01T23:59:59.000Z

    Learn how hydropower captures the kinetic energy of flowing water and turns it into electricity for our homes and businesses.

  18. Fully kinetic simulations of megajoule-scale dense plasma focus

    SciTech Connect (OSTI)

    Schmidt, A.; Link, A.; Tang, V.; Halvorson, C.; May, M. [Lawrence Livermore National Laboratory, Livermore California 94550 (United States); Welch, D. [Voss Scientific, LLC, Albuquerque, New Mexico 87108 (United States); Meehan, B. T.; Hagen, E. C. [National Security Technologies, LLC, Las Vegas, Nevada 89030 (United States)

    2014-10-15T23:59:59.000Z

    Dense plasma focus (DPF) Z-pinch devices are sources of copious high energy electrons and ions, x-rays, and neutrons. Megajoule-scale DPFs can generate 10{sup 12} neutrons per pulse in deuterium gas through a combination of thermonuclear and beam-target fusion. However, the details of the neutron production are not fully understood and past optimization efforts of these devices have been largely empirical. Previously, we reported on the first fully kinetic simulations of a kilojoule-scale DPF and demonstrated that both kinetic ions and kinetic electrons are needed to reproduce experimentally observed features, such as charged-particle beam formation and anomalous resistivity. Here, we present the first fully kinetic simulation of a MegaJoule DPF, with predicted ion and neutron spectra, neutron anisotropy, neutron spot size, and time history of neutron production. The total yield predicted by the simulation is in agreement with measured values, validating the kinetic model in a second energy regime.

  19. Kinetic theory viscosity

    E-Print Network [OSTI]

    C. J. Clarke; J. E. Pringle

    2004-03-17T23:59:59.000Z

    We show how the viscous evolution of Keplerian accretion discs can be understood in terms of simple kinetic theory. Although standard physics texts give a simple derivation of momentum transfer in a linear shear flow using kinetic theory, many authors, as detailed by Hayashi & Matsuda 2001, have had difficulties applying the same considerations to a circular shear flow. We show here how this may be done, and note that the essential ingredients are to take proper account of, first, isotropy locally in the frame of the fluid and, second, the geometry of the mean flow.

  20. Physics 321 Energy Conservation Potential Energy in

    E-Print Network [OSTI]

    Hart, Gus

    is independent of path. If we know we also know . 1 2 y x Potential Energy If T is dependent only on the endPhysics 321 Hour 7 Energy Conservation ­ Potential Energy in One Dimension Work-Energy Theorem = 1 work increases kinetic energy, negative work decreases kinetic energy Gravity Depending on initial

  1. RIS-M-2216 CHEMICAL KINETICS IN THE GAS PHASE

    E-Print Network [OSTI]

    KINETICS, EXPERIMENTAL DATA, GASES, HYDROGEN SULFIDES, PULSED IRRADIATION, RADIATION CHEMISTRY, RADIOLYSIS is subjected to high energy radiation (e.g. a- particles, Y-radiation or fast electrons), the primary products

  2. Integrating Acclimated Kinetic Envelopes into Sustainable Building Design 

    E-Print Network [OSTI]

    Wang, Jialiang

    2014-05-28T23:59:59.000Z

    affects the energy usage of a building. In an effort to simultaneously consider and satisfy all of the various indoor comfort requirements, changing climatic conditions can generate conflicting conditions. Acclimated Kinetic Envelope (AKE) is a notion...

  3. Inertial range turbulence in kinetic plasmas

    E-Print Network [OSTI]

    G. G. Howes

    2007-11-27T23:59:59.000Z

    The transfer of turbulent energy through an inertial range from the driving scale to dissipative scales in a kinetic plasma followed by the conversion of this energy into heat is a fundamental plasma physics process. A theoretical foundation for the study of this process is constructed, but the details of the kinetic cascade are not well understood. Several important properties are identified: (a) the conservation of a generalized energy by the cascade; (b) the need for collisions to increase entropy and realize irreversible plasma heating; and (c) the key role played by the entropy cascade--a dual cascade of energy to small scales in both physical and velocity space--to convert ultimately the turbulent energy into heat. A strategy for nonlinear numerical simulations of kinetic turbulence is outlined. Initial numerical results are consistent with the operation of the entropy cascade. Inertial range turbulence arises in a broad range of space and astrophysical plasmas and may play an important role in the thermalization of fusion energy in burning plasmas.

  4. Kinetic equilibrium and relativistic thermodynamics

    E-Print Network [OSTI]

    P. Ván

    2011-02-01T23:59:59.000Z

    Relativistic thermodynamics is treated from the point of view of kinetic theory. It is shown that the generalized J\\"uttner distribution suggested in [1] is compatible with kinetic equilibrium. The requirement of compatibility of kinetic and thermodynamic equilibrium reveals several generalizations of the Gibbs relation where the velocity field is an independent thermodynamic variable.

  5. Inertial range turbulence in kinetic plasmas

    E-Print Network [OSTI]

    Howes, G G

    2007-01-01T23:59:59.000Z

    The transfer of turbulent energy through an inertial range from the driving scale to dissipative scales in a kinetic plasma followed by the conversion of this energy into heat is a fundamental plasma physics process. A theoretical foundation for the study of this process is constructed, but the details of the kinetic cascade are not well understood. Several important properties are identified: (a) the conservation of a generalized energy by the cascade; (b) the need for collisions to increase entropy and realize irreversible plasma heating; and (c) the key role played by the entropy cascade--a dual cascade of energy to small scales in both physical and velocity space--to convert ultimately the turbulent energy into heat. A strategy for nonlinear numerical simulations of kinetic turbulence is outlined. Initial numerical results are consistent with the operation of the entropy cascade. Inertial range turbulence arises in a broad range of space and astrophysical plasmas and may play an important role in the ther...

  6. Improving alternative fuel utilization: detailed kinetic combustion...

    Energy Savers [EERE]

    Improving alternative fuel utilization: detailed kinetic combustion modeling & experimental testing Improving alternative fuel utilization: detailed kinetic combustion modeling &...

  7. Kinetics of Oscillating Neutrinos

    E-Print Network [OSTI]

    P. Strack

    2005-05-12T23:59:59.000Z

    In the context of core-collapse supernovae, Strack and Burrows (Phys. Rev. D 71, 093004 (2005)) have recently developed an extension of the classical Boltzmann kinetic formalism that retains all the standard neutrino oscillation phenomenology, including resonant flavor conversion (the MSW effect), neutrino self-interactions, and the interplay between neutrino-matter coupling and flavor oscillations. In this thesis, I extend the Strack & Burrows formalism to incorporate general relativity, spin degrees of freedom, and a possible neutrino magnetic-moment/magnetic-field interaction.

  8. Chemical kinetics modeling

    SciTech Connect (OSTI)

    Westbrook, C.K.; Pitz, W.J. [Lawrence Livermore National Laboratory, CA (United States)

    1993-12-01T23:59:59.000Z

    This project emphasizes numerical modeling of chemical kinetics of combustion, including applications in both practical combustion systems and in controlled laboratory experiments. Elementary reaction rate parameters are combined into mechanisms which then describe the overall reaction of the fuels being studied. Detailed sensitivity analyses are used to identify those reaction rates and product species distributions to which the results are most sensitive and therefore warrant the greatest attention from other experimental and theoretical research programs. Experimental data from a variety of environments are combined together to validate the reaction mechanisms, including results from laminar flames, shock tubes, flow systems, detonations, and even internal combustion engines.

  9. OBJECT KINETIC MONTE CARLO SIMULATIONS OF MICROSTRUCTURE EVOLUTION

    SciTech Connect (OSTI)

    Nandipati, Giridhar; Setyawan, Wahyu; Heinisch, Howard L.; Roche, Kenneth J.; Kurtz, Richard J.; Wirth, Brian D.

    2013-09-30T23:59:59.000Z

    The objective is to report the development of the flexible object kinetic Monte Carlo (OKMC) simulation code KSOME (kinetic simulation of microstructure evolution) which can be used to simulate microstructure evolution of complex systems under irradiation. In this report we briefly describe the capabilities of KSOME and present preliminary results for short term annealing of single cascades in tungsten at various primary-knock-on atom (PKA) energies and temperatures.

  10. Kinetic regulation of coated vesicle secretion

    E-Print Network [OSTI]

    Lionel Foret; Pierre Sens

    2008-07-28T23:59:59.000Z

    The secretion of vesicles for intracellular transport often rely on the aggregation of specialized membrane-bound proteins into a coat able to curve cell membranes. The nucleation and growth of a protein coat is a kinetic process that competes with the energy-consuming turnover of coat components between the membrane and the cytosol. We propose a generic kinetic description of coat assembly and the formation of coated vesicles, and discuss its implication to the dynamics of COP vesicles that traffic within the Golgi and with the Endoplasmic Reticulum. We show that stationary coats of fixed area emerge from the competition between coat growth and the recycling of coat components, in a fashion resembling the treadmilling of cytoskeletal filaments. We further show that the turnover of coat components allows for a highly sensitive switching mechanism between a quiescent and a vesicle producing membrane, upon a slowing down of the exchange kinetics. We claim that the existence of this switching behaviour, also triggered by factors such as the presence of cargo and variation of the membrane mechanical tension, allows for efficient regulation of vesicle secretion. We propose a model, supported by different experimental observations, in which vesiculation of secretory membranes is impaired by the energy consuming desorption of coat proteins, until the presence of cargo or other factors triggers a dynamical switch into a vesicle producing state.

  11. Kinetic theory and the FloryHuggins approximation P. L. Taylor, Yi-Kuo Yu, and X. Y. Wang

    E-Print Network [OSTI]

    Taylor, Philip L.

    to the Flory­ Huggins expression for the free energy of mixing of a polymer solution. The kinetic model that weKinetic theory and the Flory­Huggins approximation P. L. Taylor, Yi-Kuo Yu, and X. Y. Wang; accepted 3 April 1996 A kinetic approach is used to examine the structure of the approximations that lead

  12. Ducted kinetic Alfven waves in plasma with steep density gradients

    SciTech Connect (OSTI)

    Houshmandyar, Saeid [Solar Observatory Department, Prairie View A and M University, Prairie View, Texas 77446 (United States); Department of Physics, West Virginia University, Morgantown, West Virginia 26506-6315 (United States); Scime, Earl E. [Department of Physics, West Virginia University, Morgantown, West Virginia 26506-6315 (United States)

    2011-11-15T23:59:59.000Z

    Given their high plasma density (n {approx} 10{sup 13} cm{sup -3}), it is theoretically possible to excite Alfven waves in a conventional, moderate length (L {approx} 2 m) helicon plasma source. However, helicon plasmas are decidedly inhomogeneous, having a steep radial density gradient, and typically have a significant background neutral pressure. The inhomogeneity introduces regions of kinetic and inertial Alfven wave propagation. Ion-neutral and electron-neutral collisions alter the Alfven wave dispersion characteristics. Here, we present the measurements of propagating kinetic Alfven waves in helium helicon plasma. The measured wave dispersion is well fit with a kinetic model that includes the effects of ion-neutral damping and that assumes the high density plasma core defines the radial extent of the wave propagation region. The measured wave amplitude versus plasma radius is consistent with the pile up of wave magnetic energy at the boundary between the kinetic and inertial regime regions.

  13. Multidimensional simulation and chemical kinetics development...

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

    Developing chemical kinetic mechanisms and applying them to simulating engine combustion processes. deer09aceves.pdf More Documents & Publications Chemical Kinetic Research on...

  14. Direct Observation of Aggregative Nanoparticle Growth: Kinetic...

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

    Aggregative Nanoparticle Growth: Kinetic Modeling of the Size Distribution and Growth Rate. Direct Observation of Aggregative Nanoparticle Growth: Kinetic Modeling of the Size...

  15. Temperature Independent Physisorption Kinetics and Adsorbate...

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

    Temperature Independent Physisorption Kinetics and Adsorbate Layer Compression for Ar Adsorbed on Pt (111). Temperature Independent Physisorption Kinetics and Adsorbate Layer...

  16. thermodynamics kinetics | netl.doe.gov

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

    its kinetic behavior is more complex. Very little reliable kinetic information on coal gasification reactions exists, partly because it is highly depended on the process...

  17. (Revised May 22, 2012) Rotational Dynamics (Energy)

    E-Print Network [OSTI]

    Collins, Gary S.

    energy (the sum of kinetic and potential energies) to derive an expression for the moment of inertia that the expression for kinetic energy takes on this simple form. Experiment Set Up The apparatus consists of a Rotary. The rotating object has kinetic energy but we cannot write it in the familiar form ½mv2 because the velocities

  18. Kinetics and morphology of erbium silicide formation

    SciTech Connect (OSTI)

    Knapp, J.A.; Picraux, S.T.; Wu, C.S.; Lau, S.S.

    1985-11-15T23:59:59.000Z

    The growth kinetics and surface morphology of erbium silicide formation from Er layers on Si(100) substrates are examined using both fast e-beam annealing and furnace annealing. Very smooth erbium silicide layers have been grown using a line-source e beam to heat and react the Er overlayers with the substrate. This contrasts to the severe pitting observed when Er layers are reacted with Si in conventional furnace annealing. The pitting phenomenon can be explained by a thin contaminant layer at the interface between Er and Si. Our results suggest the contamination barrier is not due to oxygen, as usually assumed, but may be related to the presence of carbon. Rapid e-beam heating to reaction temperatures of approx.1200 K permits dispersion of the barrier layer before substantial silicide growth can occur, allowing smooth silicide growth. Heating to shorter times to just disperse the interface barrier allows uniform layer growth by subsequent furnace annealing and has permitted measurement of the kinetics of erbium silicide formation on crystalline Si. The reaction obeys (time)/sup 1//sup ///sup 2/ kinetics but is shown to be not totally diffusion limited by the ability to sustain multiple interface growth from a single Si source. The growth rates are nearly an order of magnitude slower for the Er/Si(100) interface than for the Er/amorphous-Si, but with a similar activation energy near 1.75 eV in both cases.

  19. Education Toolbox Search | Department of Energy

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

    energy.goveerevideosenergy-101-wind-turbines-2014-update Video Energy 101: Hydroelectric Power Learn how hydropower captures the kinetic energy of flowing water and turns...

  20. Search results | Department of Energy

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

    results Search results Enter terms Search Showing 1 - 2 of 2 results. Video Energy 101: Hydroelectric Power Learn how hydropower captures the kinetic energy of flowing water and...

  1. Nonlinear effects in kinetic resolutions

    E-Print Network [OSTI]

    Johnson, Derrell W.

    1999-01-01T23:59:59.000Z

    KTRIC AMPLIFICATION IN THE JACOBSEN HYDROLYTIC KINET RESOLUTION OF RACEMIC EPOXIDES 20 Applicability of Homocompetitive Reaction Kinetics to the Jacobsen HKR Effect of Catalyst EE and Choice of Epoxide on Amplification in the Jacobsen HKR.... . . . . . . . . . . . . . . . . . Effect of Temperature on Amplification and Reaction Rate in the Jacobsen HKR . Effect of Low EE Catalyst Generation on Amplification in the Jacobsen HKR. . . . 21 21 25 26 27 30 31 TABLE OF CONTENTS (Continued) CHAPTER Page V AS...

  2. Kinetic models of opinion formation

    E-Print Network [OSTI]

    G. Toscani

    2006-05-17T23:59:59.000Z

    We introduce and discuss certain kinetic models of (continuous) opinion formation involving both exchange of opinion between individual agents and diffusion of information. We show conditions which ensure that the kinetic model reaches non trivial stationary states in case of lack of diffusion in correspondence of some opinion point. Analytical results are then obtained by considering a suitable asymptotic limit of the model yielding a Fokker-Planck equation for the distribution of opinion among individuals.

  3. Direct Kinetic Measurements of a Criegee Intermediate

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625govInstrumentstdmadapInactiveVisitingContract Management FermiDavidDiesel pricesDiesel28, 2007,DiracDirect Kinetic

  4. Direct Kinetic Measurements of a Criegee Intermediate

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville Power AdministrationField Campaign: PotentialFederal Financial InterventionsDirectDirect Kinetic

  5. Direct Kinetic Measurements of a Criegee Intermediate

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville Power AdministrationField Campaign: PotentialFederal FinancialDirect Kinetic Measurements of a

  6. Electron kinetics in a microdischarge in nitrogen at atmospheric pressure

    SciTech Connect (OSTI)

    Levko, Dmitry [LAPLACE (Laboratoire Plasma et Conversion d'Energie), Universite de Toulouse, UPS, INPT Toulouse, 118 route de Narbonne, F-31062 Toulouse cedex 9 (France)] [LAPLACE (Laboratoire Plasma et Conversion d'Energie), Universite de Toulouse, UPS, INPT Toulouse, 118 route de Narbonne, F-31062 Toulouse cedex 9 (France)

    2013-12-14T23:59:59.000Z

    Electron kinetics during a microdischarge in nitrogen at atmospheric pressure is studied using the one-dimensional Particle-in-Cell/Monte Carlo Collisions model. It is obtained that the electron energy distribution function can be divided into three parts, namely, the non-equilibrium low-energy part, the Maxwellian function at moderate energies, and the high-energy tail. Simulation results showed that the role of the high-energy tail of electron energy distribution increases, when the distance between electrodes increases.

  7. Crystallization kinetics of amorphous NiTi shape memory alloy thin films

    E-Print Network [OSTI]

    Crystallization kinetics of amorphous NiTi shape memory alloy thin films Xi Wang, Joost J. Vlassak rights reserved. Keywords: Shape memory alloy thin films; Crystallization kinetics; Activation energy; Grain size 1. Introduction Shape memory alloys (SMAs) are active materials that derive their unique

  8. Energy 101: Hydroelectric Power

    Office of Energy Efficiency and Renewable Energy (EERE)

    Learn how hydroelectric power, or hydropower, captures the kinetic energy of flowing water and turns it into electricity for our homes and businesses.

  9. A. La Rosa Lecture Notes ENERGY CONSERVATION

    E-Print Network [OSTI]

    La Rosa, Andres H.

    ________________________________________________________________________ ENERGY CONSERVATION The Fisrt Law of Thermodynamics and the Work/Kinetic-Energy Theorem/kinetic-energy theorem Fundamental Energy Conservation Law Inelastic collision (revisited) Case: Pure Thermodynamics the potential energy TRANSFER of ENERGY Heat-transfer Q Macroscopic external Work W ' done on a system ENERGY

  10. Active Polymers Confer Fast Reorganization Kinetics

    E-Print Network [OSTI]

    Douglas Swanson; Ned S. Wingreen

    2011-10-02T23:59:59.000Z

    Many cytoskeletal biopolymers are "active," consuming energy in large quantities. In this Letter, we identify a fundamental difference between active polymers and passive, equilibrium polymers: for equal mean lengths, active polymers can reorganize faster than equilibrium polymers. We show that equilibrium polymers are intrinsically limited to linear scaling between mean lifetime and mean length, MFPT ~ , by analogy to 1-d Potts models. By contrast, we present a simple active-polymer model that improves upon this scaling, such that MFPT ~ ^{1/2}. Since to be biologically useful, structural biopolymers must typically be many monomers long, yet respond dynamically to the needs of the cell, the difference in reorganization kinetics may help to justify active polymers' greater energy cost. PACS numbers: 87.10.Ed, 87.16.ad, 87.16.Ln

  11. Chemical kinetics and combustion modeling

    SciTech Connect (OSTI)

    Miller, J.A. [Sandia National Laboratories, Livermore, CA (United States)

    1993-12-01T23:59:59.000Z

    The goal of this program is to gain qualitative insight into how pollutants are formed in combustion systems and to develop quantitative mathematical models to predict their formation rates. The approach is an integrated one, combining low-pressure flame experiments, chemical kinetics modeling, theory, and kinetics experiments to gain as clear a picture as possible of the process in question. These efforts are focused on problems involved with the nitrogen chemistry of combustion systems and on the formation of soot and PAH in flames.

  12. Desorption Kinetics of Methanol, Ethanol, and Water from Graphene...

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

    Desorption Kinetics of Methanol, Ethanol, and Water from Graphene. Desorption Kinetics of Methanol, Ethanol, and Water from Graphene. Abstract: The desorption kinetics of methanol,...

  13. Widening the Axion Window via Kinetic and Stückelberg Mixings

    E-Print Network [OSTI]

    Gary Shiu; Wieland Staessens; Fang Ye

    2015-03-03T23:59:59.000Z

    We point out that kinetic and St\\"uckelberg mixings that are generically present in the low energy effective action of axions can significantly widen the window of axion decay constants. We show that an effective super-Planckian decay constant can be obtained even when the axion kinetic matrix has only sub-Planckian entries. Our minimal model involves only two axions, a St\\"uckelberg U(1) and a modest rank instanton generating non-Abelian group. Below the mass of the St\\"uckelberg U(1), there is only a single axion with a non-perturbatively generated potential. In contrast to previous approaches, the enhancement of the axion decay constant is not tied to the number of degrees of freedom introduced. We also discuss how kinetic mixings can lower the decay constant to the desired axion dark matter window. String theory embeddings of this scenario and their phenomenological features are briefly discussed.

  14. Kinetic Theory for Binary Granular Mixtures at Low-Density

    E-Print Network [OSTI]

    Vicente Garzo

    2007-04-10T23:59:59.000Z

    Many features of granular media can be modelled as a fluid of hard spheres with {\\em inelastic} collisions. Under rapid flow conditions, the macroscopic behavior of grains can be described through hydrodynamic equations. At low-density, a fundamental basis for the derivation of the hydrodynamic equations and explicit expressions for the transport coefficients appearing in them is provided by the Boltzmann kinetic theory conveniently modified to account for inelastic binary collisions. The goal of this chapter is to give an overview of the recent advances made for binary granular gases by using kinetic theory tools. Some of the results presented here cover aspects such as transport properties, energy nonequipartition, instabilities, segregation or mixing, non-Newtonian behavior, .... In addition, comparison of the analytical results with those obtained from Monte Carlo and molecular dynamics simulations is also carried out, showing the reliability of kinetic theory to describe granular flows even for strong dissipation.

  15. Peculiarities in the energy transfer by waves on strained strings

    E-Print Network [OSTI]

    Butikov, Eugene

    potential and kinetic energies. All the texts and papers agree on the expression for the kinetic energy expressions for the density of potential energy encountered in the literature are clarified. The common statement regarding the relationship between the densities of kinetic and potential energies in a transverse

  16. Improving alternative fuel utilization: detailed kinetic combustion...

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

    Improving alternative fuel utilization: detailed kinetic combustion modeling & experimental testing Salvador Aceves, Daniel Flowers, Bill Pitz, Charlie Westbrook, Emma Silke,...

  17. Kinetic Modeling and Thermodynamic Closure Approximation of ...

    E-Print Network [OSTI]

    2007-10-03T23:59:59.000Z

    Oct 5, 2007 ... Kinetic Modeling and Thermodynamic Closure. Approximation of Liquid Crystal Polymers. Haijun Yu. Program in Applied and Computational ...

  18. Kinetic and electromagnetic transport processes in toroidal devices

    SciTech Connect (OSTI)

    Moses, R.W.; Schoenberg, K.F.

    1990-01-01T23:59:59.000Z

    A brief review of transport processes in toroidal devices is presented. Particular attention is given to radial transport of power by the Poynting's vector and kinetic electron flow. This work is primarily focused on the Reversed Field Pinch (RFP) which holds the added complexity of a dynamo process that sustains poloidal current in the edge region, where the toroidal field is reversed. The experimental observation of superthermal unidirectional electrons in the plasma edge of ZT-40M and HBTX1C is noted, and the rapid, nonclassical ion heating in RFPs is taken account of. Radial transport parallel to fluctuating magnetic field lines is deemed a likely candidate for both electromagnetic and kinetic energy transport. Two models are discussed and compared. It is concluded that electromagnetic transport using a local Ohm's law best describes nonclassical ion heating, and the transport of kinetic energy by long mean free path electrons best represents the half-Maxwellian of electrons observed in the edge of several RFPs. A nonlocal Ohm's law is essential for the kinetic electron model. 18 refs.

  19. Estimating The Thermodynamics And Kinetics Of Chlorinated Hydrocarbon...

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

    Estimating The Thermodynamics And Kinetics Of Chlorinated Hydrocarbon Degradation. Estimating The Thermodynamics And Kinetics Of Chlorinated Hydrocarbon Degradation. Abstract: Many...

  20. Challenges and Progress Toward a Commercial Kinetic Hydropower System

    E-Print Network [OSTI]

    Walter, M.Todd

    Challenges and Progress Toward a Commercial Kinetic Hydropower System for its kinetic hydropower devices, and has made precise measurements

  1. Kinetics of wet sodium vapor complex plasma

    SciTech Connect (OSTI)

    Mishra, S. K., E-mail: nishfeb@rediffmail.com [Institute for Plasma Research (IPR), Gandhinagar 382428 (India); Sodha, M. S. [Centre of Energy Studies, Indian Institute of Technology Delhi (IITD), New Delhi 110016 (India)] [Centre of Energy Studies, Indian Institute of Technology Delhi (IITD), New Delhi 110016 (India)

    2014-04-15T23:59:59.000Z

    In this paper, we have investigated the kinetics of wet (partially condensed) Sodium vapor, which comprises of electrons, ions, neutral atoms, and Sodium droplets (i) in thermal equilibrium and (ii) when irradiated by light. The formulation includes the balance of charge over the droplets, number balance of the plasma constituents, and energy balance of the electrons. In order to evaluate the droplet charge, a phenomenon for de-charging of the droplets, viz., evaporation of positive Sodium ions from the surface has been considered in addition to electron emission and electron/ion accretion. The analysis has been utilized to evaluate the steady state parameters of such complex plasmas (i) in thermal equilibrium and (ii) when irradiated; the results have been graphically illustrated. As a significant outcome irradiated, Sodium droplets are seen to acquire large positive potential, with consequent enhancement in the electron density.

  2. Benchmarking kinetic calculations of resistive wall mode stability

    SciTech Connect (OSTI)

    Berkery, J. W.; Sabbagh, S. A. [Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York 10027 (United States)] [Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York 10027 (United States); Liu, Y. Q. [Euratom/CCFE Fusion Association, Culham Science Centre, Abingdon OX14 3DB (United Kingdom)] [Euratom/CCFE Fusion Association, Culham Science Centre, Abingdon OX14 3DB (United Kingdom); Wang, Z. R.; Logan, N. C.; Park, J.-K.; Manickam, J. [Princeton Plasma Physics Laboratory, Princeton University, Princeton, New Jersey 08543 (United States)] [Princeton Plasma Physics Laboratory, Princeton University, Princeton, New Jersey 08543 (United States); Betti, R. [Laboratory for Laser Energetics, University of Rochester, Rochester, New York 14623 (United States)] [Laboratory for Laser Energetics, University of Rochester, Rochester, New York 14623 (United States)

    2014-05-15T23:59:59.000Z

    Validating the calculations of kinetic resistive wall mode (RWM) stability is important for confidently predicting RWM stable operating regions in ITER and other high performance tokamaks for disruption avoidance. Benchmarking the calculations of the Magnetohydrodynamic Resistive Spectrum—Kinetic (MARS-K) [Y. Liu et al., Phys. Plasmas 15, 112503 (2008)], Modification to Ideal Stability by Kinetic effects (MISK) [B. Hu et al., Phys. Plasmas 12, 057301 (2005)], and Perturbed Equilibrium Nonambipolar Transport (PENT) [N. Logan et al., Phys. Plasmas 20, 122507 (2013)] codes for two Solov'ev analytical equilibria and a projected ITER equilibrium has demonstrated good agreement between the codes. The important particle frequencies, the frequency resonance energy integral in which they are used, the marginally stable eigenfunctions, perturbed Lagrangians, and fluid growth rates are all generally consistent between the codes. The most important kinetic effect at low rotation is the resonance between the mode rotation and the trapped thermal particle's precession drift, and MARS-K, MISK, and PENT show good agreement in this term. The different ways the rational surface contribution was treated historically in the codes is identified as a source of disagreement in the bounce and transit resonance terms at higher plasma rotation. Calculations from all of the codes support the present understanding that RWM stability can be increased by kinetic effects at low rotation through precession drift resonance and at high rotation by bounce and transit resonances, while intermediate rotation can remain susceptible to instability. The applicability of benchmarked kinetic stability calculations to experimental results is demonstrated by the prediction of MISK calculations of near marginal growth rates for experimental marginal stability points from the National Spherical Torus Experiment (NSTX) [M. Ono et al., Nucl. Fusion 40, 557 (2000)].

  3. Master equation approach to protein folding and kinetic traps

    E-Print Network [OSTI]

    Marek Cieplak; Malte Henkel; Jan Karbowski; Jayanth R. Banavar

    1998-04-21T23:59:59.000Z

    The master equation for 12-monomer lattice heteropolymers is solved numerically and the time evolution of the occupancy of the native state is determined. At low temperatures, the median folding time follows the Arrhenius law and is governed by the longest relaxation time. For good folders, significant kinetic traps appear in the folding funnel whereas for bad folders, the traps also occur in non-native energy valleys.

  4. Kinetic Modeling and Assessment of Lime Pretreatment of Poplar Wood

    E-Print Network [OSTI]

    Sierra Ramirez, Rocio

    2012-02-14T23:59:59.000Z

    biomass is one of the most promising feedstocks for producing biofuels through fermentation processes. Among lignocellulose choices, poplar wood is appealing because of high energy potential, above-average carbon mitigation potential, fast growth... KINETIC MODELING AND ASSESSMENT OF LIME PRETREATMENT OF POPLAR WOOD A Dissertation by ROCIO SIERRA RAMIREZ Submitted to the Office of Graduate Studies of Texas A&M University in partial fulfillment of the requirements...

  5. Thermodynamics of Potassium Exchange in Soil Using a Kinetics Approach1 D. L. SPARKS AND P. M. JARDINEZ

    E-Print Network [OSTI]

    Sparks, Donald L.

    Thermodynamics of Potassium Exchange in Soil Using a Kinetics Approach1 D. L. SPARKS AND P. M. JARDINEZ ABSTRACT Thermodynamics of potassium (K) exchange using a kinetics ap- proach was investigated that more energy was needed to desorb K than to adsorb K. Thermodynamic and pseudother- modynamic parameters

  6. Kinetic theory of nonlinear transport phenomena in complex plasmas

    SciTech Connect (OSTI)

    Mishra, S. K. [Institute for Plasma Research (IPR), Gandhinagar 382428 (India); Sodha, M. S. [Centre for Energy Studies (CES), Indian Institute of Technology Delhi (IITD), New Delhi 110016 (India)

    2013-03-15T23:59:59.000Z

    In contrast to the prevalent use of the phenomenological theory of transport phenomena, a number of transport properties of complex plasmas have been evaluated by using appropriate expressions, available from the kinetic theory, which are based on Boltzmann's transfer equation; in particular, the energy dependence of the electron collision frequency has been taken into account. Following the recent trend, the number and energy balance of all the constituents of the complex plasma and the charge balance on the particles is accounted for; the Ohmic loss has also been included in the energy balance of the electrons. The charging kinetics for the complex plasma comprising of uniformly dispersed dust particles, characterized by (i) uniform size and (ii) the Mathis, Rumpl, and Nordsieck power law of size distribution has been developed. Using appropriate expressions for the transport parameters based on the kinetic theory, the system of equations has been solved to investigate the parametric dependence of the complex plasma transport properties on the applied electric field and other plasma parameters; the results are graphically illustrated.

  7. Kinetics of thermal decomposition of molybdenum carbonyl on a tungsten surface

    SciTech Connect (OSTI)

    Baev, A.K.; Podoprigora, V.I. [S.M. Kirov Belorussian Technological Inst., Minsk (Russian Federation)

    1993-04-20T23:59:59.000Z

    Thermal decomposition of Mo(CO){sub 6} on the surface of pyrolytic tungsten is performed under quasi-stationary conditions. The analysis of kinetics shows the reaction to occur in a kinetic region. The activation energy of Mo(CO){sub 6} decomposition on tungsten substrate calculated according to the Arrhenius equation is 63.7 {plus_minus} 3.0 kJ/mole. 4 refs., 1 fig., 1 tab.

  8. Kinetic bounding volume hierarchies for deformable objects

    E-Print Network [OSTI]

    Gabriel Zachmann; Tu Clausthal

    2006-01-01T23:59:59.000Z

    We present novel algorithms for updating bounding volume hierarchies of objects undergoing arbitrary deformations. Therefore, we introduce two new data structures, the kinetic AABB tree and the kinetic BoxTree. The event-based approach of the kinetic data structures framework enables us to show that our algorithms are optimal in the number of updates. Moreover, we show a lower bound for the total number of BV updates, which is independent of the number of frames. We used our kinetic bounding volume hierarchies for collision detection and performed a comparison with the classical bottomup update method. The results show that our algorithms perform up to ten times faster in practically relevant scenarios.

  9. Kinetics of the decomposition of tungsten hexacarbonyl

    SciTech Connect (OSTI)

    Podoprigora, V.I.; Baev, A.K.

    1987-07-20T23:59:59.000Z

    A differential-flow apparatus is devised for the study of the kinetics of the thermal decomposition of volatile metal carbonyls under quasi-stationary conditions. The applicability of the general kinetic approach to the investigation of the thermodecomposition of carbonyl compounds and of the analysis of the experimental data on the basis of specific thermodecomposition rates was proved. Well-founded kinetic characteristics were obtained for the first time for the thermodecomposition of tungsten carbonyl in the kinetic region and under quasi-stationary pyrolysis conditions.

  10. CLEERS Coordination & Development of Catalyst Process Kinetic...

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

    2: ORNL Research on LNT Sulfation & Desulfation (8744, 8746) Jae-Soon Choi Oak Ridge National Laboratory CLEERS Coordination & Development of Catalyst Process Kinetic Data...

  11. The Fractional Kinetic Equation and Thermonuclear Functions

    E-Print Network [OSTI]

    H. J. Haubold; A. M. Mathai

    2000-01-16T23:59:59.000Z

    The paper discusses the solution of a simple kinetic equation of the type used for the computation of the change of the chemical composition in stars like the Sun. Starting from the standard form of the kinetic equation it is generalized to a fractional kinetic equation and its solutions in terms of H-functions are obtained. The role of thermonuclear functions, which are also represented in terms of G- and H-functions, in such a fractional kinetic equation is emphasized. Results contained in this paper are related to recent investigations of possible astrophysical solutions of the solar neutrino problem.

  12. CLEERS Coordination & Development of Catalyst Process Kinetic...

    Energy Savers [EERE]

    CLEERS Coordination & Development of Catalyst Process Kinetic Data - Pres. 1: Coordination of CLEERS Project; Pres. 2: ORNL Research on LNT Sulfation & Desulfation CLEERS...

  13. Kinetics of actinide complexation reactions

    SciTech Connect (OSTI)

    Nash, K.L.; Sullivan, J.C.

    1997-09-01T23:59:59.000Z

    Though the literature records extensive compilations of the thermodynamics of actinide complexation reactions, the kinetics of complex formation and dissociation reactions of actinide ions in aqueous solutions have not been extensively investigated. In light of the central role played by such reactions in actinide process and environmental chemistry, this situation is somewhat surprising. The authors report herein a summary of what is known about actinide complexation kinetics. The systems include actinide ions in the four principal oxidation states (III, IV, V, and VI) and complex formation and dissociation rates with both simple and complex ligands. Most of the work reported was conducted in acidic media, but a few address reactions in neutral and alkaline solutions. Complex formation reactions tend in general to be rapid, accessible only to rapid-scan and equilibrium perturbation techniques. Complex dissociation reactions exhibit a wider range of rates and are generally more accessible using standard analytical methods. Literature results are described and correlated with the known properties of the individual ions.

  14. Combustion kinetics and reaction pathways

    SciTech Connect (OSTI)

    Klemm, R.B.; Sutherland, J.W. [Brookhaven National Laboratory, Upton, NY (United States)

    1993-12-01T23:59:59.000Z

    This project is focused on the fundamental chemistry of combustion. The overall objectives are to determine rate constants for elementary reactions and to elucidate the pathways of multichannel reactions. A multitechnique approach that features three independent experiments provides unique capabilities in performing reliable kinetic measurements over an exceptionally wide range in temperature, 300 to 2500 K. Recent kinetic work has focused on experimental studies and theoretical calculations of the methane dissociation system (CH{sub 4} + Ar {yields} CH{sub 3} + H + Ar and H + CH{sub 4} {yields} CH{sub 3} + H{sub 2}). Additionally, a discharge flow-photoionization mass spectrometer (DF-PIMS) experiment is used to determine branching fractions for multichannel reactions and to measure ionization thresholds of free radicals. Thus, these photoionization experiments generate data that are relevant to both reaction pathways studies (reaction dynamics) and fundamental thermochemical research. Two distinct advantages of performing PIMS with high intensity, tunable vacuum ultraviolet light at the National Synchrotron Light Source are high detection sensitivity and exceptional selectivity in monitoring radical species.

  15. KINETICS OF SLURRY PHASE FISCHER-TROPSCH SYNTHESIS

    SciTech Connect (OSTI)

    Dragomir B. Bukur; Gilbert F. Froment; Tomasz Olewski

    2006-09-29T23:59:59.000Z

    This report covers the fourth year of a research project conducted under the University Coal Research Program. The overall objective of this project is to develop a comprehensive kinetic model for slurry-phase Fischer-Tropsch synthesis (FTS) employing iron-based catalysts. This model will be validated with experimental data obtained in a stirred-tank slurry reactor (STSR) over a wide range of process conditions. The model will be able to predict molar flow rates and concentrations of all reactants and major product species (water, carbon dioxide, linear 1- and 2-olefins, and linear paraffins) as a function of reaction conditions in the STSR. During the fourth year of the project, an analysis of experimental data collected during the second year of this project was performed. Kinetic parameters were estimated utilizing product distributions from 27 mass balances. During the reporting period two kinetic models were employed: a comprehensive kinetic model of Dr. Li and co-workers (Yang et al., 2003) and a hydrocarbon selectivity model of Van der Laan and Beenackers (1998, 1999) The kinetic model of Yang et al. (2003) has 24 parameters (20 parameters for hydrocarbon formation, and 4 parameters for the water-gas-shift (WGS) reaction). Kinetic parameters for the WGS reaction and FTS synthesis were estimated first separately, and then simultaneously. The estimation of these kinetic parameters employed the Levenberg-Marquardt (LM) method and the trust-region reflective Newton large-scale (LS) method. A genetic algorithm (GA) was incorporated into estimation of parameters for FTS reaction to provide initial estimates of model parameters. All reaction rate constants and activation energies were found to be positive, but at the 95% confidence level the intervals were large. Agreement between predicted and experimental reaction rates has been fair to good. Light hydrocarbons are predicted fairly accurately, whereas the model underpredicts values of higher molecular weight hydrocarbons. Van der Laan and Beenackers hydrocarbon selectivity model provides a very good fit of the experimental data for hydrocarbons up to about C{sub 20}. However, the experimental data shows higher paraffin formation rates in C{sub 12}-C{sub 25} region which is likely due to hydrocracking or other secondary reactions. The model accurately captures the observed experimental trends of decreasing olefin to paraffin ratio and increasing {alpha} (chain growth length) with increase in chain length.

  16. Kinetic study of bitumen release from heated shale

    SciTech Connect (OSTI)

    Butler, E.B.; Barker, C.

    1986-10-01T23:59:59.000Z

    With rising temperature shales evolve hydrocarbons discontinuously. At low temperatures, bitumens are thermally distilled (Peak 1) while at higher temperatures kerogen is pyrolyzed to lower molecular weight products (Peak 2). Hydrocarbon release occurring between these two peaks is less well understood. They have studied the kinetics of thermal bitumen release (Peak 1) from samples of the Excello and Woodford Shales and find that they are second order with activation energies of 19,000 cals/mole and 17,048 cals/ mole, respectively. The thermal release of nC/sub 26/ adsorbed on a siliceous support also followed second order kinetics. Activation energies, along with the determined Arrhenius A factor, permits the calculation of Peak 1 shape so that its contribution can be subtracted from the total hydrocarbon release. The residual curve shows two smaller peaks between the bitumen and kerogen peaks. These are tentatively assigned to adsorption on the mineral matrix and adsorption on kerogen. An important consequence of second order kinetics is that the temperature for the Peak 1 maximum varies with the amount of bitumen in the rock.

  17. COMSOL-based Nuclear Reactor Kinetics Studies at the HFIR

    SciTech Connect (OSTI)

    Chandler, David [ORNL] [ORNL; Freels, James D [ORNL] [ORNL; Maldonado, G Ivan [ORNL] [ORNL; Primm, Trent [ORNL] [ORNL

    2011-01-01T23:59:59.000Z

    The computational ability to accurately predict the dynamic behavior of a nuclear reactor core in response to reactivity-induced perturbations is an important subject in reactor physics. Space-time and point kinetics methodologies were developed for the purpose of studying the transient-induced behavior of the High Flux Isotope Reactor s (HFIR) compact core. The space-time simulations employed the three-energy-group neutron diffusion equations, and transients initiated by control cylinder and hydraulic tube rabbit ejections were studied. The work presented here is the first step towards creating a comprehensive multiphysics methodology for studying the dynamic behavior of the HFIR core during reactivity perturbations. The results of these studies show that point kinetics is adequate for small perturbations in which the power distribution is assumed to be time-independent, but space-time methods must be utilized to determine localized effects.

  18. Kinetics of gasification of black liquor char by steam

    SciTech Connect (OSTI)

    Li, J.; van Heiningen, A.R.P. (Dept. of Chemical Engineering, McGill Univ., Pulp and Paper Research Inst. of Canada, Montreal, Quebec (CA))

    1991-07-01T23:59:59.000Z

    This paper reports on the steam gasification kinetics of kraft black liquor char that were studied in a thermogravimetric analysis reactor. The effect of steam and hydrogen concentration on gasification rate can be described by Langmuir-Hinshelwood type kinetics. An activation energy of 210 kJ/mol was obtained. Methane formation was negligible, and H{sub 2}S was the major gaseous sulfur-containing product obtained over the temperature range studied, 873-973 K. The CO{sub 2} concentration was higher than calculated for the water-shift reaction at equilibrium. A gasification mechanism is proposed whereby CO{sub 2} is one of the primary gasification products.

  19. Nonequilibrium sensing and its analogy to kinetic proofreading

    E-Print Network [OSTI]

    Hartich, David; Seifert, Udo

    2015-01-01T23:59:59.000Z

    For a paradigmatic model of chemotaxis, we analyze the effect how a nonzero affinity driving receptors out of equilibrium affects sensitivity. This affinity arises whenever changes in receptor activity involve ATP hydrolysis. The sensitivity integrated over a ligand concentration range is shown to be enhanced by the affinity, providing a measure of how much energy consumption improves sensing. With this integrated sensitivity we can establish an intriguing analogy between sensing with nonequilibrium receptors and kinetic proofreading: the increase in integrated sensitivity is equivalent to the decrease of the error in kinetic proofreading. The influence of the occupancy of the receptor on the phosphorylation and dephosphorylation reaction rates is shown to be crucial for the relation between integrated sensitivity and affinity. This influence can even lead to a regime where a nonzero affinity decreases the integrated sensitivity, which corresponds to anti-proofreading.

  20. ADVANCES IN ENVIRONMENTAL REACTION KINETICS AND THERMODYNAMICS

    E-Print Network [OSTI]

    Sparks, Donald L.

    1262 ADVANCES IN ENVIRONMENTAL REACTION KINETICS AND THERMODYNAMICS: LONG-TERM FATE thermodynamic and kinetic data is available with regard to the formation of these mixed metal precipitate phases to six months from the initial addition of aqueous nickel. Additionally, we have determined thermodynamic

  1. Chemical kinetics and oil shale process design

    SciTech Connect (OSTI)

    Burnham, A.K.

    1993-07-01T23:59:59.000Z

    Oil shale processes are reviewed with the goal of showing how chemical kinetics influences the design and operation of different processes for different types of oil shale. Reaction kinetics are presented for organic pyrolysis, carbon combustion, carbonate decomposition, and sulfur and nitrogen reactions.

  2. Kinetics of scrap tyre pyrolysis under vacuum conditions

    SciTech Connect (OSTI)

    Lopez, Gartzen; Aguado, Roberto [Departamento de Ingenieria Quimica, Universidad del Pais Vasco, Apartado 644, 48080 Bilbao (Spain); Olazar, Martin [Departamento de Ingenieria Quimica, Universidad del Pais Vasco, Apartado 644, 48080 Bilbao (Spain)], E-mail: martin.olazar@ehu.es; Arabiourrutia, Miriam; Bilbao, Javier [Departamento de Ingenieria Quimica, Universidad del Pais Vasco, Apartado 644, 48080 Bilbao (Spain)

    2009-10-15T23:59:59.000Z

    Scrap tyre pyrolysis under vacuum is attractive because it allows easier product condensation and control of composition (gas, liquid and solid). With the aim of determining the effect of vacuum on the pyrolysis kinetics, a study has been carried out in thermobalance. Two data analysis methods have been used in the kinetic study: (i) the treatment of experimental data of weight loss and (ii) the deconvolution of DTG (differential thermogravimetry) curve. The former allows for distinguishing the pyrolysis of the three main components (volatile components, natural rubber and styrene-butadiene rubber) according to three successive steps. The latter method identifies the kinetics for the pyrolysis of individual components by means of DTG curve deconvolution. The effect of vacuum in the process is significant. The values of activation energy for the pyrolysis of individual components of easier devolatilization (volatiles and NR) are lower for pyrolysis under vacuum with a reduction of 12 K in the reaction starting temperature. The kinetic constant at 503 K for devolatilization of volatile additives at 0.25 atm is 1.7 times higher than that at 1 atm, and that corresponding to styrene-butadiene rubber at 723 K is 2.8 times higher. Vacuum enhances the volatilization and internal diffusion of products in the pyrolysis process, which contributes to attenuating the secondary reactions of the repolymerization and carbonization of these products on the surface of the char (carbon black). The higher quality of carbon black is interesting for process viability. The large-scale implementation of this process in continuous mode requires a comparison to be made between the economic advantages of using a vacuum and the energy costs, which will be lower when the technologies used for pyrolysis require a lower ratio between reactor volume and scrap tyre flow rate.

  3. Gravitational energy

    E-Print Network [OSTI]

    Joseph Katz

    2005-10-20T23:59:59.000Z

    Observers at rest in a stationary spacetime flat at infinity can measure small amounts of rest-mass+internal energies+kinetic energies+pressure energy in a small volume of fluid attached to a local inertial frame. The sum of these small amounts is the total "matter energy" for those observers. The total mass-energy minus the matter energy is the binding gravitational energy. Misner, Thorne and Wheeler evaluated the gravitational energy of a spherically symmetric static spacetime. Here we show how to calculate gravitational energy in any static and stationary spacetime for isolated sources with a set of observers at rest. The result of MTW is recovered and we find that electromagnetic and gravitational 3-covariant energy densities in conformastatic spacetimes are of opposite signs. Various examples suggest that gravitational energy is negative in spacetimes with special symmetries or when the energy-momentum tensor satisfies usual energy conditions.

  4. Simulating galactic outflows with kinetic supernova feedback

    E-Print Network [OSTI]

    Claudio Dalla Vecchia; Joop Schaye

    2008-05-07T23:59:59.000Z

    Feedback from star formation is thought to play a key role in the formation and evolution of galaxies, but its implementation in cosmological simulations is currently hampered by a lack of numerical resolution. We present and test a sub-grid recipe to model feedback from massive stars in cosmological smoothed particle hydrodynamics simulations. The energy is distributed in kinetic form among the gas particles surrounding recently formed stars. The impact of the feedback is studied using a suite of high-resolution simulations of isolated disc galaxies embedded in dark halos with total mass 10^{10} and 10^{12} Msol/h. We focus in particular on the effect of pressure forces on wind particles within the disc, which we turn off temporarily in some of our runs to mimic a recipe that has been widely used in the literature. We find that this popular recipe gives dramatically different results because (ram) pressure forces on expanding superbubbles determine both the structure of the disc and the development of large-scale outflows. Pressure forces exerted by expanding superbubbles puff up the disc, giving the dwarf galaxy an irregular morphology and creating a galactic fountain in the massive galaxy. Hydrodynamic drag within the disc results in a strong increase of the effective mass loading of the wind for the dwarf galaxy, but quenches much of the outflow in the case of the high-mass galaxy.

  5. Global kinetics for a commercial diesel oxidation catalyst with...

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

    kinetics for a commercial diesel oxidation catalyst with two exhaust hydrocarbons Global kinetics for a commercial diesel oxidation catalyst with two exhaust hydrocarbons...

  6. Improving Combustion Software to Solve Detailed Chemical Kinetics...

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

    Combustion Software to Solve Detailed Chemical Kinetics for HECC Improving Combustion Software to Solve Detailed Chemical Kinetics for HECC 2012 DOE Hydrogen and Fuel Cells Program...

  7. Transport-controlled kinetics of dissolution and precipitation...

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

    Transport-controlled kinetics of dissolution and precipitation in the sediments under alkaline and saline conditions . Transport-controlled kinetics of dissolution and...

  8. Uncertainty analysis of multi-rate kinetics of uranium desorption...

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

    Uncertainty analysis of multi-rate kinetics of uranium desorption from sediments. Uncertainty analysis of multi-rate kinetics of uranium desorption from sediments. Abstract: A...

  9. Structure, Kinetics, and Thermodynamics of the Aqueous Uranyl...

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

    Kinetics, and Thermodynamics of the Aqueous Uranyl(VI) Cation. Structure, Kinetics, and Thermodynamics of the Aqueous Uranyl(VI) Cation. Abstract: Molecular simulation techniques...

  10. Intercalation Kinetics and Ion Mobility in Electrode Materials...

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

    Intercalation Kinetics and Ion Mobility in Electrode Materials for Advanced Lithium Ion Batteries Intercalation Kinetics and Ion Mobility in Electrode Materials for Advanced...

  11. Direct Visualization of Initial SEI Morphology and Growth Kinetics...

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

    Initial SEI Morphology and Growth Kinetics During Lithium Deposition by in situ Electrochemical Direct Visualization of Initial SEI Morphology and Growth Kinetics During Lithium...

  12. Design and operating characteristics of a transient kinetic analysis...

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

    operating characteristics of a transient kinetic analysis catalysis reactor system employing in situ transmission Design and operating characteristics of a transient kinetic...

  13. A Study and Comparison of SCR Reaction Kinetics from Reactor...

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

    A Study and Comparison of SCR Reaction Kinetics from Reactor and Engine Experimental Data A Study and Comparison of SCR Reaction Kinetics from Reactor and Engine Experimental Data...

  14. HIGH PRESSURE COAL COMBUSTON KINETICS PROJECT

    SciTech Connect (OSTI)

    Stefano Orsino

    2005-03-30T23:59:59.000Z

    As part of the U.S. Department of Energy (DoE) initiative to improve the efficiency of coal-fired power plants and reduce the pollution generated by these facilities, DOE has funded the High-Pressure Coal Combustion Kinetics (HPCCK) Projects. A series of laboratory experiments were conducted on selected pulverized coals at elevated pressures with the specific goals to provide new data for pressurized coal combustion that will help extend to high pressure and validate models for burnout, pollutant formation, and generate samples of solid combustion products for analyses to fill crucial gaps in knowledge of char morphology and fly ash formation. Two series of high-pressure coal combustion experiments were performed using SRI's pressurized radiant coal flow reactor. The first series of tests characterized the near burner flame zone (NBFZ). Three coals were tested, two high volatile bituminous (Pittsburgh No.8 and Illinois No.6), and one sub-bituminous (Powder River Basin), at pressures of 1, 2, and 3 MPa (10, 20, and 30 atm). The second series of experiments, which covered high-pressure burnout (HPBO) conditions, utilized a range of substantially longer combustion residence times to produce char burnout levels from 50% to 100%. The same three coals were tested at 1, 2, and 3 MPa, as well as at 0.2 MPa. Tests were also conducted on Pittsburgh No.8 coal in CO2 entrainment gas at 0.2, 1, and 2 MPa to begin establishing a database of experiments relevant to carbon sequestration techniques. The HPBO test series included use of an impactor-type particle sampler to measure the particle size distribution of fly ash produced under complete burnout conditions. The collected data have been interpreted with the help of CFD and detailed kinetics simulation to extend and validate devolatilization, char combustion and pollutant model at elevated pressure. A global NOX production sub-model has been proposed. The submodel reproduces the performance of the detailed chemical reaction mechanism for the NBFZ tests.

  15. Modeling of Reactor Kinetics and Dynamics

    SciTech Connect (OSTI)

    Matthew Johnson; Scott Lucas; Pavel Tsvetkov

    2010-09-01T23:59:59.000Z

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

  16. LABORATORY III POTENTIAL ENERGY

    E-Print Network [OSTI]

    Minnesota, University of

    LABORATORY III POTENTIAL ENERGY Lab III - 1 In previous problems, you have been introduced to the concepts of kinetic energy, which is associated with the motion of an object, and internal energy, which is associated with the internal structure of a system. In this section, you work with another form of energy

  17. Kinetic limits of dynamical systems

    E-Print Network [OSTI]

    Jens Marklof

    2014-08-06T23:59:59.000Z

    Since the pioneering work of Maxwell and Boltzmann in the 1860s and 1870s, a major challenge in mathematical physics has been the derivation of macroscopic evolution equations from the fundamental microscopic laws of classical or quantum mechanics. Macroscopic transport equations lie at the heart of many important physical theories, including fluid dynamics, condensed matter theory and nuclear physics. The rigorous derivation of macroscopic transport equations is thus not only a conceptual exercise that establishes their consistency with the fundamental laws of physics: the possibility of finding deviations and corrections to classical evolution equations makes this subject both intellectually exciting and relevant in practical applications. The plan of these lectures is to develop a renormalisation technique that will allow us to derive transport equations for the kinetic limits of two classes of simple dynamical systems, the Lorentz gas and kicked Hamiltonians (or linked twist maps). The technique uses the ergodic theory of flows on homogeneous spaces (homogeneous flows for short), and is based on joint work with Andreas Str\\"ombergsson.

  18. Consistent neutron kinetics data generation for nodal transient calculations

    SciTech Connect (OSTI)

    Akdeniz, B. [Penn State Univ., Nuclear Engineering Program, Univ. Park, PA 16802 (United States); Mueller, E.; Panayotov, D. [Westinghouse Electric Sweden, SE - 721 63 Vaesteraas (Sweden); Ivanov, K. N. [Penn State Univ., Nuclear Engineering Program, Univ. Park, PA 16802 (United States)

    2006-07-01T23:59:59.000Z

    Current three-dimensional transient codes for thermal reactors are mostly based on two-group diffusion-theory nodal models. In the two-group approach no explicit distinction is made between prompt fission neutrons and delayed neutrons. Consequently, effective delayed neutron fractions have traditionally been used in an attempt to compensate for this shortcoming. A fundamentally better approach would be to solve the nodal kinetics equations in a sufficient number of energy groups to explicitly capture neutron emission spectrum effects. However, this would require the availability of a multi-group nodal transient code as well as a lattice code to generate the appropriate multi-group nodal data for the simulator. One such simulator is the PARCS nodal transient code, which is widely used and recognized as representative of the current state-of-the-art. Unfortunately, a proper nodal data preparation path between PARCS and a lattice code is not available. Even though several industrial lattice codes could be considered as candidates, most of them are tailored to producing two-group nodal data and would require modifications to produce multi-group prompt and delayed neutron emission spectra. In this paper, the particular modifications required to match the TransLAT lattice code and the PARCS nodal transient code for BWR transient applications are reported. Some modifications to PARCS were also required to make two-group and multi-group applications fully consistent. Numerical results are presented both to verify the proper functioning of these modifications and to illuminate the impact of various nodal kinetics data approximations in a selected transient calculation. In particular, the significance of blending rodded and un-rodded kinetics data in partially rodded nodes is demonstrated. It is also confirmed that the use of delayed neutron importance factors in two-group calculations notably reduces the differences between two-group and multi-group kinetics calculations. (authors)

  19. A. La Rosa Lecture Notes ENERGY CONSERVATION

    E-Print Network [OSTI]

    ________________________________________________________________________ ENERGY CONSERVATION The Fisrt Law of Thermodynamics and the Classical Work Kinetic-Energy (CWE) Theorem I on a system II.4.B2 Heat-transfer Q II.4.C Fundamental Energy Conservation Law Generalization of the classic

  20. Mechanistic studies using kinetic isotope effects

    E-Print Network [OSTI]

    Schulmeier, Brian E.

    1999-01-01T23:59:59.000Z

    Understanding reaction mechanisms is an important aspect of chemistry. A now convenient way to study reaction mechanisms is kinetic isotope effects at natural abundance. This technique circumvents the cumbersome methods of traditional isotope effect...

  1. Kinetics of Anionic Surfactant Anoxic Degradation 

    E-Print Network [OSTI]

    Camacho, Julianna G.

    2010-07-14T23:59:59.000Z

    The biodegradation kinetics of Geropon TC-42 (trademark) by an acclimated culture was investigated in anoxic batch reactors to determine biokinetic coefficients to be implemented in two biofilm mathematical models. Geropon TC-42 (trademark...

  2. A kinetic model for the liquefaction of Texas lignite

    E-Print Network [OSTI]

    Haley, Sandra Kay

    1980-01-01T23:59:59.000Z

    shortages in the United States has led to investigations in alternative energy sources. Of particular interest is the lignite resource in Texas which is mainly situated in the east and central regions north of the Colorado River. There is an estimated...A KINETIC MODEL FOR THE LIQUEFACTION OF TEXAS LIGNITE 4 Thesis by SANDRA KAY BALKY Submitted to the Graduate College of Texas A&M University in partial fulfillment of the requirement for the degree of MASTER OF SCIENCE y 1980 Major Subject...

  3. Electromigration kinetics and critical current of Pb-free interconnects

    SciTech Connect (OSTI)

    Lu, Minhua; Rosenberg, Robert [IBM T. J. Watson Research Center, Yorktown Heights, New York 10598 (United States)

    2014-04-07T23:59:59.000Z

    Electromigration kinetics of Pb-free solder bump interconnects have been studied using a single bump parameter sweep technique. By removing bump to bump variations in structure, texture, and composition, the single bump sweep technique has provided both activation energy and power exponents that reflect atomic migration and interface reactions with fewer samples, shorter stress time, and better statistics than standard failure testing procedures. Contact metallurgies based on Cu and Ni have been studied. Critical current, which corresponds to the Blech limit, was found to exist in the Ni metallurgy, but not in the Cu metallurgy. A temperature dependence of critical current was also observed.

  4. Computing realizations of reaction kinetic networks with given properties

    E-Print Network [OSTI]

    Gorban, Alexander N.

    chemical reactions, reaction kinetic systems are the main building blocks of highly interconnected´avid Csercsik, Katalin M. Hangos Process Control Research Group, Computer and Automation Research Institute}@scl.sztaki.hu Keywords: Applications: (bio)chemical kinetics, reaction kinetic systems, mass action kinet- ics

  5. Nonlinear evolution of the magnetized Kelvin-Helmholtz instability: From fluid to kinetic modeling

    SciTech Connect (OSTI)

    Henri, P. [Dipartimento di Fisica, Università di Pisa, Largo Pontecorvo 3, 56127 Pisa (Italy) [Dipartimento di Fisica, Università di Pisa, Largo Pontecorvo 3, 56127 Pisa (Italy); Université de Nice Sophia Antipolis, CNRS, Observatoire de la Côte d'Azur, BP 4229 06304, Nice Cedex 4 (France); Cerri, S. S. [Dipartimento di Fisica, Università di Pisa, Largo Pontecorvo 3, 56127 Pisa (Italy) [Dipartimento di Fisica, Università di Pisa, Largo Pontecorvo 3, 56127 Pisa (Italy); Max-Planck-Institut für Plasmaphysik, EURATOM Association, D-85748 Garching (Germany); Califano, F.; Pegoraro, F. [Dipartimento di Fisica, Università di Pisa, Largo Pontecorvo 3, 56127 Pisa (Italy)] [Dipartimento di Fisica, Università di Pisa, Largo Pontecorvo 3, 56127 Pisa (Italy); Rossi, C. [Dipartimento di Fisica, Università di Pisa, Largo Pontecorvo 3, 56127 Pisa (Italy) [Dipartimento di Fisica, Università di Pisa, Largo Pontecorvo 3, 56127 Pisa (Italy); LPP-CNRS, Ecole Polytechnique, UPMC, Université Paris VI, Université Paris XI, route de Saclay, 91128 Palaiseau (France); Faganello, M. [International Institute for Fusion Science/PIIM, UMR 7345 CNRS, Aix-Marseille University, 13397 Marseille (France)] [International Institute for Fusion Science/PIIM, UMR 7345 CNRS, Aix-Marseille University, 13397 Marseille (France); Šebek, O. [Astronomical Institute and Institute of Atmospheric Physics, AS CR Bocni II/1401, CZ-14131 Prague, Czech Republic and Faculty of Nuclear Sciences and Physical Engineering, Czech Technical University in Prague, B?ehová 7, 11519 Prague (Czech Republic)] [Astronomical Institute and Institute of Atmospheric Physics, AS CR Bocni II/1401, CZ-14131 Prague, Czech Republic and Faculty of Nuclear Sciences and Physical Engineering, Czech Technical University in Prague, B?ehová 7, 11519 Prague (Czech Republic); Trávní?ek, P. M. [Space Sciences Laboratory, University of California Berkeley, 7 Gauss Way, Berkeley, California 94720, USA and Astronomical Institute and Institute of Atmospheric Physics, AS CR Bocni II/1401, CZ-14131 Prague (Czech Republic)] [Space Sciences Laboratory, University of California Berkeley, 7 Gauss Way, Berkeley, California 94720, USA and Astronomical Institute and Institute of Atmospheric Physics, AS CR Bocni II/1401, CZ-14131 Prague (Czech Republic); Hellinger, P. [Astronomical Institute and Institute of Atmospheric Physics, AS CR Bocni II/1401, CZ-14131 Prague (Czech Republic)] [Astronomical Institute and Institute of Atmospheric Physics, AS CR Bocni II/1401, CZ-14131 Prague (Czech Republic); and others

    2013-10-15T23:59:59.000Z

    The nonlinear evolution of collisionless plasmas is typically a multi-scale process, where the energy is injected at large, fluid scales and dissipated at small, kinetic scales. Accurately modelling the global evolution requires to take into account the main micro-scale physical processes of interest. This is why comparison of different plasma models is today an imperative task aiming at understanding cross-scale processes in plasmas. We report here the first comparative study of the evolution of a magnetized shear flow, through a variety of different plasma models by using magnetohydrodynamic (MHD), Hall-MHD, two-fluid, hybrid kinetic, and full kinetic codes. Kinetic relaxation effects are discussed to emphasize the need for kinetic equilibriums to study the dynamics of collisionless plasmas in non trivial configurations. Discrepancies between models are studied both in the linear and in the nonlinear regime of the magnetized Kelvin-Helmholtz instability, to highlight the effects of small scale processes on the nonlinear evolution of collisionless plasmas. We illustrate how the evolution of a magnetized shear flow depends on the relative orientation of the fluid vorticity with respect to the magnetic field direction during the linear evolution when kinetic effects are taken into account. Even if we found that small scale processes differ between the different models, we show that the feedback from small, kinetic scales to large, fluid scales is negligible in the nonlinear regime. This study shows that the kinetic modeling validates the use of a fluid approach at large scales, which encourages the development and use of fluid codes to study the nonlinear evolution of magnetized fluid flows, even in the collisionless regime.

  6. Theoretical Studies in Chemical Kinetics

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level:Energy: Grid Integration Redefining What'sis Taking Over OurThe Iron Spin Transition in the Earth'sConnect,LLCStartup America1Theofanis

  7. FIELD DEPENDENT SCATTERING AND HOT ELECTRON KINETICS D.C. Herbert and S.J. Till

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    space and this allows derivation of simple kinetic equations. The energy and field dependence electric fields. The technological trend towards VLSI systems, and the use of very high electric fields, for example in avalanche or electroluminescence devices, has led us to consider theoretical alter- natives

  8. Thermodynamics and Kinetics of a Molecular Motor Ensemble Josh E. Baker* and David D. Thomas

    E-Print Network [OSTI]

    Thomas, David D.

    Thermodynamics and Kinetics of a Molecular Motor Ensemble Josh E. Baker* and David D. Thomas is transferred to work is accelerated by the free energy of a motor-catalyzed reaction. This thermodynamic model cargo at useful rates along long polymer tracks, and, in this paper, we develop a minimal thermodynamic

  9. Chemical Kinetic Modeling of Advanced Transportation Fuels

    SciTech Connect (OSTI)

    PItz, W J; Westbrook, C K; Herbinet, O

    2009-01-20T23:59:59.000Z

    Development of detailed chemical kinetic models for advanced petroleum-based and nonpetroleum based fuels is a difficult challenge because of the hundreds to thousands of different components in these fuels and because some of these fuels contain components that have not been considered in the past. It is important to develop detailed chemical kinetic models for these fuels since the models can be put into engine simulation codes used for optimizing engine design for maximum efficiency and minimal pollutant emissions. For example, these chemistry-enabled engine codes can be used to optimize combustion chamber shape and fuel injection timing. They also allow insight into how the composition of advanced petroleum-based and non-petroleum based fuels affect engine performance characteristics. Additionally, chemical kinetic models can be used separately to interpret important in-cylinder experimental data and gain insight into advanced engine combustion processes such as HCCI and lean burn engines. The objectives are: (1) Develop detailed chemical kinetic reaction models for components of advanced petroleum-based and non-petroleum based fuels. These fuels models include components from vegetable-oil-derived biodiesel, oil-sand derived fuel, alcohol fuels and other advanced bio-based and alternative fuels. (2) Develop detailed chemical kinetic reaction models for mixtures of non-petroleum and petroleum-based components to represent real fuels and lead to efficient reduced combustion models needed for engine modeling codes. (3) Characterize the role of fuel composition on efficiency and pollutant emissions from practical automotive engines.

  10. Saffman-Taylor fingers with kinetic undercooling

    E-Print Network [OSTI]

    Gardiner, Bennett P J; Dallaston, Michael C; Moroney, Timothy J

    2015-01-01T23:59:59.000Z

    The mathematical model of a steadily propagating Saffman-Taylor finger in a Hele-Shaw channel has applications to two-dimensional interacting streamer discharges which are aligned in a periodic array. In the streamer context, the relevant regularisation on the interface is not provided by surface tension, but instead has been postulated to involve a mechanism equivalent to kinetic undercooling, which acts to penalise high velocities and prevent blow-up of the unregularised solution. Previous asymptotic results for the Hele-Shaw finger problem with kinetic undercooling suggest that for a given value of the kinetic undercooling parameter, there is a discrete set of possible finger shapes, each analytic at the nose and occupying a different fraction of the channel width. In the limit in which the kinetic undercooling parameter vanishes, the fraction for each family approaches 1/2, suggesting that this 'selection' of 1/2 by kinetic undercooling is qualitatively similar to the well-known analogue with surface tens...

  11. Problem Set # 5 1. In a stratified flow the energy containing eddies have a time scale of N-1

    E-Print Network [OSTI]

    Goodman, Louis

    kinetic energy dissipation rate. (a) Derive an expression for the time dependence (decay) of u in terms eddy of size l, where L l . (b) Obtain an expression for the turbulent kinetic energy per unit mass is the turbulent kinetic energy per unit mass 23 2 E u , u, the characteristic turbulent velocity, the turbulent

  12. INTRODUCTION Energy harvesting is the transformation of ambient energy present in

    E-Print Network [OSTI]

    Sóbester, András

    into electrical energy. This energy is derived from different external sources such as solar power, thermal energyINTRODUCTION Energy harvesting is the transformation of ambient energy present in the environment, wind energy, salinity gradient and kinetic energy. Harvesting energy from ambient vibration has

  13. Neptunium Binding Kinetics with Arsenazo(III)

    SciTech Connect (OSTI)

    Leigh R. Martin; Aaron T. Johnson; Stephen P. Mezyk

    2014-08-01T23:59:59.000Z

    This document has been prepared to meet FCR&D level 2 milestone M2FT-14IN0304021, “Report on the results of actinide binding kinetics with aqueous phase complexants” This work was carried out under the auspices of the Thermodynamics and Kinetics of Advanced Separations Systems FCR&D work package. The report details kinetics experiments that were performed to measure rates of aqueous phase complexation for pentavalent neptunium with the chromotropic dye Arsenazo III (AAIII). The studies performed were designed to determine how pH, ionic strength and AAIII concentration may affect the rate of the reaction. A brief comparison with hexavalent neptunium is also made. It was identified that as pH was increased the rate of reaction also increased, however increasing the ionic strength and concentration of AAIII had the opposite effect. Interestingly, the rate of reaction of Np(VI) with AAIII was found to be slower than that of the Np(V) reaction.

  14. A simple theory of protein folding kinetics

    E-Print Network [OSTI]

    Pande, Vijay S

    2010-01-01T23:59:59.000Z

    We present a simple model of protein folding dynamics that captures key qualitative elements recently seen in all-atom simulations. The goals of this theory are to serve as a simple formalism for gaining deeper insight into the physical properties seen in detailed simulations as well as to serve as a model to easily compare why these simulations suggest a different kinetic mechanism than previous simple models. Specifically, we find that non-native contacts play a key role in determining the mechanism, which can shift dramatically as the energetic strength of non-native interactions is changed. For protein-like non-native interactions, our model finds that the native state is a kinetic hub, connecting the strength of relevant interactions directly to the nature of folding kinetics.

  15. Testing a dissipative kinetic k-essence model

    E-Print Network [OSTI]

    Cardenas, V H; Villanueva, J R

    2015-01-01T23:59:59.000Z

    In this work, we present a study of a purely kinetic k-essence model, characterized basically by a parameter $\\alpha$ in presence of a bulk dissipative term, whose relationship between viscous pressure $\\Pi$ and energy density $\\rho$ of the background follows a polytropic type law $\\Pi \\propto \\rho^{\\lambda+1/2}$, where $\\lambda$, in principle, is a parameter without restrictions. Analytical solutions for the energy density of the k-essence field are found in two specific cases: $\\lambda=1/2$ and $\\lambda=(1-\\alpha)/2\\alpha$, and then we show that these solutions posses the same functional form than the non-viscous counterpart. Finally, both approach are contrasted with observational data from type Ia supernova, and the most recent Hubble parameter measurements, and therefore, the best values for the parameters of the theory are founds.

  16. Kinetic determination of selenium in biological material

    SciTech Connect (OSTI)

    Efremenko, O.A.; Krasnyuk, I.I.; Kudrin, A.N.; Rudenko, B.A.

    1986-05-10T23:59:59.000Z

    A very promising method for selenium determination is a kinetic analytical procedure that combines the simplicity and availability of physical instrumentation with a low analyte detection limit. This paper reports a modification of the method to enable the determination of selenium in rat blood and involves decomposing the sample with a mixture of nitric and perchloric acids, separation of the selenium (IV) from other decomposition products, and quantitatively determining selenium by the described kinetic method using the indicator reaction of iron (II) edetate oxidation by sodium nitrate.

  17. Kinetic studies of elementary chemical reactions

    SciTech Connect (OSTI)

    Durant, J.L. Jr. [Sandia National Laboratories, Livermore, CA (United States)

    1993-12-01T23:59:59.000Z

    This program concerning kinetic studies of elementary chemical reactions is presently focussed on understanding reactions of NH{sub x} species. To reach this goal, the author is pursuing experimental studies of reaction rate coefficients and product branching fractions as well as using electronic structure calculations to calculate transition state properties and reaction rate calculations to relate these properties to predicted kinetic behavior. The synergy existing between the experimental and theoretical studies allow one to gain a deeper insight into more complex elementary reactions.

  18. Chemical Kinetics of Combustion Processes

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office511041clothAdvanced Materials Advanced. C o w l i t z CPlasma of the Rotating 2015Analysis ofChemicalof

  19. Collisionless kinetic regimes for quasi-stationary axisymmetric accretion disc plasmas

    SciTech Connect (OSTI)

    Cremaschini, C. [International School for Advanced Studies (SISSA) and INFN, Trieste (Italy); Tessarotto, M. [Department of Mathematics and Geosciences, University of Trieste, Trieste (Italy)

    2012-08-15T23:59:59.000Z

    This paper is concerned with the kinetic treatment of quasi-stationary axisymmetric collisionless accretion disc plasmas. The conditions of validity of the kinetic description for non-relativistic magnetized and gravitationally bound plasmas of this type are discussed. A classification of the possible collisionless plasma regimes which can arise in these systems is proposed, which can apply to accretion discs around both stellar-mass compact objects and galactic-center black holes. Two different classifications are determined, which are referred to, respectively, as energy-based and magnetic field-based classifications. Different regimes are pointed out for each plasma species, depending both on the relative magnitudes of kinetic and potential energies and the magnitude of the magnetic field. It is shown that in all cases, there can be quasi-stationary Maxwellian-like solutions of the Vlasov equation. The perturbative approach outlined here permits unique analytical determination of the functional form for the distribution function consistent, in each kinetic regime, with the explicit inclusion of finite Larmor radius-diamagnetic and/or energy-correction effects.

  20. Comparisons of dense-plasma-focus kinetic simulations with experimental measurements

    SciTech Connect (OSTI)

    Schmidt, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Link, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Welch, D. [Voss Scientific, Inc., Albuquerque, NM (United States); Ellsworth, J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Falabella, S. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Tang, V. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2014-06-01T23:59:59.000Z

    Dense-plasma-focus (DPF) Z-pinch devices are sources of copious high-energy electrons and ions, x rays, and neutrons. The mechanisms through which these physically simple devices generate such high-energy beams in a relatively short distance are not fully understood and past optimization efforts of these devices have been largely empirical. Previously we reported on fully kinetic simulations of a DPF and compared them with hybrid and fluid simulations of the same device. Here we present detailed comparisons between fully kinetic simulations and experimental data on a 1.2 kJ DPF with two electrode geometries, including neutron yield and ion beam energy distributions. A more intensive third calculation is presented which examines the effects of a fully detailed pulsed power driver model. We also compare simulated electromagnetic fluctuations with direct measurement of radiofrequency electromagnetic fluctuations in a DPF plasma. These comparisons indicate that the fully kinetic model captures the essential physics of these plasmas with high fidelity, and provide further evidence that anomalous resistivity in the plasma arises due to a kinetic instability near the lower hybrid frequency.

  1. Widening the Axion Window via Kinetic and St\\"uckelberg Mixings

    E-Print Network [OSTI]

    Shiu, Gary; Ye, Fang

    2015-01-01T23:59:59.000Z

    We point out that kinetic and St\\"uckelberg mixings that are generically present in the low energy effective action of axions can significantly widen the window of axion decay constants. We show that an effective super-Planckian decay constant can be obtained even when the axion kinetic matrix has only sub-Planckian entries. Our minimal model involves only two axions, a St\\"uckelberg U(1) and a modest rank instanton generating non-Abelian group. Below the mass of the St\\"uckelberg U(1), there is only a single axion with a non-perturbatively generated potential. In contrast to previous approaches, the enhancement of the axion decay constant is not tied to the number of degrees of freedom introduced. We also discuss how kinetic mixings can lower the decay constant to the desired axion dark matter window. String theory embeddings of this scenario and their phenomenological features are briefly discussed.

  2. Aggregation kinetics of stiff polyelectrolytes in the presence of multivalent salt

    E-Print Network [OSTI]

    Hossein Fazli; Ramin Golestanian

    2007-09-04T23:59:59.000Z

    Using molecular dynamics simulations, the kinetics of bundle formation for stiff polyelectrolytes such as actin is studied in the solution of multivalent salt. The dominant kinetic mode of aggregation is found to be the case of one end of one rod meeting others at right angle due to electrostatic interactions. The kinetic pathway to bundle formation involves a hierarchical structure of small clusters forming initially and then feeding into larger clusters, which is reminiscent of the flocculation dynamics of colloids. For the first few cluster sizes, the Smoluchowski formula for the time evolution of the cluster size gives a reasonable account for the results of our simulation without a single fitting parameter. The description using Smoluchowski formula provides evidence for the aggregation time scale to be controlled by diffusion, with no appreciable energy barrier to overcome.

  3. Kinetics of the [beta]-[delta]phase transition in PBX9501.

    SciTech Connect (OSTI)

    Smilowitz, L. B. (Laura B.); Henson, B. F. (Bryan F.); Asay, B. W. (Blaine W.); Dickson, P. M. (Peter M.); Robinson, J. M. (Jeanne M.)

    2001-01-01T23:59:59.000Z

    The initial step in the thermal decomposition of HMX is the solid state phase transition from the centrosymmetric beta form to the noncentrosymmetric delta form. The symmetry change makes the phase transition amenable to the application of second harmonic generation (SHG) as a probe of transition kinetics. We have used SHG to study the temperature dependence of the kinetics for unconfined PBX9501 and HMX. Spatially resolved SHG measurements have shown a nucleation and growth mechanism for the solid state phase transition. We have measured the transition rate as a function of temperature in order to obtain the activation energy and entropy of transition, which determine the phase transition kinetics. Additionally, we have observed temperature dependent reversion of the delta phase to beta phase and have fimd that we can control the reversion rate by controlling the cooling.

  4. Energy

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625govInstrumentstdmadapInactiveVisitingContractElectron-StateEnergy /newsroom/_assets/images/energy-icon.png Energy

  5. The aging of tungsten filaments and its effect on wire surface kinetics in hot-wire chemical vapor deposition

    E-Print Network [OSTI]

    Atwater, Harry

    desorption kinetics. In particular, the Si signal exhibits a high temperature activation energy consistent vapor deposition growth have been measured by quadrupole mass spectrometry. New wires produce Si with previous measurements; the activation energy for the SiH3 signal suggests its formation is catalyzed. Aged

  6. Theoretical study of the ammonia nitridation rate on an Fe (100) surface: A combined density functional theory and kinetic Monte Carlo study

    E-Print Network [OSTI]

    Yeo, Sang Chul

    Ammonia (NH[subscript 3]) nitridation on an Fe surface was studied by combining density functional theory (DFT) and kinetic Monte Carlo (kMC) calculations. A DFT calculation was performed to obtain the energy barriers ...

  7. Astrophysical gyrokinetics: kinetic and fluid turbulent cascades in magnetized weakly collisional plasmas

    E-Print Network [OSTI]

    A. A. Schekochihin; S. C. Cowley; W. Dorland; G. W. Hammett; G. G. Howes; E. Quataert; T. Tatsuno

    2009-05-09T23:59:59.000Z

    We present a theoretical framework for plasma turbulence in astrophysical plasmas (solar wind, interstellar medium, galaxy clusters, accretion disks). The key assumptions are that the turbulence is anisotropic with respect to the mean magnetic field and frequencies are low compared to the ion cyclotron frequency. The energy injected at the outer scale scale has to be converted into heat, which ultimately cannot be done without collisions. A KINETIC CASCADE develops that brings the energy to collisional scales both in space and velocity. Its nature depends on the physics of plasma fluctuations. In each of the physically distinct scale ranges, the kinetic problem is systematically reduced to a more tractable set of equations. In the "inertial range" above the ion gyroscale, the kinetic cascade splits into a cascade of Alfvenic fluctuations, which are governed by the RMHD equations at both the collisional and collisionless scales, and a passive cascade of compressive fluctuations, which obey a linear kinetic equation along the moving field lines associated with the Alfvenic component. In the "dissipation range" between the ion and electron gyroscales, there are again two cascades: the kinetic-Alfven-wave (KAW) cascade governed by two fluid-like Electron RMHD equations and a passive phase-space cascade of ion entropy fluctuations. The latter cascade brings the energy of the inertial-range fluctuations that was damped by collisionless wave-particle interaction at the ion gyroscale to collisional scales in the phase space and leads to ion heating. The KAW energy is similarly damped at the electron gyroscale and converted into electron heat. Kolmogorov-style scaling relations are derived for these cascades. Astrophysical and space-physical applications are discussed in detail.

  8. Slow Sorption Kinetics of Pentachlorophenol on Soil

    E-Print Network [OSTI]

    Sparks, Donald L.

    -term sorption kinetic data and a void in the understanding of the factors that control the slow sorption stage virtually unexplored. A complete understanding of the mechanisms that control the slow sorption of organic.1; cation exchange capacity (CEC), 5.02 cmol/kg; 1.7% organic matter (measured by incineration); 29.6% sand

  9. CHEMICAL THERMODYNAMICS AND KINETICS Class Meetings

    E-Print Network [OSTI]

    Sherrill, David

    CHEM 6471 CHEMICAL THERMODYNAMICS AND KINETICS Class Meetings 9:35 ­ 10:55 am, Tuesday and Thursday of October 22-26 Textbooks Molecular Thermodynamics by D.A McQuarrie and J.D. Simon, University Science Books the laws of classical thermodynamics and some of their chemical applications. It also covers basic

  10. Interpreting the Aggregation Kinetics of Amyloid Peptides

    E-Print Network [OSTI]

    Caflisch, Amedeo

    Amyloid fibrils are insoluble mainly -sheet aggregates of proteins or peptides. The multi-step process) and amyloid-protected states, is used to investigate the kinetics of aggregation and the pathways of fibril state. The minimal-size aggregate able to form a fibril is generated by collisions of oligomers

  11. STATISTICAL ANALYSIS OF PROTEIN FOLDING KINETICS

    E-Print Network [OSTI]

    Dinner, Aaron

    STATISTICAL ANALYSIS OF PROTEIN FOLDING KINETICS AARON R. DINNER New Chemistry Laboratory for Protein Folding: Advances in Chemical Physics, Volume 120. Edited by Richard A. Friesner. Series Editors Experimental and theoretical studies have led to the emergence of a unified general mechanism for protein

  12. Thermodynamic and kinetic modeling of transcriptional pausing

    E-Print Network [OSTI]

    Chen, Kuang-Yu

    in the cotranscriptional RNA secondary structure upstream of the RNA exit channel. The calculations involve no adjustable of recovery of backtracked paused complexes. A crucial ingredient of our model is the incorporation of kinetic secondary structure, an aspect not included explicitly in previous attempts at modeling the transcrip- tion

  13. THE FUTURE OF ENERGY Carlo Rubbia

    E-Print Network [OSTI]

    horses1 is included, the equivalent of diesel for trucks and tractors today. One can see that the total energy generation of the planet. The portion of the earth's kinetic energy transformed into lunar

  14. Ethylbenzene dehydrogenation into styrene: kinetic modeling and reactor simulation

    E-Print Network [OSTI]

    Lee, Won Jae

    2007-04-25T23:59:59.000Z

    and physicochemical criteria. The kinetic model yielded an excellent fit of the experimental data. The intrinsic kinetic parameters were used with the heterogeneous fixed bed reactor model which is explicitly accounting for the diffusional limitations inside...

  15. On the Geometrical Gyro-Kinetic Theory Emmanuel Frnod

    E-Print Network [OSTI]

    Boyer, Edmond

    On the Geometrical Gyro-Kinetic Theory Emmanuel Frénod Mathieu Lutz Abstract - Considering introduced : Partial Lie Sums. Keywords - Tokamak; Stellarator; Gyro-Kinetic Approximation; Hamiltonian.6 The Darboux Coordinates System . . . . . . . . . . . . . . . . . . . . . . . . 32 3.7 Expression

  16. Ethylbenzene dehydrogenation into styrene: kinetic modeling and reactor simulation 

    E-Print Network [OSTI]

    Lee, Won Jae

    2007-04-25T23:59:59.000Z

    detailed kinetic model for coke formation and gasification, which was coupled to the kinetic model for the main reactions. The calculation of the dynamic equilibrium coke content provided a crucial guideline for the selection of the steam to ethylbenzene...

  17. Adsorption, Desorption, and Displacement Kinetics of H2O and...

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

    Displacement Kinetics of H2O and CO2 on TiO2(110). Adsorption, Desorption, and Displacement Kinetics of H2O and CO2 on TiO2(110). Abstract: The adsorption, desorption, and...

  18. Direct kinetic correlation of carriers and ferromagnetism in...

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

    kinetic correlation of carriers and ferromagnetism in Co2+ : ZnO. Direct kinetic correlation of carriers and ferromagnetism in Co2+ : ZnO. Abstract: We report the use of controlled...

  19. Products and Kinetics of the Reactions of an Alkane Monolayer...

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

    Products and Kinetics of the Reactions of an Alkane Monolayer and a Terminal Alkene Monolayer with NO Radicals. Products and Kinetics of the Reactions of an Alkane Monolayer and a...

  20. “Batch” Kinetics in Flow: Online IR Analysis and Continuous Control

    E-Print Network [OSTI]

    Moore, Jason S.

    Currently, kinetic data is either collected under steady-state conditions in flow or by generating time-series data in batch. Batch experiments are generally considered to be more suitable for the generation of kinetic ...

  1. Jeff Haack: Applications of computational kinetic theory | ornl...

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

    Jeff Haack: Applications of computational kinetic theory Jan 28 2014 10:15 AM - 11:15 AM ORNL CONTACT : Email: Billy Fields Phone: Add to Calendar SHARE Kinetic theory describes...

  2. Multiple-relaxation-time lattice Boltzmann kinetic model for combustion

    E-Print Network [OSTI]

    Xu, Aiguo; Zhang, Guangcai; Li, Yingjun

    2014-01-01T23:59:59.000Z

    To probe both the Mechanical Non-Equilibrium (MNE) and Thermodynamic Non-Equilibrium (TNE) in the combustion procedure, a two-dimensional Multiple-Relaxation-Time (MRT) version of the Lattice Boltzmann Kinetic Model(LBKM) for combustion phenomena is presented. The chemical energy released in the progress of combustion is dynamically coupled into the system by adding a chemical term to the LB kinetic equation. The LB model is required to recover the Navier-Stokes equations with chemical reaction in the hydrodynamic limit. To that aim, we construct a discrete velocity model with $24$ velocities divided into $3$ groups. In each group a flexible parameter is used to control the size of discrete velocities and a second parameter is used to describe the contribution of the extra degrees of freedom. The current model works for both subsonic and supersonic flows with or without chemical reaction. In this model both the specific-heat ratio and the Prandtl number are flexible, the TNE effects are naturally presented in...

  3. Hydro-kinetic approach to relativistic heavy ion collisions

    E-Print Network [OSTI]

    S. V. Akkelin; Y. Hama; Iu. A. Karpenko; Yu. M. Sinyukov

    2008-08-28T23:59:59.000Z

    We develop a combined hydro-kinetic approach which incorporates a hydrodynamical expansion of the systems formed in \\textit{A}+\\textit{A} collisions and their dynamical decoupling described by escape probabilities. The method corresponds to a generalized relaxation time ($\\tau_{\\text{rel}}$) approximation for the Boltzmann equation applied to inhomogeneous expanding systems; at small $\\tau_{\\text{rel}}$ it also allows one to catch the viscous effects in hadronic component - hadron-resonance gas. We demonstrate how the approximation of sudden freeze-out can be obtained within this dynamical picture of continuous emission and find that hypersurfaces, corresponding to a sharp freeze-out limit, are momentum dependent. The pion $m_{T}$ spectra are computed in the developed hydro-kinetic model, and compared with those obtained from ideal hydrodynamics with the Cooper-Frye isothermal prescription. Our results indicate that there does not exist a universal freeze-out temperature for pions with different momenta, and support an earlier decoupling of higher $p_{T}$ particles. By performing numerical simulations for various initial conditions and equations of state we identify several characteristic features of the bulk QCD matter evolution preferred in view of the current analysis of heavy ion collisions at RHIC energies.

  4. Chemical Kinetic Modeling of Hydrogen Combustion Limits

    SciTech Connect (OSTI)

    Pitz, W J; Westbrook, C K

    2008-04-02T23:59:59.000Z

    A detailed chemical kinetic model is used to explore the flammability and detonability of hydrogen mixtures. In the case of flammability, a detailed chemical kinetic mechanism for hydrogen is coupled to the CHEMKIN Premix code to compute premixed, laminar flame speeds. The detailed chemical kinetic model reproduces flame speeds in the literature over a range of equivalence ratios, pressures and reactant temperatures. A series of calculation were performed to assess the key parameters determining the flammability of hydrogen mixtures. Increased reactant temperature was found to greatly increase the flame speed and the flammability of the mixture. The effect of added diluents was assessed. Addition of water and carbon dioxide were found to reduce the flame speed and thus the flammability of a hydrogen mixture approximately equally well and much more than the addition of nitrogen. The detailed chemical kinetic model was used to explore the detonability of hydrogen mixtures. A Zeldovich-von Neumann-Doring (ZND) detonation model coupled with detailed chemical kinetics was used to model the detonation. The effectiveness on different diluents was assessed in reducing the detonability of a hydrogen mixture. Carbon dioxide was found to be most effective in reducing the detonability followed by water and nitrogen. The chemical action of chemical inhibitors on reducing the flammability of hydrogen mixtures is discussed. Bromine and organophosphorus inhibitors act through catalytic cycles that recombine H and OH radicals in the flame. The reduction in H and OH radicals reduces chain branching in the flame through the H + O{sub 2} = OH + O chain branching reaction. The reduction in chain branching and radical production reduces the flame speed and thus the flammability of the hydrogen mixture.

  5. Energy

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItem NotEnergy,ARMFormsGasRelease Date:researchEmerging ThreatsEmployment Openings

  6. Energy & technology review, April 1995

    SciTech Connect (OSTI)

    Bookless, W.A.; Stull, S. [eds.

    1995-04-01T23:59:59.000Z

    This publication presents research overviews on projects from the Lawrence Livermore laboratory. This issue provides information on microsphere targets for inertial confinement fusion experiments; laser fabrication of berllium components; and the kinetic energy interceptor.

  7. AER1301: KINETIC THEORY OF GASES Assignment #4

    E-Print Network [OSTI]

    Groth, Clinton P. T.

    - equilibrium cases, up to second order. (b) Derive an expression for the non-conservative form of the kineticAER1301: KINETIC THEORY OF GASES Assignment #4 1. Consider a monatomic gas with one translational by the relaxation time approx- imation. Neglecting external forces, the conserved form of the kinetic equation

  8. Kinetic modelling of the thermal decomposition of ettringite into metaettringite

    E-Print Network [OSTI]

    Boyer, Edmond

    the validity of kinetic assumptions (rate-determining step, expression of the rate as d/dt = k f() ...), a good1 Kinetic modelling of the thermal decomposition of ettringite into metaettringite J. Pourchez on nucleation and growth mechanisms of metaettringite remained. Therefore, a better understanding of the kinetic

  9. MODELING OF HYDRATION KINETICS AND SHRINKAGE OF PORTLAND CEMENT PASTE

    E-Print Network [OSTI]

    Meyer, Christian

    MODELING OF HYDRATION KINETICS AND SHRINKAGE OF PORTLAND CEMENT PASTE Feng Lin Submitted in partial and Sciences COLUMBIA UNIVERSITY 2006 #12;MODELING OF HYDRATION KINETICS AND SHRINKAGE OF PORTLAND CEMENT PASTE;ABSTRACT MODELING OF HYDRATION KINETICS AND SHRINKAGE OF PORTLAND CEMENT PASTE Feng Lin A mathematical

  10. Adsorption Kinetics of Surfactants at Fluid-Fluid Interfaces

    E-Print Network [OSTI]

    Andelman, David

    Adsorption Kinetics of Surfactants at Fluid-Fluid Interfaces Haim Diamant and David Andelman School-Fluid Interfaces, Adsorption, Adsorption Kinetics, Interfacial Tension. 1 #12;Abstract We review a new theoretical approach to the kinetics of surfactant adsorption at fluid-fluid interfaces. It yields a more complete

  11. Worldwide Oil Production Michaelis-Menten Kinetics Correlation and Regression

    E-Print Network [OSTI]

    Watkins, Joseph C.

    Michaelis-Menten Kinetics Worldwide Oil Production Example. The modern history of petroleum began in the 19Worldwide Oil Production Michaelis-Menten Kinetics Topic 4 Correlation and Regression Transformed Variables 1 / 13 #12;Worldwide Oil Production Michaelis-Menten Kinetics Outline Worldwide Oil Production

  12. The Inverse Kinetics Method and PID Compensation of the

    E-Print Network [OSTI]

    The Inverse Kinetics Method and PID Compensation of the Annular Core Research Reactor by Benjamin Kinetics Method and PID Compensation of the Annular Core Research Reactor by Benjamin Garnas ABSTRACT Kinetics Method and PID Compensation of the Annular Core Research Reactor by Benjamin Garnas B.S. General

  13. Kinetic and Macroscopic Models for Semiconductors Ansgar Jungel

    E-Print Network [OSTI]

    Jüngel, Ansgar

    Kinetic and Macroscopic Models for Semiconductors Ansgar J¨ungel Vienna University of Technology, Austria www.jungel.at.vu Ansgar J¨ungel (TU Wien) Kinetic Semiconductor Models www.jungel.at.vu 1 / 165 #12;Contents 1 Introduction 2 Semiconductor modeling Basics of semiconductor physics Kinetic models 3

  14. Kinetics of ion and prompt electron emission from laser-produced plasma

    SciTech Connect (OSTI)

    Farid, N. [Center for Materials Under Extreme Environment, School of Nuclear Engineering, Purdue University, West Lafayette, Indiana 47907 (United States) [Center for Materials Under Extreme Environment, School of Nuclear Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, School of Physics and Optical Engineering, Dalian University of Technology, Dalian (China); Harilal, S. S.; Hassanein, A. [Center for Materials Under Extreme Environment, School of Nuclear Engineering, Purdue University, West Lafayette, Indiana 47907 (United States)] [Center for Materials Under Extreme Environment, School of Nuclear Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Ding, H. [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, School of Physics and Optical Engineering, Dalian University of Technology, Dalian (China)] [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, School of Physics and Optical Engineering, Dalian University of Technology, Dalian (China)

    2013-07-15T23:59:59.000Z

    We investigated ion emission dynamics of laser-produced plasma from several elements, comprised of metals and non-metals (C, Al, Si, Cu, Mo, Ta, W), under vacuum conditions using a Faraday cup. The estimated ion flux for various targets studied showed a decreasing tendency with increasing atomic mass. For metals, the ion flux is found to be a function of sublimation energy. A comparison of temporal ion profiles of various materials showed only high-Z elements exhibited multiple structures in the ion time of flight profile indicated by the observation of higher peak kinetic energies, which were absent for low-Z element targets. The slower ions were seen regardless of the atomic number of target material propagated with a kinetic energy of 1–5 keV, while the fast ions observed in high-Z materials possessed significantly higher energies. A systematic study of plasma properties employing fast photography, time, and space resolved optical emission spectroscopy, and electron analysis showed that there existed different mechanisms for generating ions in laser ablation plumes. The origin of high kinetic energy ions is related to prompt electron emission from high-Z targets.

  15. Approximate models for the ion-kinetic regime in inertial-confinement-fusion capsule implosions

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

    Hoffman, Nelson M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)] (ORCID:000000030178767X); Zimmerman, George B. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Molvig, Kim [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Rinderknecht, Hans G. [MIT (Massachusetts Inst. of Technology), Cambridge, MA (United States); Rosenberg, Michael J. [MIT (Massachusetts Inst. of Technology), Cambridge, MA (United States); Albright, B. J. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Simakov, Andrei N. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Sio, Hong [MIT (Massachusetts Inst. of Technology), Cambridge, MA (United States)] (ORCID:000000017274236X); Zylstra, Alex B. [MIT (Massachusetts Inst. of Technology), Cambridge, MA (United States); Johnson, Maria Gatu [MIT (Massachusetts Inst. of Technology), Cambridge, MA (United States); Séguin, Fredrick H. [MIT (Massachusetts Inst. of Technology), Cambridge, MA (United States); Frenje, Johan A. [MIT (Massachusetts Inst. of Technology), Cambridge, MA (United States)] (ORCID:0000000168460378); Li, C. K. [MIT (Massachusetts Inst. of Technology), Cambridge, MA (United States); Petrasso, Richard D. [MIT (Massachusetts Inst. of Technology), Cambridge, MA (United States)] (ORCID:0000000258834054); Higdon, David M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Srinivasan, Gowri [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Glebov, Vladimir Yu. [Univ. of Rochester, NY (United States); Stoeckl, Christian [Univ. of Rochester, NY (United States); Seka, Wolf [Univ. of Rochester, NY (United States); Sangster, T. Craig [Univ. of Rochester, NY (United States)] (ORCID:0000000340402672)

    2015-05-01T23:59:59.000Z

    “Reduced” (i.e., simplified or approximate) ion-kinetic (RIK) models in radiation-hydrodynamic simulations permit a useful description of inertial-confinement-fusion (ICF) implosions where kinetic deviations from hydrodynamic behavior are important. For implosions in or near the kinetic regime (i.e., when ion mean free paths are comparable to the capsule size), simulations using a RIK model give a detailed picture of the time- and space-dependent structure of imploding capsules, allow an assessment of the relative importance of various kinetic processes during the implosion, enable explanations of past and current observations, and permit predictions of the results of future experiments. The RIK simulation method described here uses moment-based reduced kinetic models for transport of mass, momentum, and energy by long-mean-free-path ions, a model for the decrease of fusion reactivity owing to the associated modification of the ion distribution function, and a model of hydrodynamic turbulent mixing. The transport models are based on local gradient-diffusion approximations for the transport of moments of the ion distribution functions, with coefficients to impose flux limiting or account for transport modification. After calibration against a reference set of ICF implosions spanning the hydrodynamic-to-kinetic transition, the method has useful, quantifiable predictive ability over a broad range of capsule parameter space. Calibrated RIK simulations show that an important contributor to ion species separation in ICF capsule implosions is the preferential flux of longer-mean-free-path species out of the fuel and into the shell, leaving the fuel relatively enriched in species with shorter mean free paths. Also, the transport of ion thermal energy is enhanced in the kinetic regime, causing the fuel region to have a more uniform, lower ion temperature, extending over a larger volume, than implied by clean simulations. We expect that the success of our simple approach will motivate continued theoretical research into the development of first-principles-based, comprehensive, self-consistent, yet useable models of kinetic multispecies ion behavior in ICF plasmas.

  16. Approximate models for the ion-kinetic regime in inertial-confinement-fusion capsule implosions

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

    Hoffman, Nelson M.; Zimmerman, George B.; Molvig, Kim; Rinderknecht, Hans G.; Rosenberg, Michael J.; Albright, B. J.; Simakov, Andrei N.; Sio, Hong; Zylstra, Alex B.; Johnson, Maria Gatu; et al

    2015-05-01T23:59:59.000Z

    “Reduced” (i.e., simplified or approximate) ion-kinetic (RIK) models in radiation-hydrodynamic simulations permit a useful description of inertial-confinement-fusion (ICF) implosions where kinetic deviations from hydrodynamic behavior are important. For implosions in or near the kinetic regime (i.e., when ion mean free paths are comparable to the capsule size), simulations using a RIK model give a detailed picture of the time- and space-dependent structure of imploding capsules, allow an assessment of the relative importance of various kinetic processes during the implosion, enable explanations of past and current observations, and permit predictions of the results of future experiments. The RIK simulation method describedmore »here uses moment-based reduced kinetic models for transport of mass, momentum, and energy by long-mean-free-path ions, a model for the decrease of fusion reactivity owing to the associated modification of the ion distribution function, and a model of hydrodynamic turbulent mixing. The transport models are based on local gradient-diffusion approximations for the transport of moments of the ion distribution functions, with coefficients to impose flux limiting or account for transport modification. After calibration against a reference set of ICF implosions spanning the hydrodynamic-to-kinetic transition, the method has useful, quantifiable predictive ability over a broad range of capsule parameter space. Calibrated RIK simulations show that an important contributor to ion species separation in ICF capsule implosions is the preferential flux of longer-mean-free-path species out of the fuel and into the shell, leaving the fuel relatively enriched in species with shorter mean free paths. Also, the transport of ion thermal energy is enhanced in the kinetic regime, causing the fuel region to have a more uniform, lower ion temperature, extending over a larger volume, than implied by clean simulations. We expect that the success of our simple approach will motivate continued theoretical research into the development of first-principles-based, comprehensive, self-consistent, yet useable models of kinetic multispecies ion behavior in ICF plasmas.« less

  17. Energy harvesting of random wide-band vibrations with applications to an electro-magnetic rotational energy harvester

    E-Print Network [OSTI]

    Trimble, A. Zachary

    2011-01-01T23:59:59.000Z

    In general, vibration energy harvesting is the scavenging of ambient vibration by transduction of mechanical kinetic energy into electrical energy. Many mechanical or electro-mechanical systems produce mechanical vibrations. ...

  18. Estimating The Thermodynamics And Kinetics Of Chlorinated Hydrocarbon Degradation

    SciTech Connect (OSTI)

    Bylaska, Eric J.

    2006-08-01T23:59:59.000Z

    Many different degradation reactions of chlorinated hydrocarbons are possible in natural ground waters. In order to identify which degradation reactions are important, a large number of possible reaction pathways must be sorted out. Recent advances in ab initio electronic structure methods have the potential to help identify relevant environmental degradation reactions by characterizing the thermodynamic properties of all relevant contaminant species and intermediates for which experimental data is usually not available, as well as provide activation energies for relevant pathways. In this paper, strategies based on ab initio electronic structure methods for estimating thermochemical and kinetic properties of reactions with chlorinated hydrocarbons are presented. Particular emphasis is placed on strategies that are computationally fast and can be used for large organochlorine compounds such as 4,4?-DDT.

  19. Bench-scale Kinetics Study of Mercury Reactions in FGD Liquors

    SciTech Connect (OSTI)

    Gary Blythe; John Currie; David DeBerry

    2008-03-31T23:59:59.000Z

    This document is the final report for Cooperative Agreement DE-FC26-04NT42314, 'Kinetics Study of Mercury Reactions in FGD Liquors'. The project was co-funded by the U.S. DOE National Energy Technology Laboratory and EPRI. The objective of the project has been to determine the mechanisms and kinetics of the aqueous reactions of mercury absorbed by wet flue gas desulfurization (FGD) systems, and develop a kinetics model to predict mercury reactions in wet FGD systems. The model may be used to determine optimum wet FGD design and operating conditions to maximize mercury capture in wet FGD systems. Initially, a series of bench-top, liquid-phase reactor tests were conducted and mercury species concentrations were measured by UV/visible light spectroscopy to determine reactant and byproduct concentrations over time. Other measurement methods, such as atomic absorption, were used to measure concentrations of vapor-phase elemental mercury, that cannot be measured by UV/visible light spectroscopy. Next, a series of bench-scale wet FGD simulation tests were conducted. Because of the significant effects of sulfite concentration on mercury re-emission rates, new methods were developed for operating and controlling the bench-scale FGD experiments. Approximately 140 bench-scale wet FGD tests were conducted and several unusual and pertinent effects of process chemistry on mercury re-emissions were identified and characterized. These data have been used to develop an empirically adjusted, theoretically based kinetics model to predict mercury species reactions in wet FGD systems. The model has been verified in tests conducted with the bench-scale wet FGD system, where both gas-phase and liquid-phase mercury concentrations were measured to determine if the model accurately predicts the tendency for mercury re-emissions. This report presents and discusses results from the initial laboratory kinetics measurements, the bench-scale wet FGD tests, and the kinetics modeling efforts.

  20. Multiple-relaxation-time lattice Boltzmann kinetic model for combustion

    E-Print Network [OSTI]

    Aiguo Xu; Chuandong Lin; Guangcai Zhang; Yingjun Li

    2015-03-13T23:59:59.000Z

    To probe both the Hydrodynamic Non-Equilibrium (HNE) and Thermodynamic Non-Equilibrium (TNE) in the combustion process, a two-dimensional Multiple-Relaxation-Time (MRT) version of Lattice Boltzmann Kinetic Model(LBKM) for combustion phenomena is presented. The chemical energy released in the progress of combustion is dynamically coupled into the system by adding a chemical term to the LB kinetic equation. Beside describing the evolutions of the conserved quantities, the density, momentum and energy, which are what the Navier-Stokes model describes, the MRT-LBKM presents also a coarse-grained description on the evolutions of some non-conserved quantities. The current model works for both subsonic and supersonic flows with or without chemical reaction. In this model both the specific-heat ratio and the Prandtl number are flexible, the TNE effects are naturally presented in each simulation step. The model is verified and validated via well-known benchmark tests. As an initial application, various non-equilibrium behaviours, including the complex interplays between various HNEs, between various TNEs and between the HNE and TNE, around the detonation wave in the unsteady and steady one-dimensional detonation processes are preliminarily probed. It is found that the system viscosity (or heat conductivity) decreases the local TNE, but increase the global TNE around the detonation wave, that even locally, the system viscosity (or heat conductivity) results in two kinds of competing trends, to increase and to decrease the TNE effects. The physical reason is that the viscosity (or heat conductivity) takes part in both the thermodynamic and hydrodynamic responses.

  1. Multiple-relaxation-time lattice Boltzmann kinetic model for combustion

    E-Print Network [OSTI]

    Aiguo Xu; Chuandong Lin; Guangcai Zhang; Yingjun Li

    2014-11-25T23:59:59.000Z

    To probe both the Mechanical Non-Equilibrium (MNE) and Thermodynamic Non-Equilibrium (TNE) in the combustion procedure, a two-dimensional Multiple-Relaxation-Time (MRT) version of the Lattice Boltzmann Kinetic Model(LBKM) for combustion phenomena is presented. The chemical energy released in the progress of combustion is dynamically coupled into the system by adding a chemical term to the LB kinetic equation. The LB model is required to recover the Navier-Stokes equations with chemical reaction in the hydrodynamic limit. To that aim, we construct a discrete velocity model with $24$ velocities divided into $3$ groups. In each group a flexible parameter is used to control the size of discrete velocities and a second parameter is used to describe the contribution of the extra degrees of freedom. The current model works for both subsonic and supersonic flows with or without chemical reaction. In this model both the specific-heat ratio and the Prandtl number are flexible, the TNE effects are naturally presented in each simulation step. Via the MRT model, it is more convenient to track the effects of TNE and how the TNE influence the MNE behaviors. The model is verified and validated via well-known benchmark tests. It is found that around the detonation wave there are competition between the viscous effect, thermal diffusion effect and the gradient effects of physical quantities. Consequently, with decreasing the collision parameters, (i) the nonequilibrium region becomes wider and the gradients of physical quantities decrease; (ii) the position where the internal energy in the shocking degree of freedom equals the one averaged over all degrees of freedom moves away from the position for the von Neumann peak.

  2. Ion mediated crosslink driven mucous swelling kinetics

    E-Print Network [OSTI]

    Sircar, S

    2015-01-01T23:59:59.000Z

    We present an experimentally guided, multi-phasic, multi-species ionic gel model to compare and make qualitative predictions on the rheology of mucus of healthy individuals (Wild Type) versus those infected with Cystic Fibrosis. The mixture theory consists of the mucus (polymer phase) and water (solvent phase) as well as several different ions: H+, Na+ and Ca++. The model is linearized to study the hydration of spherically symmetric mucus gels and calibrated against the experimental data of mucus diffusivities. Near equilibrium, the linearized form of the equation describing the radial size of the gel, reduces to the well-known expression used in the kinetic theory of swelling hydrogels. Numerical studies reveal that the Donnan potential is the dominating mechanism driving the mucus swelling/deswelling transition. However, the altered swelling kinetics of the Cystic Fibrosis infected mucus is not merely governed by the hydroelectric composition of the swelling media, but also due to the altered movement of el...

  3. Niobium Silicon alloys for Kinetic Inductance Detectors

    E-Print Network [OSTI]

    Calvo, M; Monfardini, A; Benoit, A; Boudou, N; Bourrion, O; Catalano, A; Dumoulin, L; Goupy, J; Sueur, H Le; Marnieros, S

    2013-01-01T23:59:59.000Z

    We are studying the properties of Niobium Silicon amorphous alloys as a candidate material for the fabrication of highly sensitive Kinetic Inductance Detectors (KID), optimized for very low optical loads. As in the case of other composite materials, the NbSi properties can be changed by varying the relative amounts of its components. Using a NbSi film with T_c around 1 K we have been able to obtain the first NbSi resonators, observe an optical response and acquire a spectrum in the band 50 to 300 GHz. The data taken show that this material has very high kinetic inductance and normal state surface resistivity. These properties are ideal for the development of KID. More measurements are planned to further characterize the NbSi alloy and fully investigate its potential.

  4. Energy

    Office of Legacy Management (LM)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOn AprilA group currentBradleyTableSelling CorpNew 1325.8.Enaineer;/:4,4 (; ...) "..

  5. Analysis of a direct energy conversion system using medium energy helium ions

    E-Print Network [OSTI]

    Carter, Jesse James

    2006-08-16T23:59:59.000Z

    A scaled direct energy conversion device was built to convert kinetic energy of singly ionized helium ions into an electric potential by the process of direct conversion. The experiments in this paper aimed to achieve higher potentials and higher...

  6. Analysis of a direct energy conversion system using medium energy helium ions 

    E-Print Network [OSTI]

    Carter, Jesse James

    2006-08-16T23:59:59.000Z

    A scaled direct energy conversion device was built to convert kinetic energy of singly ionized helium ions into an electric potential by the process of direct conversion. The experiments in this paper aimed to achieve ...

  7. A New Spin on Neutrino Quantum Kinetics

    E-Print Network [OSTI]

    Vincenzo Cirigliano; George M. Fuller; Alexey Vlasenko

    2014-06-20T23:59:59.000Z

    We present and discuss the quantum kinetic equations (QKEs) which govern neutrino flavor and spin evolution in hot, dense, and anisotropic media. A novel feature of these QKEs is the presence of a coherent spin-flip term which can mediate neutrino-antineutrino transformation for Majorana neutrinos and active-sterile transformation for Dirac neutrinos. We provide an alternative derivation of this term based on a standard effective Hamiltonian.

  8. Turbulence Kinetic Energy in the Oklahoma City Urban Environment

    SciTech Connect (OSTI)

    Lundquist, J K; Leach, M; Gouveia, F

    2004-03-30T23:59:59.000Z

    The Joint URBAN 2003 field experiment took place in Oklahoma City, Oklahoma, during July 2003 to explore the effect of an urban canopy on the transport and diffusion of a passive tracer released in an urban area. Over one hundred three-dimensional sonic anemometers were deployed in and around the urban area to monitor wind speed, direction, and turbulence during releases of SF6. Deployment locations include a profile of eight sonic anemometers mounted on a crane located 1 km north (typically downwind) of the central business district, and several surface meteorological towers within an urban canyon.

  9. Kinetic energy error in the NIMROD spheromak simulations Carl Sovinec

    E-Print Network [OSTI]

    Sovinec, Carl

    divergence always occurs near the electrodes, where non-fluid processes in an experiment may be largest

  10. Energy landscapes, folding mechanisms and kinetics of RNA tetraloop hairpins

    E-Print Network [OSTI]

    Chakraborty, Debayan; Collepardo-Guevara, Rosana; Wales, David J.

    2014-12-02T23:59:59.000Z

    41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 model, with the existence of several intermediates along the folding pathway. Recently, temper- ature jump in combination with microfluidic mixing techniques have revealed that the relaxation... with the recent experimental findings (for DNA hairpins) of Ansari and co-workers.41 In their study, the authors employed a combination of laser induced temperature jump and microfluidic techniques to initiate folding from different start- ing conditions...

  11. Kinetic relaxation models for energy transport , Peter MARKOWICH

    E-Print Network [OSTI]

    Markowich, Peter A.

    . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22 3 Monotonic functions FBE() and RBE() and procedure of inversion

  12. Introduction to Potential Energy Surfaces The non-relativistic, time-independent, electrostatic molecular Hamiltonian is comprised of

    E-Print Network [OSTI]

    Tchumper, Gregory S.

    Introduction to Potential Energy Surfaces The non-relativistic, time-independent, electrostatic molecular Hamiltonian is comprised of terms for the kinetic energy (T) and potential energy (V the Born-Oppenheimer approximation, the kinetic energy of the nuclei vanishes and the potential energy

  13. Physics 5B Winter 2009 Rate of Energy Transfer by Sinusoidal Waves on a String

    E-Print Network [OSTI]

    California at Santa Cruz, University of

    , Vibrations and Waves (W.W. Norton and Company, New York, 1971). First, we compute the kinetic energyPhysics 5B Winter 2009 Rate of Energy Transfer by Sinusoidal Waves on a String Consider the kinetic energy and the potential energy of this string segment due to the passage of a traveling wave

  14. Enhanced Generic Phase-field Model of Irradiation Materials: Fission Gas Bubble Growth Kinetics in Polycrystalline UO2

    SciTech Connect (OSTI)

    Li, Yulan; Hu, Shenyang Y.; Montgomery, Robert O.; Gao, Fei; Sun, Xin

    2012-05-30T23:59:59.000Z

    Experiments show that inter-granular and intra-granular gas bubbles have different growth kinetics which results in heterogeneous gas bubble microstructures in irradiated nuclear fuels. A science-based model predicting the heterogeneous microstructure evolution kinetics is desired, which enables one to study the effect of thermodynamic and kinetic properties of the system on gas bubble microstructure evolution kinetics and morphology, improve the understanding of the formation mechanisms of heterogeneous gas bubble microstructure, and provide the microstructure to macroscale approaches to study their impact on thermo-mechanical properties such as thermo-conductivity, gas release, volume swelling, and cracking. In our previous report 'Mesoscale Benchmark Demonstration, Problem 1: Mesoscale Simulations of Intra-granular Fission Gas Bubbles in UO2 under Post-irradiation Thermal Annealing', we developed a phase-field model to simulate the intra-granular gas bubble evolution in a single crystal during post-irradiation thermal annealing. In this work, we enhanced the model by incorporating thermodynamic and kinetic properties at grain boundaries, which can be obtained from atomistic simulations, to simulate fission gas bubble growth kinetics in polycrystalline UO2 fuels. The model takes into account of gas atom and vacancy diffusion, vacancy trapping and emission at defects, gas atom absorption and resolution at gas bubbles, internal pressure in gas bubbles, elastic interaction between defects and gas bubbles, and the difference of thermodynamic and kinetic properties in matrix and grain boundaries. We applied the model to simulate gas atom segregation at grain boundaries and the effect of interfacial energy and gas mobility on gas bubble morphology and growth kinetics in a bi-crystal UO2 during post-irradiation thermal annealing. The preliminary results demonstrate that the model can produce the equilibrium thermodynamic properties and the morphology of gas bubbles at grain boundaries for given grain boundary properties. More validation of the model capability in polycrystalline is underway.

  15. Stochastic Ion Heating at the Magnetopause due to Kinetic Alfven Waves

    SciTech Connect (OSTI)

    Jay R. Johnson; C.Z. Cheng

    2001-08-10T23:59:59.000Z

    The magnetopause and boundary layer are typically characterized by large amplitude transverse wave activity with frequency below the ion cyclotron frequency. The signatures of the transverse waves suggest that they are kinetic Alfven waves with wavelength on the order of the ion gyroradius. We investigate ion motion in the presence of large amplitude kinetic Alfven waves with wavelength the order of rho(subscript ''i'') and demonstrate that for sufficiently large wave amplitude (delta B(subscript ''perpendicular'')/B(subscript ''0'') > 0.05) the particle orbits become stochastic. As a result, low energy particles in the core of the ion distribution can migrate to higher energy through the stochastic sea leading to an increase in T(subscript ''perpendicular'') and a broadening of the distribution. This process can explain transverse ion energization and formation of conics which have been observed in the low-latitude boundary layer.

  16. Entropy and Kinetics of Point-Defects in Two-Dimensional Dipolar Crystals

    E-Print Network [OSTI]

    Wolfgang Lechner; David Polster; Georg Maret; Christoph Dellago; Peter Keim

    2015-02-18T23:59:59.000Z

    We study in experiment and with computer simulation the free energy and the kinetics of vacancy and interstitial defects in two-dimensional dipolar crystals. The defects appear in different local topologies which we characterize by their point group symmetry; $C_n$ is the n-fold cyclic group and $D_n$ is the dihedral group, including reflections. The frequency of different local topologies is not determined by their almost degenerate energies but dominated by entropy for symmetric configurations. The kinetics of the defects is fully reproduced by a master equation in a multi-state Markov model. In this model, the system is described by the state of the defect and the time evolution is given by transitions occurring with particular rates. These transition rate constants are extracted from experiments and simulations using an optimisation procedure. The good agreement between experiment, simulation and master equation thus provides evidence for the accuracy of the model.

  17. Thermodynamics and Kinetics of a Go Proteinlike Heteropolymer Model with Two-State Folding Characteristics

    E-Print Network [OSTI]

    Anna Kallias; Michael Bachmann; Wolfhard Janke

    2007-12-06T23:59:59.000Z

    We present results of Monte Carlo computer simulations of a coarse-grained hydrophobic-polar Go-like heteropolymer model and discuss thermodynamic properties and kinetics of an exemplified heteropolymer, exhibiting two-state folding behavior. It turns out that general, characteristic folding features of realistic proteins with a single free-energy barrier can also be observed in this simplified model, where the folding transition is primarily driven by the hydrophobic force.

  18. The folding kinetics of ribonuclease Sa and a charge-reversal variant

    E-Print Network [OSTI]

    Trefethen, Jared M.

    2005-02-17T23:59:59.000Z

    Coulomb?s Law suggested that favorable electrostatic interactions in the denatured state were the cause for the decreased stability for the charge-reversed variant. Folding and unfolding kinetic studies were designed and conducted to study the iv charge... of the denatured state as suspected. Additionally, the results showed that the transition state was stabilized as well. These results show that a specific Coulombic interaction lowered the free energy in the denatured and transition state of the charge...

  19. Binding Energies in Nonrelativistic Field Theories

    E-Print Network [OSTI]

    Andreas S. Kronfeld

    1996-08-26T23:59:59.000Z

    Relativistic corrections communicate the binding energy of a bound state to its kinetic mass. This mechanism is reviewed and used to explain anomalous results of Collins, Edwards, Heller, and Sloan (hep-lat/9512026), which compared rest and kinetic masses of heavy-light mesons and quarkonia.

  20. Stepping and crowding of molecular motors: statistical kinetics from an exclusion process perspective

    E-Print Network [OSTI]

    Luca Ciandrini; M. Carmen Romano; A. Parmeggiani

    2014-05-26T23:59:59.000Z

    Motor enzymes are remarkable molecular machines that use the energy derived from the hydrolysis of a nucleoside triphosphate to generate mechanical movement, achieved through different steps that constitute their kinetic cycle. These macromolecules, nowadays investigated with advanced experimental techniques to unveil their molecular mechanisms and the properties of their kinetic cycles, are implicated in many biological processes, ranging from biopolymerisation (e.g. RNA polymerases and ribosomes) to intracellular transport (motor proteins such as kinesins or dyneins). Although the kinetics of individual motors is well studied on both theoretical and experimental grounds, the repercussions of their stepping cycle on the collective dynamics still remains unclear. Advances in this direction will improve our comprehension of transport process in the natural intracellular medium, where processive motor enzymes might operate in crowded conditions. In this work, we therefore extend the current statistical kinetic analysis to study collective transport phenomena of motors in terms of lattice gas models belonging to the exclusion process class. Via numerical simulations, we show how to interpret and use the randomness calculated from single particle trajectories in crowded conditions. Importantly, we also show that time fluctuations and non-Poissonian behavior are intrinsically related to spatial correlations and the emergence of large, but finite, clusters of co-moving motors. The properties unveiled by our analysis have important biological implications on the collective transport characteristics of processive motor enzymes in crowded conditions.

  1. Kinetics of Uranium(VI) Desorption from Contaminated Sediments: Effect of Geochemical Conditions and Model Evaluation

    SciTech Connect (OSTI)

    Liu, Chongxuan; Shi, Zhenqing; Zachara, John M.

    2009-09-01T23:59:59.000Z

    Stirred-flow cell experiments were performed to investigate the kinetics of uranyl [U(VI)] desorption from a contaminated sediment collected from the Hanford 300 Area at the US Department of Energy (DOE) Hanford Site, Washington. Three influent solutions of variable pH, Ca and carbonate concentrations that affected U(VI) aqueous and surface speciation were used under dynamic flow conditions to evaluate the effect of geochemical conditions on the rate of U(VI) desorption. The measured rate of U(VI) desorption varied with solution chemical composition that evolved as a result of thermodynamic and kinetic interactions between the influent solutions and sediment. The solution chemical composition that led to a lower equilibrium U(VI) sorption to the solid phase yielded a faster desorption rate. The experimental results were used to evaluate a multi-rate, surface complexation model (SCM) that has been proposed to describe U(VI) desorption kinetics in the Hanford sediment that contained complex sorbed U(VI) species in mass transfer limited domains. The model was modified and supplemented by including multi-rate, ion exchange reactions to describe the geochemical interactions between the solutions and sediment. With the same set of model parameters, the modified model reasonably well described the evolution of major ions and the rates of U(VI) desorption under variable geochemical and flow conditions, implying that the multi-rate SCM is an effective way to describe U(VI) desorption kinetics in subsurface sediments.

  2. Aspartate beta-decarboxylase from Alcaligenes faecalis: carbon-13 kinetic isotope effect and deuterium exchange experiments

    SciTech Connect (OSTI)

    Rosenberg, R.M.; O'Leary, M.H.

    1985-03-26T23:59:59.000Z

    The authors have measured the /sup 13/C kinetic isotope effect at pH 4.0, 5.0, 6.0, and 6.5 and in D/sub 2/O at pH 5.0 and the rate of D-H exchange of the alpha and beta protons of aspartic acid in D/sub 2/O at pH 5.0 for the reaction catalyzed by the enzyme aspartate beta-decarboxylase from Alcaligenes faecalis. The /sup 13/C kinetic isotope effect, with a value of 1.0099 +/- 0.0002 at pH 5.0, is less than the intrinsic isotope effect for the decarboxylation step, indicating that the decarboxylation step is not entirely rate limiting. The authors have been able to estimate probable values of the relative free energies of the transition states of the enzymatic reaction up to and including the decarboxylation step from the /sup 13/C kinetic isotope effect and the rate of D-H exchange of alpha-H. The pH dependence of the kinetic isotope effect reflects the pKa of the pyridine nitrogen of the coenzyme pyridoxal 5'-phosphate but not that of the imine nitrogen. A mechanism is proposed for the exchange of aspartate beta-H that is consistent with the stereochemistry suggested earlier.

  3. Photoinduced bimolecular electron transfer kinetics in small unilamellar vesicles

    SciTech Connect (OSTI)

    Choudhury, Sharmistha Dutta; Kumbhakar, Manoj; Nath, Sukhendu; Pal, Haridas [Radiation and Photochemistry Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India)

    2007-11-21T23:59:59.000Z

    Photoinduced electron transfer (ET) from N,N-dimethylaniline to some coumarin derivatives has been studied in small unilamellar vesicles (SUVs) of the phospholipid, DL-{alpha}-dimyristoyl-phosphatidylcholine, using steady-state and time-resolved fluorescence quenching, both below and above the phase transition temperature of the vesicles. The primary interest was to examine whether Marcus inversion [H. Sumi and R. A. Marcus, J. Chem. Phys. 84, 4894 (1986)] could be observed for the present ET systems in these organized assemblies. The influence of the topology of SUVs on the photophysical properties of the reactants and consequently on their ET kinetics has also been investigated. Absorption and fluorescence spectral data of the coumarins in SUVs and the variation of their fluorescence decays with temperature indicate that the dyes are localized in the bilayer of the SUVs. Time-resolved area normalized emission spectra analysis, however, reveals that the dyes are distributed in two different microenvironments in the SUVs, which we attribute to the two leaflets of the bilayer, one toward bulk water and the other toward the inner water pool. The microenvironments in the two leaflets are, however, not indicated to be that significantly different. Time-resolved anisotropy decays were biexponential for all the dyes in SUVs, and this has been interpreted in terms of the compound motion model according to which the dye molecules can experience a fast wobbling-in-cone type of motion as well as a slow overall rotating motion of the cone containing the molecule. The expected bimolecular diffusion-controlled rates in SUVs, as estimated by comparing the microviscosities in SUVs (determined from rotational correlation times) and that in acetonitrile solution, are much slower than the observed fluorescence quenching rates, suggesting that reactant diffusion (translational) does not play any role in the quenching kinetics in the present systems. Accordingly, clear inversions are observed in the correlation of the fluorescence quenching rate constants k{sub q} with the free energy change, {delta}G{sup 0} of the reactions. However, the coumarin dyes, C152 and C481 (cf. Scheme 1), show unusually high k{sub q} values and high activation barriers, which is not expected from Marcus ET theory. This unusual behavior is explained on the basis of participation of the twisted intramolecular charge transfer states of these two dyes in the ET kinetics.

  4. ENERGY

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels DataDepartment of Energy Your Density Isn't Your Destiny:RevisedAdvisory Board Contributions EMEM RecoveryManagement'sJuneAprilEMS U.S.

  5. Energy

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville Power AdministrationField Campaign:INEAWater UseCElizabethTwoJaniceEnerG2Energetics of Hydrogen .M

  6. Desorption and sublimation kinetics for fluorinated aluminum nitride surfaces

    SciTech Connect (OSTI)

    King, Sean W., E-mail: sean.king@intel.com; Davis, Robert F. [Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695 (United States); Nemanich, Robert J. [Department of Physics, North Carolina State University, Raleigh, North Carolina 27695 (United States)

    2014-09-01T23:59:59.000Z

    The adsorption and desorption of halogen and other gaseous species from surfaces is a key fundamental process for both wet chemical and dry plasma etch and clean processes utilized in nanoelectronic fabrication processes. Therefore, to increase the fundamental understanding of these processes with regard to aluminum nitride (AlN) surfaces, temperature programmed desorption (TPD) and x-ray photoelectron spectroscopy (XPS) have been utilized to investigate the desorption kinetics of water (H{sub 2}O), fluorine (F{sub 2}), hydrogen (H{sub 2}), hydrogen fluoride (HF), and other related species from aluminum nitride thin film surfaces treated with an aqueous solution of buffered hydrogen fluoride (BHF) diluted in methanol (CH{sub 3}OH). Pre-TPD XPS measurements of the CH{sub 3}OH:BHF treated AlN surfaces showed the presence of a variety of Al-F, N-F, Al-O, Al-OH, C-H, and C-O surfaces species in addition to Al-N bonding from the AlN thin film. The primary species observed desorbing from these same surfaces during TPD measurements included H{sub 2}, H{sub 2}O, HF, F{sub 2}, and CH{sub 3}OH with some evidence for nitrogen (N{sub 2}) and ammonia (NH{sub 3}) desorption as well. For H{sub 2}O, two desorption peaks with second order kinetics were observed at 195 and 460?°C with activation energies (E{sub d}) of 51?±?3 and 87?±?5?kJ/mol, respectively. Desorption of HF similarly exhibited second order kinetics with a peak temperature of 475?°C and E{sub d} of 110?±?5?kJ/mol. The TPD spectra for F{sub 2} exhibited two peaks at 485 and 585?°C with second order kinetics and E{sub d} of 62?±?3 and 270?±?10?kJ/mol, respectively. These values are in excellent agreement with previous E{sub d} measurements for desorption of H{sub 2}O from SiO{sub 2} and AlF{sub x} from AlN surfaces, respectively. The F{sub 2} desorption is therefore attributed to fragmentation of AlF{sub x} species in the mass spectrometer ionizer. H{sub 2} desorption exhibited an additional high temperature peak at 910?°C with E{sub d}?=?370?±?10?kJ/mol that is consistent with both the dehydrogenation of surface AlOH species and H{sub 2} assisted sublimation of AlN. Similarly, N{sub 2} exhibited a similar higher temperature desorption peak with E{sub d}?=?535?±?40?kJ/mol that is consistent with the activation energy for direct sublimation of AlN.

  7. Energy conservation in dissipative processes: Teacher expectations and strategies associated with imperceptible thermal energy

    E-Print Network [OSTI]

    Daane, Abigail R; Vokos, Stamatis; Scherr, Rachel E

    2014-01-01T23:59:59.000Z

    Research has demonstrated that many students and some teachers do not consistently apply the conservation of energy principle when analyzing mechanical scenarios. In observing elementary and secondary teachers engaged in learning activities that require tracking and conserving energy, we find that challenges to energy conservation often arise in dissipative scenarios in which kinetic energy transforms into thermal energy (e.g., a ball rolls to a stop). We find that teachers expect that when they can see the motion associated with kinetic energy, they should be able to perceive the warmth associated with thermal energy. Their expectations are violated when the warmth produced is imperceptible. In these cases, teachers reject the idea that the kinetic energy transforms to thermal energy. Our observations suggest that apparent difficulties with energy conservation may have their roots in a strong and productive association between forms of energy and their perceptible indicators. We see teachers resolve these ch...

  8. Kinetic Bounding Volume Hierarchies for Collision Detection of Deformable Objects

    E-Print Network [OSTI]

    Gabriel Zachmann; Rene Weller

    2006-01-01T23:59:59.000Z

    We present novel algorithms for updating bounding volume hierarchies of objects undergoing arbitrary deformations. Therefore, we introduce two new data structures, the kinetic AABB tree and the kinetic BoxTree. The event-based approach of the kinetic data structures framework enables us to show that our algorithms are optimal in the number of updates. Moreover, we show a lower bound for the total number of BV updates, which is independent of the number of frames. Furthermore, we present a kinetic data structures which uses the kinetic AABB tree for collision detection and show that this structure can be easily extended for continuous collision detection of deformable objects. We performed a comparison of our kinetic approaches with the classical bottom-up update method. The results show that our algorithms perform up to ten times faster in practically relevant scenarios.

  9. A New Spin on Neutrino Quantum Kinetics

    E-Print Network [OSTI]

    Vincenzo Cirigliano; George M. Fuller; Alexey Vlasenko

    2015-05-05T23:59:59.000Z

    Recent studies have demonstrated that in anisotropic environments a coherent spin-flip term arises in the Quantum Kinetic Equations (QKEs) which govern the evolution of neutrino flavor and spin in hot and dense media. This term can mediate neutrino-antineutrino transformation for Majorana neutrinos and active-sterile transformation for Dirac neutrinos. We discuss the physical origin of the coherent spin-flip term and provide explicit expressions for the QKEs in a two-flavor model with spherical geometry. In this context, we demonstrate that coherent neutrino spin transformation depends on the absolute neutrino mass and Majorana phases.

  10. Benchmarks for the point kinetics equations

    SciTech Connect (OSTI)

    Ganapol, B. [Department of Aerospace and Mechanical Engineering (United States); Picca, P. [Department of Systems and Industrial Engineering, University of Arizona (United States); Previti, A.; Mostacci, D. [Laboratorio di Montecuccolino Alma Mater Studiorum, Universita di Bologna (Italy)

    2013-07-01T23:59:59.000Z

    A new numerical algorithm is presented for the solution to the point kinetics equations (PKEs), whose accurate solution has been sought for over 60 years. The method couples the simplest of finite difference methods, a backward Euler, with Richardsons extrapolation, also called an acceleration. From this coupling, a series of benchmarks have emerged. These include cases from the literature as well as several new ones. The novelty of this presentation lies in the breadth of reactivity insertions considered, covering both prescribed and feedback reactivities, and the extreme 8- to 9- digit accuracy achievable. The benchmarks presented are to provide guidance to those who wish to develop further numerical improvements. (authors)

  11. 5, 1036910408, 2005 Products and kinetics

    E-Print Network [OSTI]

    Boyer, Edmond

    and Physics Discussions The heterogeneous chemical kinetics of N2O5 on CaCO3 and other atmospheric mineral. At [N2O5]0=(4.0±1.0)×10 11 cm -3 we have found ss values ranging from (3.5±1.1)×10 -2 for CaCO3 to (0 and CaCO3 are lower. On CaCO3 the disappearance10 of N2O5 was also accompanied by the formation of CO2

  12. Studies of combustion kinetics and mechanisms

    SciTech Connect (OSTI)

    Gutman, D. [Catholic Univ. of America, Washington, DC (United States)

    1993-12-01T23:59:59.000Z

    The objective of the current research is to gain new quantitative knowledge of the kinetics and mechanisms of polyatomic free radicals which are important in hydrocarbon combustion processes. The special facility designed and built for these (which includes a heatable tubular reactor coupled to a photoionization mass spectrometer) is continually being improved. Where possible, these experimental studies are coupled with theoretical ones, sometimes conducted in collaboration with others, to obtain an improved understanding of the factors determining reactivity. The decomposition of acetyl radicals, isopropyl radicals, and n-propyl radicals have been studied as well as the oxidation of methylpropargyl radicals.

  13. Picosecond Kinetics of Light Harvesting and Photoprotective Quenching in Wild-Type and Mutant Phycobilisomes Isolated from the

    E-Print Network [OSTI]

    van Stokkum, Ivo

    Picosecond Kinetics of Light Harvesting and Photoprotective Quenching in Wild-Type and Mutant In high light conditions, cyanobacteria dissipate excess absorbed energy as heat in the light-harvesting of water and the release of oxygen. The central parts of these photosystems, i.e., the reaction centers

  14. Chemical Kinetic Modeling of Non-Petroleum Based Fuels

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

    kinetic models for fuel components and their mixtures are a critical need to enable optimization of fuel formulations for high engine efficiency and very low emissions Targets:...

  15. Geothermal: Sponsored by OSTI -- The solubility and kinetics...

    Office of Scientific and Technical Information (OSTI)

    The solubility and kinetics of minerals under CO2-EGS geothermal conditions: Comparison of experimental and modeling results Geothermal Technologies Legacy Collection HelpFAQ |...

  16. air plasma kinetics: Topics by E-print Network

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

    explains the kinetic mechanism of nonequilibrium plasma-chemical transformations in the gas-liquid system and the evolution of hydrogen during the reforming as a function of...

  17. Coupled Kinetic, Thermal, and Mechanical Modeling of FIB Micro...

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

    Publications Intercalation Kinetics and Ion Mobility in Electrode Materials for Advanced Lithium Ion Batteries Materials Characterization Capabilities at the High Temperature...

  18. Chemical Kinetic Modeling of Non-Petroleum Based Fuels

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

    FY11 Objectives: * Develop a chemical kinetic models for an actual components in biodiesel Methyl palmitate Methyl linoleate Methyl linolenate * Develop a chemical...

  19. Kinetics, Mechanics and Microstructure Changes in Storage Media...

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

    the Kinetics, Mechanics and Microstructure Changes in Storage Media given at the DOE Theory Focus Session on Hydrogen Storage Materials on May 18, 2006. storagetheorysessionei...

  20. Thermodynamics of Dark Energy

    E-Print Network [OSTI]

    Neven Bilic

    2010-09-27T23:59:59.000Z

    Thermodynamic properties of dark energy are discussed assuming that dark energy is described in terms of a selfinteracting complex scalar. We first show that, under certain assumptions, selfinteracting complex scalar field theories are equivalent to purely kinetic k-essence models. Then we analyze the themal properties of k-essence and in particular we show that dark-energy in the phantom regime does not necessarily yield negative entropy.

  1. Ion mediated crosslink driven mucous swelling kinetics

    E-Print Network [OSTI]

    S. Sircar; A. J. Roberts

    2015-01-20T23:59:59.000Z

    We present an experimentally guided, multi-phasic, multi-species ionic gel model to compare and make qualitative predictions on the rheology of mucus of healthy individuals (Wild Type) versus those infected with Cystic Fibrosis. The mixture theory consists of the mucus (polymer phase) and water (solvent phase) as well as several different ions: H+, Na+ and Ca++. The model is linearized to study the hydration of spherically symmetric mucus gels and calibrated against the experimental data of mucus diffusivities. Near equilibrium, the linearized form of the equation describing the radial size of the gel, reduces to the well-known expression used in the kinetic theory of swelling hydrogels. Numerical studies reveal that the Donnan potential is the dominating mechanism driving the mucus swelling/deswelling transition. However, the altered swelling kinetics of the Cystic Fibrosis infected mucus is not merely governed by the hydroelectric composition of the swelling media, but also due to the altered movement of electrolytes as well as due to the defective properties of the mucin polymer network.

  2. Non-Markovian polymer reaction kinetics

    E-Print Network [OSTI]

    Thomas Guérin; Olivier Bénichou; Raphaël Voituriez

    2012-09-07T23:59:59.000Z

    Describing the kinetics of polymer reactions, such as the formation of loops and hairpins in nucleic acids or polypeptides, is complicated by the structural dynamics of their chains. Although both intramolecular reactions, such as cyclization, and intermolecular reactions have been studied extensively, both experimentally and theoretically, there is to date no exact explicit analytical treatment of transport-limited polymer reaction kinetics, even in the case of the simplest (Rouse) model of monomers connected by linear springs. We introduce a new analytical approach to calculate the mean reaction time of polymer reactions that encompasses the non-Markovian dynamics of monomer motion. This requires that the conformational statistics of the polymer at the very instant of reaction be determined, which provides, as a by-product, new information on the reaction path. We show that the typical reactive conformation of the polymer is more extended than the equilibrium conformation, which leads to reaction times significantly shorter than predicted by the existing classical Markovian theory.

  3. Thermochemical Kinetics for Multireference Systems: Addition Reactions of Ozone

    SciTech Connect (OSTI)

    Zhao, Yan; Tishchenko, Oksana; Gour, Jeffrey R.; Li, Wei; Lutz, Jesse; Piecuch, Piotr; Truhlar, Donald G.

    2009-05-14T23:59:59.000Z

    The 1,3-dipolar cycloadditions of ozone to ethyne and ethene provide extreme examples of multireference singlet-state chemistry, and they are examined here to test the applicability of several approaches to thermochemical kinetics of systems with large static correlation. Four different multireference diagnostics are applied to measure the multireference characters of the reactants, products, and transition states; all diagnostics indicate significant multireference character in the reactant portion of the potential energy surfaces. We make a more complete estimation of the effect of quadruple excitations than was previously available, and we use this with CCSDT/CBS estimation of Wheeler et al. (Wheeler, S. E.; Ess, D. H.; Houk, K. N. J. Phys. Chem. A 2008, 112, 1798.) to make new best estimates of the van der Waals association energy, the barrier height, and the reaction energy to form the cycloadduct for both reactions. Comparing with these best estimates, we present comprehensive mean unsigned errors for a variety of coupled cluster, multilevel, and density functional methods. Several computational aspects of multireference reactions are considered: (i) the applicability of multilevel theory, (ii) the convergence of coupled cluster theory for reaction barrier heights, (iii) the applicability of completely renormalized coupled cluster methods to multireference systems, (iv) the treatment by density functional theory, (v) the multireference perturbation theory for multireference reactions, and (vi) the relative accuracy of scaling-type multilevel methods as compared with additive ones. It is found that scaling-type multilevel methods do not perform better than the additive-type multilevel methods. Among the 48 tested density functionals, only M05 reproduces the best estimates within their uncertainty. Multireference perturbation theory based on the complete-active-space reference wave functions constructed using a small number of reaction-specific active orbitals gives accurate forward barrier heights; however, it significantly underestimates reaction energies.

  4. U.S. Department of Energy Categorical Exclusion Determination...

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

    Brown University - Marine Hydro-Kinetic Energy Harvesting Using Cyber-Physical Systems Program or Field Office:Advanced Research Projects Agency- Energy (ARPA-E) Location(s) (City...

  5. The solubility and kinetics of minerals under CO2-EGS geothermal conditions: Comparison of experimental and modeling results

    E-Print Network [OSTI]

    Xu, T.

    2014-01-01T23:59:59.000Z

    of rate parameters of water-mineral interaction kinetics forKinetic rate law for mineral dissolution and precipitationwhere n denotes kinetic mineral index, positive values of r

  6. 3. Energy conversion, balances, efficiency, equilibrium

    E-Print Network [OSTI]

    Zevenhoven, Ron

    changes kinetic energy and potential energy of a system, while heat changes internal energy. For gases: potential energy gives heat A steel ball of 0.5 kg is dropped from a height of 60 m. When hitting the ground it becomes embedded; calculate the temperature rise of the ball at the impact. The specific heat

  7. Effects of electron drift on the collisionless damping of kinetic Alfv\\'en waves in the solar wind

    E-Print Network [OSTI]

    Tong, Yuguang; Chen, Christopher H K; Salem, Chadi S; Verscharen, Daniel

    2015-01-01T23:59:59.000Z

    The collisionless dissipation of anisotropic Alfv\\'enic turbulence is a promising candidate to solve the solar wind heating problem. Extensive studies examined the kinetic properties of Alfv\\'en waves in simple Maxwellian or bi-Maxwellian plasmas. However, the observed electron velocity distribution functions in the solar wind are more complex. In this study, we analyze the properties of kinetic Alfv\\'en waves in a plasma with two drifting electron populations. We numerically solve the linearized Maxwell-Vlasov equations and find that the damping rate and the proton-electron energy partition for kinetic Alfv\\'en waves are significantly modified in such plasmas, compared to plasmas without electron drifts. We suggest that electron drift is an important factor to take into account when considering the dissipation of Alfv\\'enic turbulence in the solar wind or other $\\beta \\sim 1$ astrophysical plasmas.

  8. Kinetics of solid-gas reactions characterized by scanning AC nano-calorimetry with application to Zr oxidation

    SciTech Connect (OSTI)

    Xiao, Kechao; Lee, Dongwoo; Vlassak, Joost J., E-mail: vlassak@esag.harvard.edu [School of Engineering and Applied Sciences, Harvard University, 29 Oxford Street, Cambridge, Massachusetts 02138 (United States)

    2014-10-27T23:59:59.000Z

    Scanning AC nano-calorimetry is a recently developed experimental technique capable of measuring the heat capacity of thin-film samples of a material over a wide range of temperatures and heating rates. Here, we describe how this technique can be used to study solid-gas phase reactions by measuring the change in heat capacity of a sample during reaction. We apply this approach to evaluate the oxidation kinetics of thin-film samples of zirconium in air. The results confirm parabolic oxidation kinetics with an activation energy of 0.59?±?0.03 eV. The nano-calorimetry measurements were performed using a device that contains an array of micromachined nano-calorimeter sensors in an architecture designed for combinatorial studies. We demonstrate that the oxidation kinetics can be quantified using a single sample, thus enabling high-throughput mapping of the composition-dependence of the reaction rate.

  9. Kinetics of Methane Hydrate Decomposition Studied via in Situ Low Temperature X-ray Powder Diffraction

    SciTech Connect (OSTI)

    Everett, Susan M [ORNL; Rawn, Claudia J [ORNL; Keffer, David J. [University of Tennessee, Knoxville (UTK); Mull, Derek L [ORNL; Payzant, E Andrew [ORNL; Phelps, Tommy Joe [ORNL

    2013-01-01T23:59:59.000Z

    Gas hydrates are known to have a slowed decomposition rate at ambient pressure and temperatures below the melting point of ice termed self-preservation or anomalous preservation. As hydrate exothermically decomposes, gas is released and water of the clathrate cages transforms into ice. Two regions of slowed decomposition for methane hydrate, 180 200 K and 230 260 K, were observed, and the kinetics were studied by in situ low temperature x-ray powder diffraction. The kinetic constants for ice formation from methane hydrate were determined by the Avrami model within each region and activation energies, Ea, were determined by the Arrhenius plot. Ea determined from the data for 180 200 K was 42 kJ/mol and for 230 260 K was 22 kJ/mol. The higher Ea in the colder temperature range was attributed to a difference in the microstructure of ice between the two regions.

  10. AER1301: KINETIC THEORY OF GASES Assignment #4

    E-Print Network [OSTI]

    Groth, Clinton P. T.

    AER1301: KINETIC THEORY OF GASES Assignment #4 1. Consider a monatomic gas with one translational by the relaxation time approx- imation. Neglecting external forces, the conserved form of the kinetic equation function, in both the equilibrium and non- equilibrium cases, up to second order. (b) Derive an expression

  11. Nano Research Kinetics of Molecular Recognition Mediated Nanoparticle

    E-Print Network [OSTI]

    Nano Research Kinetics of Molecular Recognition Mediated Nanoparticle Self-Assembly Chinmay Soman1 is an important phenomenon in many biological systems. Assembly of virus coat proteins into capsids [1 diseases. This approach to studying the kinetics of nanoparticle self-assembly may also provide a valuable

  12. Parametric and Kinetic Minimum Spanning Trees Pankaj K. Agarwal 1

    E-Print Network [OSTI]

    Eppstein, David

    Parametric and Kinetic Minimum Spanning Trees Pankaj K. Agarwal 1 David Eppstein 2 Leonidas J. Guibas 3 Monika R. Henzinger 4 Abstract We consider the parametric minimum spanning tree problem- pute the sequence of minimum spanning trees generated as varies. We also consider the kinetic minimum

  13. Desorption Kinetics for Field-Aged Polycyclic Aromatic Hydrocarbons

    E-Print Network [OSTI]

    Rockne, Karl J.

    Harbor Estuary. Desorption kinetics for PAHs with a log octanol- water partition coefficient greater than This study considers desorption kinetics for 12 field-aged polycyclic aromatic hydrocarbons (PAHs) desorbing 6 were well- described by a one-domain diffusion model that assumes that PAHs are initially

  14. Kinetic study of hydrogen sulfide absorption in aqueous chlorine solution

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    rate. To design, optimize and scale-up scrubbers, knowledge of the reaction kinetics and mechanism-1 s-1 ). Keywords Hydrogen sulfide, chlorine, kinetics, mass transfer, absorption, scrubber located at the bottom of the scrubber and is recirculated. pH and chlorine concentration are regulated

  15. The DNA binding activity of p53 displays reactiondiffusion kinetics

    E-Print Network [OSTI]

    Hinow, Peter

    The DNA binding activity of p53 displays reaction­diffusion kinetics 26th Southeastern 37240 The DNA binding activity of p53 displays reaction­diffusion kinetics ­ p. 1/2 #12;Collaborators, Vanderbilt University · Emmanuele DiBenedetto, PhD, Department of Mathematics, Vanderbilt University The DNA

  16. Detailed chemical kinetic oxidation mechanism for a biodiesel Olivier Herbineta

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate Olivier Herbineta , William of methyl decanoate, a surrogate for biodiesel fuels. This model has been built by following the rules and biodiesel fuels to predict overall reactivity, but some kinetic details, including early CO2 production from

  17. Kinetic Gravity Braiding and axion inflation

    E-Print Network [OSTI]

    Debaprasad Maity

    2013-03-11T23:59:59.000Z

    We constructed a new class of inflationary model with the higher derivative axion field which obeys constant shift symmetry. In the usual axion (natural) inflation, the axion decay constant is predicted to be in the super-Planckian regime which is believed to be incompatible with an effective field theory framework. With a novel mechanism originating from a higher derivative kinetic gravity braiding (KGB) of an axion field we found that there exist a huge parameter regime in our model where axion decay constant could be naturally sub-Planckian. Thanks to the KGB which effectively reduces the Planck constant. This effectively reduced Planck scale provides us the mechanism of further lowering down the speed of an axion field rolling down its potential without introducing super-Planckian axion decay constant. We also find that with that wide range of parameter values, our model induces almost scale invariant power spectrum as observed in CMB experiments.

  18. Spectroscopy, Kinetics, and Dynamics of Combustion Radicals

    SciTech Connect (OSTI)

    Nesbitt, David J. [Research/Professor

    2013-08-06T23:59:59.000Z

    Spectroscopy, kinetics and dynamics of jet cooled hydrocarbon transients relevant to the DOE combustion mission have been explored, exploiting i) high resolution IR lasers, ii) slit discharge sources for formation of jet cooled radicals, and iii) high sensitivity detection with direct laser absorption methods and near the quantum shot noise limit. What makes this combination powerful is that such transients can be made under high concentrations and pressures characteristic of actual combustion conditions, and yet with the resulting species rapidly cooled (T ?10-15K) in the slit supersonic expansion. Combined with the power of IR laser absorption methods, this provides novel access to spectral detection and study of many critical combustion species.

  19. A Kinetic Theory Approach to Quantum Gravity

    E-Print Network [OSTI]

    B. L. Hu

    2002-04-22T23:59:59.000Z

    We describe a kinetic theory approach to quantum gravity -- by which we mean a theory of the microscopic structure of spacetime, not a theory obtained by quantizing general relativity. A figurative conception of this program is like building a ladder with two knotted poles: quantum matter field on the right and spacetime on the left. Each rung connecting the corresponding knots represent a distinct level of structure. The lowest rung is hydrodynamics and general relativity; the next rung is semiclassical gravity, with the expectation value of quantum fields acting as source in the semiclassical Einstein equation. We recall how ideas from the statistical mechanics of interacting quantum fields helped us identify the existence of noise in the matter field and its effect on metric fluctuations, leading to the establishment of the third rung: stochastic gravity, described by the Einstein-Langevin equation. Our pathway from stochastic to quantum gravity is via the correlation hierarchy of noise and induced metric fluctuations. Three essential tasks beckon: 1) Deduce the correlations of metric fluctuations from correlation noise in the matter field; 2) Reconstituting quantum coherence -- this is the reverse of decoherence -- from these correlation functions 3) Use the Boltzmann-Langevin equations to identify distinct collective variables depicting recognizable metastable structures in the kinetic and hydrodynamic regimes of quantum matter fields and how they demand of their corresponding spacetime counterparts. This will give us a hierarchy of generalized stochastic equations -- call them the Boltzmann-Einstein hierarchy of quantum gravity -- for each level of spacetime structure, from the macroscopic (general relativity) through the mesoscopic (stochastic gravity) to the microscopic (quantum gravity).

  20. Gravitationally Induced Particle Production: Thermodynamics and Kinetic Theory

    E-Print Network [OSTI]

    J. A. S. Lima; I. P. Baranov

    2014-11-24T23:59:59.000Z

    A relativistic kinetic description for the irreversible thermodynamic process of gravitationally induced particle production is proposed in the context of an expanding Friedmann-Robertson-Walker (FRW) geometry. We show that the covariant thermodynamic treatment referred to as "adiabatic" particle production provoked by the cosmic time-varying gravitational field has a consistent kinetic counterpart. The variation of the distribution function is associated to a non-collisional kinetic term of quantum-gravitational origin which is proportional to the ratio $\\Gamma/H$, where $\\Gamma$ is the gravitational particle production rate and H is the Hubble parameter. For $\\Gamma production process. The macroscopic temperature evolution law is also kinetically derived for massive and massless particles. The present approach points to the possibility of an exact (semi-classical) quantum-gravitational kinetic treatment by incorporating back-reaction effects in the cosmic background.

  1. Geometric dynamics of Vlasov kinetic theory and its moments

    E-Print Network [OSTI]

    Tronci, Cesare

    2008-01-01T23:59:59.000Z

    The Vlasov equation of kinetic theory is introduced and the Hamiltonian structure of its moments is presented. Then we focus on the geodesic evolution of the Vlasov moments. As a first step, these moment equations generalize the Camassa-Holm equation to its multi-component version. Subsequently, adding electrostatic forces to the geodesic moment equations relates them to the Benney equations and to the equations for beam dynamics in particle accelerators. Next, we develop a kinetic theory for self assembly in nano-particles. Darcy's law is introduced as a general principle for aggregation dynamics in friction dominated systems (at different scales). Then, a kinetic equation is introduced for the dissipative motion of isotropic nano-particles. The zeroth-moment dynamics of this equation recovers the classical Darcy's law at the macroscopic level. A kinetic-theory description for oriented nano-particles is also presented. At the macroscopic level, the zeroth moments of this kinetic equation recover the magnetiz...

  2. Ginzburg-Landau theory of the bcc-liquid interface kinetic coefficient

    E-Print Network [OSTI]

    Kuo-An Wu; Ching-Hao Wang; Jeffrey J. Hoyt; Alain Karma

    2014-10-25T23:59:59.000Z

    We extend the Ginzburg-Landau (GL) theory of atomically rough bcc-liquid interfaces [Wu {\\it et al.}, Phys. Rev. B \\textbf{73}, 094101 (2006)] outside of equilibrium. We use this extension to derive an analytical expression for the kinetic coefficient, which is the proportionality constant $\\mu(\\hat n)$ between the interface velocity along a direction $\\hat n$ normal to the interface and the interface undercooling. The kinetic coefficient is expressed as a spatial integral along the normal direction of a sum of gradient square terms corresponding to different nonlinear density wave profiles. Anisotropy arises naturally from the dependence of those profiles on the angles between the principal reciprocal lattice vectors $\\vec K_i$ and $\\hat n$. Values of the kinetic coefficient for the$(100)$, $(110)$ and $(111)$ interfaces are compared quantitatively to the prediction of linear Mikheev-Chernov (MC) theory [J. Cryst. Growth \\textbf{112}, 591 (1991)] and previous molecular dynamics (MD) simulation studies of crystallization kinetics for a classical model of Fe. Additional MD simulations are carried out here to compute the relaxation time of density waves in the liquid in order to make this comparison free of fit parameter. The GL theory predicts a similar expression for $\\mu$ as the MC theory but yields a better agreement with MD simulations for both its magnitude and anisotropy due to a fully nonlinear description of density wave profiles across the solid-liquid interface. GL theory is also used to derive an inverse relation between $\\mu$ and the solid-liquid interfacial free-energy. The general methodology used here to derive an expression for $\\mu(\\hat n)$ also applies to amplitude equations derived from the phase-field-crystal model, which only differ from GL theory by the choice of cubic and higher order nonlinearities in the free-energy density.

  3. The Kinetic Engineering of Autonomous DNA-Based Robots and Computing

    E-Print Network [OSTI]

    Reif, John H.

    of gene expression · autonomous universal computers. #12;"Autonomous Kinetic Engineering" of IrreversibleThe Kinetic Engineering of Autonomous DNA-Based Robots and Computing Machines John H. Reif Kinetic Engineering" techniques in: · recombinant DNA, · nano-engineering, and · molecular computing

  4. A Kinetic-Fluid Model C. Z. Cheng and Jay R. Johnson

    E-Print Network [OSTI]

    A Kinetic-Fluid Model C. Z. Cheng and Jay R. Johnson Princeton University, Plasma Physics developed a kinetic-MHD model [Cheng, 1991] to study particle kinetic eects on MHD phenomena by taking

  5. A KineticFluid Model C. Z. Cheng and Jay R. Johnson

    E-Print Network [OSTI]

    A Kinetic­Fluid Model C. Z. Cheng and Jay R. Johnson Princeton University, Plasma Physics have previously developed a kinetic­MHD model [Cheng, 1991] to study particle kinetic effects on MHD

  6. Morphology and non-isothermal crystallization kinetics of CuInS{sub 2} nanocrystals synthesized by solvo-thermal method

    SciTech Connect (OSTI)

    Majeed Khan, M.A., E-mail: majeed_phys@yahoo.co.in [King Abdullah Institute for Nanotechnology, King Saud University, Riyadh 11451 (Saudi Arabia); Kumar, Sushil [Department of Physics, Chaudhary Devi Lal University, Sirsa 125055 (India); Alsalhi, M.S. [King Abdullah Institute for Nanotechnology, King Saud University, Riyadh 11451 (Saudi Arabia); Department of Physics and Astronomy, King Saud University, Riyadh 11451 (Saudi Arabia); Ahamed, Maqusood [King Abdullah Institute for Nanotechnology, King Saud University, Riyadh 11451 (Saudi Arabia); Alhoshan, Mansour [King Abdullah Institute for Nanotechnology, King Saud University, Riyadh 11451 (Saudi Arabia); Chemical Engineering Department, King Saud University, Riyadh 11451 (Saudi Arabia); Alrokayan, Salman A. [King Abdullah Institute for Nanotechnology, King Saud University, Riyadh 11451 (Saudi Arabia); Ahamad, Tansir [Department of Chemistry, King Saud University, Riyadh 11451 (Saudi Arabia)

    2012-03-15T23:59:59.000Z

    Nanocrystals of copper indium disulphide (CuInS{sub 2}) were synthesized by a solvo-thermal method. The structure, morphology and non-isothermal crystallization kinetic behavior of samples were investigated using X-ray diffraction, field emission scanning electron microscopy, field emission transmission electron microscopy, thermogravimetric analysis and differential thermal analysis techniques. Non-isothermal measurements at different heating rates were carried out and the crystallization kinetics of samples were analyzed using the most reliable non-isothermal kinetic methods. The kinetic parameters such as glass transition temperature, thermal stability, activation energy, Avrami exponent etc. were evaluated. - Highlights: Black-Right-Pointing-Pointer CuInS{sub 2} nanocrystals have scientific and technological importance. Black-Right-Pointing-Pointer Samples have been prepared by solvo-thermal method. Black-Right-Pointing-Pointer Synthesized samples exhibit excellent morphology and thermal properties. Black-Right-Pointing-Pointer Investigated properties may be utilized in design and fabrication of solar cell devices.

  7. Surface kinetic model for isotopic and trace element fractionation during precipitation of calcite from aqueous solution

    E-Print Network [OSTI]

    DePaolo, D.

    2011-01-01T23:59:59.000Z

    form of the kinetic  r ate expression (e.g.  equations 2); in  these  expressions  are  the  two  kinetic  isotopic 

  8. E-Print Network 3.0 - accelerated search kinetics Sample Search...

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

    dependence of the elongation kinetics. Marked acceleration... to the slowing of protein folding kinetics by other denaturants (28) and the acceleration of folding by TFE (26......

  9. Effect of Grain Size on Uranium(VI) Surface Complexation Kinetics...

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

    Grain Size on Uranium(VI) Surface Complexation Kinetics and Adsorption Additivity. Effect of Grain Size on Uranium(VI) Surface Complexation Kinetics and Adsorption Additivity....

  10. Tidal Energy Research

    SciTech Connect (OSTI)

    Stelzenmuller, Nickolas [Univ of Washington; Aliseda, Alberto [Univ of Washington; Palodichuk, Michael [Univ of Washington; Polagye, Brian [Univ of Washington; Thomson, James [Univ of Washington; Chime, Arshiya [Univ of Washington; Malte, Philip [Univ of washington

    2014-03-31T23:59:59.000Z

    This technical report contains results on the following topics: 1) Testing and analysis of sub-scale hydro-kinetic turbines in a flume, including the design and fabrication of the instrumented turbines. 2) Field measurements and analysis of the tidal energy resource and at a site in northern Puget Sound, that is being examined for turbine installation. 3) Conceptual design and performance analysis of hydro-kinetic turbines operating at high blockage ratio, for use for power generation and flow control in open channel flows.

  11. Drift kinetic effects on the resistive wall mode stability-Comparison between reversed field pinches and tokamaks

    SciTech Connect (OSTI)

    Wang, Z. R.; Guo, S. C. [Consorzio RFX, Associazione Euratom ENEA sulla fusione, Corso Stati Uniti 4, Padova 35127 (Italy); Liu, Y. Q. [Euratom/CCFE Fusion Association, Culham Science Centre, Abingdon, Oxon OX14 3DB (United Kingdom)

    2012-07-15T23:59:59.000Z

    The physics of kinetic effects on the resistive wall mode (RWM) stability is studied, and a comparison between reversed field pinch (RFP) and Tokamak configurations is made. The toroidal, magnetohydrodynamic (MHD)-kinetic hybrid stability code MARS-K, in which the drift kinetic effects are self-consistently incorporated into the MHD formulation, is upgraded with an extensive energy analysis module. In the tokamak configuration, the kinetic effect can stabilize the mode with very slow, or vanishing plasma rotation, due to the mode resonance with the toroidal precession drift of thermal trapped particles. In RFP, instead, stabilization of the RWM comes mainly from the ion acoustic Landau damping (i.e., the transit resonance of passing particles). In the high beta region, the critical flow rotation frequency required for the mode stabilization is predicted to be in the ion acoustic range. Detailed physical analyses, based on the perturbed potential energy components, have been performed to gain understanding of the stabilizing mechanism in the two different systems.

  12. Evidence of critical balance in kinetic Alfven wave turbulence simulations

    SciTech Connect (OSTI)

    TenBarge, J. M.; Howes, G. G. [Department of Physics and Astronomy, University of Iowa, Iowa City, Iowa 52242 (United States)

    2012-05-15T23:59:59.000Z

    A numerical simulation of kinetic plasma turbulence is performed to assess the applicability of critical balance to kinetic, dissipation scale turbulence. The analysis is performed in the frequency domain to obviate complications inherent in performing a local analysis of turbulence. A theoretical model of dissipation scale critical balance is constructed and compared to simulation results, and excellent agreement is found. This result constitutes the first evidence of critical balance in a kinetic turbulence simulation and provides evidence of an anisotropic turbulence cascade extending into the dissipation range. We also perform an Eulerian frequency analysis of the simulation data and compare it to the results of a previous study of magnetohydrodynamic turbulence simulations.

  13. Kinetics of the reactions of hydrogen fluoride with calcium oxide

    SciTech Connect (OSTI)

    Kossaya, A.M.; Belyakov, B.P.; Kuchma, Z.V.; Sandrozd, M.K.; Vasil'eva, V.G.

    1986-08-01T23:59:59.000Z

    This paper studies the kinetics of interaction of gaseous hydrogen fluoride with calcium oxide at temperatures 300-700 degrees. The experiments were conducted in a laboratory adsorption apparatus modified and adapted for work with corrosive hydrogen fluoride. Calcium oxide samples in granulated form and deposited on gamma-alumina were used in the experiments. Kinetic curves representing variations of the degree of conversion of the solid samples with time are shown. The influence of retardation dure to diffusion was observed in the experiments. The influence of diffusion control on the reaction rate was also observed in a study of the reaction kinetics on supported layers of calcium oxide.

  14. Kinetic equilibria of relativistic collisionless plasmas in the presence of non-stationary electromagnetic fields

    SciTech Connect (OSTI)

    Cremaschini, Claudio, E-mail: claudiocremaschini@gmail.com; Stuchlík, Zden?k [Faculty of Philosophy and Science, Institute of Physics, Silesian University in Opava, Bezru?ovo nám.13, CZ-74601 Opava (Czech Republic)] [Faculty of Philosophy and Science, Institute of Physics, Silesian University in Opava, Bezru?ovo nám.13, CZ-74601 Opava (Czech Republic); Tessarotto, Massimo [Faculty of Philosophy and Science, Institute of Physics, Silesian University in Opava, Bezru?ovo nám.13, CZ-74601 Opava (Czech Republic) [Faculty of Philosophy and Science, Institute of Physics, Silesian University in Opava, Bezru?ovo nám.13, CZ-74601 Opava (Czech Republic); Department of Mathematics and Geosciences, University of Trieste, Via Valerio 12, 34127 Trieste (Italy)

    2014-03-15T23:59:59.000Z

    The kinetic description of relativistic plasmas in the presence of time-varying and spatially non-uniform electromagnetic (EM) fields is a fundamental theoretical issue both in astrophysics and plasma physics. This refers, in particular, to the treatment of collisionless and strongly-magnetized plasmas in the presence of intense radiation sources. In this paper, the problem is investigated in the framework of a covariant gyrokinetic treatment for Vlasov–Maxwell equilibria. The existence of a new class of kinetic equilibria is pointed out, which occur for spatially-symmetric systems. These equilibria are shown to exist in the presence of non-uniform background EM fields and curved space-time. In the non-relativistic limit, this feature permits the determination of kinetic equilibria even for plasmas in which particle energy is not conserved due to the occurrence of explicitly time-dependent EM fields. Finally, absolute stability criteria are established which apply in the case of infinitesimal symmetric perturbations that can be either externally or internally produced.

  15. Using Simulations and kinetic network models to reveal the dynamics and functions of Riboswitches

    E-Print Network [OSTI]

    Jong-Chin Lin; Jeseong Yoon; Changbong Hyeon; D. Thirumalai

    2014-10-02T23:59:59.000Z

    Riboswitches, RNA elements found in the untranslated region, regulate gene expression by binding to target metaboloites with exquisite specificity. Binding of metabolites to the conserved aptamer domain allosterically alters the conformation in the downstream expression platform. The fate of gene expression is determined by the changes in the downstream RNA sequence. As the metabolite-dependent cotranscriptional folding and unfolding dynamics of riboswitches is the key determinant of gene expression, it is important to investigate both the thermodynamics and kinetics of riboswitches both in the presence and absence of metabolite. Single molecule force experiments that decipher the free energy landscape of riboswitches from their mechanical responses, theoretical and computational studies have recently shed light on the distinct mechanism of folding dynamics in different classes of riboswitches. Here we first discuss the dynamics of water around riboswitch, highlighting that water dynamics can enhance the fluctuation of nucleic acid structure. To go beyond native state fluctuations we used the Self-Organized Polymer (SOP) model to predict the dynamics of add adenine riboswitch under mechanical forces. In addition to quantitatively predicting the folding landscape of add-riboswitch our simulations also explain the difference in the dynamics between pbuE adenine- and add adenine-riboswitches. In order to probe the function {\\it in vivo} we use the folding landscape to propose a system level kinetic network model to quantitatively predict how gene expression is regulated for riboswitches that are under kinetic control.

  16. Kinetic and mechanistic studies of free-radical reactions in combustion

    SciTech Connect (OSTI)

    Tully, F.P. [Sandia National Laboratories, Livermore, CA (United States)

    1993-12-01T23:59:59.000Z

    Combustion is driven by energy-releasing chemical reactions. Free radicals that participate in chain reactions carry the combustion process from reactants to products. Research in chemical kinetics enables us to understand the microscopic mechanisms involved in individual chemical reactions as well as to determine the rates at which they proceed. Both types of information are required for an understanding of how flames burn, why engines knock, how to minimize the production of pollutants, and many other important questions in combustion. In this program the authors emphasize accurate measurements over wide temperature ranges of the rates at which ubiquitous free radicals react with stable molecules. The authors investigate a variety of OH, CN, and CH + stable molecule reactions important to fuel conversion, emphasizing application of the extraordinarily precise technique of laser photolysis/continuous-wave laser-induced fluorescence (LP/cwLIF). This precision enables kinetic measurements to serve as mechanistic probes. Since considerable effort is required to study each individual reaction, prudent selection is critical. Two factors encourage selection of a specific reaction: (1) the rates and mechanisms of the subject reaction are required input to a combustion model; and (2) the reaction is a chemical prototype which, upon characterization, will provide fundamental insight into chemical reactivity, facilitate estimation of kinetic parameters for similar reactions, and constrain and test the computational limits of reaction-rate theory. Most studies performed in this project satisfy both conditions.

  17. Kinetics of coal pyrolysis and devolatilization

    SciTech Connect (OSTI)

    Not Available

    1986-01-01T23:59:59.000Z

    Research continued on coal devolatilization. Results are presented for rapid devolatilization experiments performed with the 20 -- 30 micron size cut of the reference coal - PSOC 1451D - a high volatile bituminous, Appalachian Province coal. In agreement with behavior observed in rapid, radiant transient heating experiments -flash lamp - and moderate heating rate - heated grid - experiments for the same coal, the devolatilization process is observed to occur in four distinct phases: intraparticle heavy hydrocarbon detachment and transport; heavy hydrocarbon desorption; low temperature reformation reactions producing light gases; high temperature secondary reactions of tars and char degassing. Mass fraction yields light fast yields and tar and char characteristics are presented for a range of reactor temperatures which support the phenomenological picture. A phenomenological model is presented which indicates the distinct phases of devolatilization and the importance of heat transfer conditions on both the overall rate of particle mass loss and the observable volatiles product distribution. The approach taken to model heat transfer conditions in each of the devolatilization reactors employed in the overall investigation is outlined. Predicted weight loss results are shown for three different sets of overall devolatilization kinetic parameters given heat transfer conditions in the UTRC Hot Wall - Hot Gas reactor. 47 figs., 1 tab.

  18. Estimating the kinetic luminosity function of jets from Galactic X-ray binaries

    E-Print Network [OSTI]

    S. Heinz; H. -J. Grimm

    2005-08-11T23:59:59.000Z

    By combining the recently derived X-ray luminosity function for Galactic X-ray binaries (XRBs) by Grimm et al. (2002) and the radio-X-ray-mass relation of accreting black holes found by Merloni et al. (2003), we derive predictions for the radio luminosity function and radio flux distribution (logN/logS) for XRBs. Based on the interpretation that the radio-X-ray-mass relation is an expression of an underlying relation between jet power and nuclear radio luminosity, we derive the kinetic luminosity function for Galactic black hole jets, up to a normalization constant in jet power. We present estimates for this constant on the basis of known ratios of jet power to core flux for AGN jets and available limits for individual XRBs. We find that, if XRB jets do indeed fall on the same radio flux--kinetic power relation as AGN jets, the estimated mean kinetic luminosity of typical low/hard state jets is of the order of ~ 2x10^37 ergs/s, with a total integrated power output of W \\~ 5.5x10^38 ergs/s. We find that the power carried in transient jets should be of comparable magnitude to that carried in low/hard state jets. Including neutron star systems increases this estimate to W ~ 9x10^38 ergs/s. We estimate the total kinetic energy output from low/hard state jets over the history of the Galaxy to be E_{XRB} ~ 7x10^56 ergs.

  19. ORIGINAL PAPER Aragonite Kinetics in Dilute Solutions

    E-Print Network [OSTI]

    Grossman, Ethan L.

    ), geothermal energy production (Arnorsson 1979; Amjad 1987), and waste treatment (Reddy 1978). More recently. From these data, an Arrhenius activation energy of 71.2 kJ mol-1 is cal- culated for the heterogeneous Department of Oceanography, Texas A&M University, College Station, TX 77843, USA E. L. Grossman Department

  20. Energy of the quasi-free electron in argon, krypton and xenon Xianbo Shi a,b

    E-Print Network [OSTI]

    Findley, Gary L.

    Energy of the quasi-free electron in argon, krypton and xenon Xianbo Shi a,b , Luxi Li a,b , C. M ionization of the dopant, and (iii) the kinetic energy of the quasi-free electron. The polarization terms are determined by a standard statistical mechanical treatment. However, the kinetic energy of the quasi-free

  1. Ameren Energy Marketing (Illinois) | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are being directedAnnual Siteof Energy 2,AUDITCaliforniaWeifangwikiAgouraAlbatechFuels JumpKineticsAmdaAmeren

  2. THERMOSTATICS AND KINETICS OF TRANSFORMATIONS IN PU-BASED ALLOYS

    SciTech Connect (OSTI)

    Turchi, P; Kaufman, L; Liu, Z

    2006-06-30T23:59:59.000Z

    CALPHAD assessment of the thermodynamic properties of a series of Pu-based alloys is briefly presented together with some results on the kinetics of phase formation and transformations in Pu-Ga alloys.

  3. The Icarus Machine : a kinetic sculpture that demonstrates gyroscopic precision

    E-Print Network [OSTI]

    Nichols, Laura E

    2005-01-01T23:59:59.000Z

    Inspired by the desire to unite aspects of art and engineering into a comprehensive whole, I have designed and manufactured a kinetic sculpture that demonstrates gyroscopic precession. The aim of this project is to explore ...

  4. Kinetic studies of isoprene reactions with hydroxyl and chlorine radicals

    E-Print Network [OSTI]

    Suh, Inseon

    2000-01-01T23:59:59.000Z

    Kinetic studies of the isoprene oxidation reactions initiated by the hydroxyl radical OH and the chlorine atom Cl have been investigated using a fast-flow reactor in conjunction with chemical ionization mass spectrometry (CIMS) and using laser...

  5. Mechanistic kinetic modeling of the hydrocracking of complex feedstocks

    E-Print Network [OSTI]

    Kumar, Hans

    2009-05-15T23:59:59.000Z

    Two separate mechanistic kinetic models have been developed for the hydrocracking of complex feedstocks. The first model is targeted for the hydrocracking of vacuum gas oil. The second one addresses specifically the hydrocracking of long...

  6. Topobo : a 3-D constructive assembly system with kinetic memory

    E-Print Network [OSTI]

    Raffle, Hayes Solos, 1974-

    2004-01-01T23:59:59.000Z

    We introduce Topobo, a 3-D constructive assembly system em- bedded with kinetic memory, the ability to record and playback physical motion. Unique among modeling systems is Topobo's coincident physical input and output ...

  7. Phase IV Simulant Testing of Monosodium Titanate Adsorption Kinetics

    SciTech Connect (OSTI)

    Hobbs, D.T.

    1999-09-29T23:59:59.000Z

    The Salt Disposition Systems Engineering Team identified the adsorption kinetics of actinides and strontium onto monosodium titanate (MST) as a technical risk in several of the processing alternatives selected for additional evaluation in Phase III of their effort.

  8. NIST Standard Reference Database 17 NIST Chemical Kinetics Database

    E-Print Network [OSTI]

    NIST Standard Reference Database 17 __________________________________________________________ NIST Chemical Kinetics Database WindowsTM Version 2Q98 Users' Guide (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data

  9. astrophysical systems kinetic: Topics by E-print Network

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

    9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 Next Page Last Page Topic Index 1 Thermonuclear Kinetics in Astrophysics CERN Preprints Summary: Over the billions of years since...

  10. Kinetics and Solvent Effects in the Synthesis of Ionic Liquids

    E-Print Network [OSTI]

    Schleicher, Jay C.

    2007-12-12T23:59:59.000Z

    Ionic liquids (ILs) are being recognized as environmentally friendly ("green") solvents. However, their synthesis is often conducted in the very solvents that they will reportedly replace. This research has investigated the kinetics and solvent...

  11. Kinetic and Performance Studies of the Regeneration Phase of...

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

    Studies of the Regeneration Phase of Model PtRhBa NOx Traps for Design and Optimization Kinetic and Performance Studies of the Regeneration Phase of Model PtRhBa NOx...

  12. Kinetic modeling and automated optimization in microreactor systems

    E-Print Network [OSTI]

    Moore, Jason Stuart

    2013-01-01T23:59:59.000Z

    The optimization, kinetic investigation, or scale-up of a reaction often requires significant time and materials. Silicon microreactor systems have been shown advantageous for studying chemical reactions due to their small ...

  13. ccsd00001476, NEGATIVE ENERGIES AND TIME REVERSAL

    E-Print Network [OSTI]

    kinetic energy, so-called phantom #12;elds, have recently been proposed [1] [2] [3] as new sources leadingccsd­00001476, version 6 ­ 31 Mar 2005 NEGATIVE ENERGIES AND TIME REVERSAL IN QUANTUM FIELD THEORY The theoretical and phenomenological status of negative energies is reviewed in Quantum Field Theory leading

  14. Transverse Energy production in Ultrarelativistic Heavy Ion Collisions

    E-Print Network [OSTI]

    Bin Zhang; Yang Pang; Miklos Gyulassy

    1997-08-28T23:59:59.000Z

    Kinetic theory is used to check the applicability of parton cascade in 1 dimensional expansion. Using the information provided by 3 dimensional parton cascade, we model the transverse expansion by an effective area. With this model, kinetic theory is able to give prediction of the time development of transverse energy which is in good agreement with the parton cascade results.

  15. Theory of semicollisional kinetic Alfven modes in sheared magnetic fields

    SciTech Connect (OSTI)

    Hahm, T.S.; Chen, L.

    1985-02-01T23:59:59.000Z

    The spectra of the semicollisional kinetic Alfven modes in a sheared slab geometry are investigated, including the effects of finite ion Larmor radius and diamagnetic drift frequencies. The eigenfrequencies of the damped modes are derived analytically via asymptotic analyses. In particular, as one reduces the resistivity, we find that, due to finite ion Larmor radius effects, the damped mode frequencies asymptotically approach finite real values corresponding to the end points of the kinetic Alfven continuum.

  16. Single event kinetic modeling of the hydrocracking of paraffins

    E-Print Network [OSTI]

    Kumar, Hans

    2004-11-15T23:59:59.000Z

    of MASTER OF SCIENCE August 2004 Major Subject: Chemical Engineering SINGLE EVENT KINETIC MODELING OF THE HYDROCRACKING OF PARAFFINS A Thesis by HANS KUMAR Submitted to Texas A&M University...) Kenneth R. Hall (Head of Department) August 2004 Major Subject: Chemical Engineering iii ABSTRACT Single Event Kinetic Modeling of the Hydrocracking of Paraffins. (August 2004) Hans Kumar, B.E., University of Roorkee, India Chair...

  17. A unified theory on electro-kinetic extraction of contaminants

    E-Print Network [OSTI]

    Datla, Subbaraju

    1994-01-01T23:59:59.000Z

    of contaminants from fine-grained soils. Here, the experimental and the theoretical studies conducted to date are reviewed briefly 2. 3. 1. Experimental Studies The technique of electro-kinetic extraction of salts from alkaline soils was investigated by Puri...A VNIFIED THEORY ON ELECTRO-KINETIC EXTRACTION OF CONTAMINANTS A Thesis by SUBBARAJU DATLA Submitted to the Office of Graduate Studies of Texas A&M University in partial fulfillment of the requirements for the degree of MASTER OF SCIENCE...

  18. Kinetics of Mercury(II) Adsorption and Desorption on Soil

    E-Print Network [OSTI]

    Sparks, Donald L.

    Kinetics of Mercury(II) Adsorption and Desorption on Soil Y U J U N Y I N , H E R B E R T E . A L L of Delaware, Newark, Delaware 19716 D O N A L D L . S P A R K S Department of Plant and Soil Sciences kinetics of Hg(II) on four soils at pH 6 were investigated to discern the mechanisms controlling

  19. HCCI in a CFR engine: experiments and detailed kinetic modeling

    SciTech Connect (OSTI)

    Flowers, D; Aceves, S; Smith, R; Torres, J; Girard, J; Dibble, R

    1999-11-05T23:59:59.000Z

    Single cylinder engine experiments and chemical kinetic modeling have been performed to study the effect of variations in fuel, equivalence ratio, and intake charge temperature on the start of combustion and the heat release rate. Neat propane and a fuel blend of 15% dimethyl-ether in methane have been studied. The results demonstrate the role of these parameters on the start of combustion, efficiency, imep, and emissions. Single zone kinetic modeling results show the trends consistent with the experimental results.

  20. Consistent description of kinetics and hydrodynamics of dusty plasma

    SciTech Connect (OSTI)

    Markiv, B. [Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii St., 79011 Lviv (Ukraine)] [Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii St., 79011 Lviv (Ukraine); Tokarchuk, M. [Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii St., 79011 Lviv (Ukraine) [Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii St., 79011 Lviv (Ukraine); National University “Lviv Polytechnic,” 12 Bandera St., 79013 Lviv (Ukraine)

    2014-02-15T23:59:59.000Z

    A consistent statistical description of kinetics and hydrodynamics of dusty plasma is proposed based on the Zubarev nonequilibrium statistical operator method. For the case of partial dynamics, the nonequilibrium statistical operator and the generalized transport equations for a consistent description of kinetics of dust particles and hydrodynamics of electrons, ions, and neutral atoms are obtained. In the approximation of weakly nonequilibrium process, a spectrum of collective excitations of dusty plasma is investigated in the hydrodynamic limit.

  1. Precipitation kinetics in ultra-high lime softening 

    E-Print Network [OSTI]

    Peacock, Edward Dale

    1986-01-01T23:59:59.000Z

    PRECIPITATION KINETICS IN ULTRA-HIGH LIME SOFTENING A Thesis EDWARD DALE PEACOCK Submitted to the Graduate College of Texas ABM University in partial fulfillment of the requirements for the degree of MASTER OF SCIENCE August l986 Major... Subject: Civil Engineering PRECIPITATION KINETICS IN ULTRA-HIGH LIME SOFTENING A Thesis by EDWARD DALE PEACOCK Approved as to style and content by: Bill Batchelor (Chair of Commi e) T D. eynol s (Member) Michael T. Lo necker (Member) Donald Mc...

  2. Localization of linear kinetic Alfvén wave in an inhomogeneous plasma and generation of turbulence

    SciTech Connect (OSTI)

    Sharma, R. P.; Goyal, R., E-mail: ravig.iitd@gmail.com [Centre for Energy Studies, Indian Institute of Technology, Delhi-110016 (India); Scime, Earl E. [Department of Physics, West Virginia University, Morgantown, West Virginia 26506-6315 (United States)] [Department of Physics, West Virginia University, Morgantown, West Virginia 26506-6315 (United States); Dwivedi, N. K. [Austrian Academy of Sciences, Space Research Institute, Schmiedlstrasse 6, 8042 Graz (Austria)] [Austrian Academy of Sciences, Space Research Institute, Schmiedlstrasse 6, 8042 Graz (Austria)

    2014-04-15T23:59:59.000Z

    This paper presents a model for the propagation of Kinetic Alfvén waves (KAWs) in inhomogeneous plasma when the inhomogeneity is transverse to the background magnetic field. The semi-analytical technique and numerical simulations have been performed to study the KAW dynamics when plasma inhomogeneity is incorporated in the dynamics. The model equations are solved in order to study the localization of KAW and their magnetic power spectrum which indicates the direct transfer of energy from lower to higher wave numbers. The inhomogeneity scale length plays a very important role in the turbulence generation and its level. The relevance of these investigations to space and laboratory plasmas has also been pointed out.

  3. Effect of nonlocal electron kinetics on the characteristics of a dielectric barrier discharge in xenon

    SciTech Connect (OSTI)

    Avtaeva, S. V.; Skornyakov, A. V. [Kyrgyz-Russian Slavic University (Kyrgyzstan)

    2009-07-15T23:59:59.000Z

    The established dynamics of a dielectric barrier discharge in xenon at a pressure of 400 Torr is simulated in the framework of a one-dimensional fluid model in the local and nonlocal field approximations. It is shown that taking into account the nonlocal character of the electric field does not qualitatively change physical processes in a dielectric barrier discharge, but significantly affects its quantitative characteristics. In particular, the sheath thickness decreases, plasma ionization intensifies, the spatiotemporal distribution of the mean electron energy changes, and the discharge radiation efficiency increases. Electron kinetics in a dielectric barrier discharge in xenon is analyzed using the nonlocal field approximation.

  4. Wetting kinetics of water nano-droplet containing non-surfactant nanoparticles: A molecular dynamics study

    SciTech Connect (OSTI)

    Lu, Gui [Key Laboratory for Thermal Science and Power Engineering of MOE, Beijing Key Laboratory for CO2 Utilization and Reduction Technology, Tsinghua University, Beijing 100084 (China) [Key Laboratory for Thermal Science and Power Engineering of MOE, Beijing Key Laboratory for CO2 Utilization and Reduction Technology, Tsinghua University, Beijing 100084 (China); Department of Mechanical Engineering and Mechanics, Drexel University, Philadelphia, Pennsylvania 19104 (United States); Hu, Han; Sun, Ying, E-mail: yyduan@tsinghua.edu.cn, E-mail: ysun@coe.drexel.edu [Department of Mechanical Engineering and Mechanics, Drexel University, Philadelphia, Pennsylvania 19104 (United States)] [Department of Mechanical Engineering and Mechanics, Drexel University, Philadelphia, Pennsylvania 19104 (United States); Duan, Yuanyuan, E-mail: yyduan@tsinghua.edu.cn, E-mail: ysun@coe.drexel.edu [Key Laboratory for Thermal Science and Power Engineering of MOE, Beijing Key Laboratory for CO2 Utilization and Reduction Technology, Tsinghua University, Beijing 100084 (China)] [Key Laboratory for Thermal Science and Power Engineering of MOE, Beijing Key Laboratory for CO2 Utilization and Reduction Technology, Tsinghua University, Beijing 100084 (China)

    2013-12-16T23:59:59.000Z

    In this Letter, dynamic wetting of water nano-droplets containing non-surfactant gold nanoparticles on a gold substrate is examined via molecular dynamics simulations. The results show that the addition of non-surfactant nanoparticles hinders the nano-second droplet wetting process, attributed to the increases in both surface tension of the nanofluid and friction between nanofluid and substrate. The droplet wetting kinetics decreases with increasing nanoparticle loading and water-particle interaction energy. The observed wetting suppression and the absence of nanoparticle ordering near the contact line of nano-sized droplets differ from the wetting behaviors reported from nanofluid droplets of micron size or larger.

  5. A KINETIC S'FUDY OF METHANOL SYNTHESIS IN A SLURRY REACTOR USING

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of ScienceandMesa del(ANL-IN-03-032) -Less isNFebruaryOctober 2, AlgeriaQ1 Q2youKINETIC S'FUDY OF

  6. Fracture toughness and process zone kinetics in amorphous polymers

    SciTech Connect (OSTI)

    Kim, A.

    1992-01-01T23:59:59.000Z

    Usually, a process (deformation) zone is formed ahead of a crack as a response to the stress concentration in ductile materials. Then the crack initiation and propagation are inseparable from the evolution of the process zone accompanying the crack. Thus the kinetics of process zone evolution is closely coupled with the time dependency of fracture. In this study, we report the effects of weathering, scale and loading rate on fracture toughness parameters, and the kinetics of process zone evolution. We also propose a kinetic equation for process zone as a basis for modeling of the time dependency of polycarbonate fracture. Since the well-known Griffith's criterion is usually implemented for characterization of brittle fracture, we have reviewed the applicability of the conventional toughness parameter to characterization of brittle polymers. After that we applied the developed experimental and analytical technique to polycarbonate which possesses ductility and thus does not obey the conventional fracture toughness characterization requirements. The fracture toughness analysis leads to recognition of the important role of process zone evolution in fracture phenomena. As result, one of the main topics of the present work is the experimental and theoretical studies of the process zone kinetics. The kinetic equation is derived following the first principle of thermodynamics of irreversible processes. It provides a master curve for the process zone evolution for various initial conditions. The kinetic equation for the evolution of the process zone in polycarbonate is the main achievement of the thesis. The results provide the basis for mathematical modeling of time dependency of fracture.

  7. POLARIZATION AND COMPRESSIBILITY OF OBLIQUE KINETIC ALFVEN WAVES

    SciTech Connect (OSTI)

    Hunana, P.; Goldstein, M. L. [NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States)] [NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States); Passot, T.; Sulem, P. L.; Laveder, D. [Laboratoire J. L. Lagrange, Universite de Nice Sophia Antipolis, CNRS, Observatoire de la Cote d'Azur, BP 4229, F-06304 Nice Cedex 4 (France)] [Laboratoire J. L. Lagrange, Universite de Nice Sophia Antipolis, CNRS, Observatoire de la Cote d'Azur, BP 4229, F-06304 Nice Cedex 4 (France); Zank, G. P. [Center for Space Plasma and Aeronomic Research (CSPAR), University of Alabama in Huntsville, Huntsville, AL 35805 (United States)] [Center for Space Plasma and Aeronomic Research (CSPAR), University of Alabama in Huntsville, Huntsville, AL 35805 (United States)

    2013-04-01T23:59:59.000Z

    It is well known that a complete description of the solar wind requires a kinetic description and that, particularly at sub-proton scales, kinetic effects cannot be ignored. It is nevertheless usually assumed that at scales significantly larger than the proton gyroscale r{sub L} , magnetohydrodynamics or its extensions, such as Hall-MHD and two-fluid models with isotropic pressures, provide a satisfactory description of the solar wind. Here we calculate the polarization and magnetic compressibility of oblique kinetic Alfven waves and show that, compared with linear kinetic theory, the isotropic two-fluid description is very compressible, with the largest discrepancy occurring at scales larger than the proton gyroscale. In contrast, introducing anisotropic pressure fluctuations with the usual double-adiabatic (or CGL) equations of state yields compressibility values which are unrealistically low. We also show that both of these classes of fluid models incorrectly describe the electric field polarization. To incorporate linear kinetic effects, we use two versions of the Landau fluid model that include linear Landau damping and finite Larmor radius (FLR) corrections. We show that Landau damping is crucial for correct modeling of magnetic compressibility, and that the anisotropy of pressure fluctuations should not be introduced without taking into account the Landau damping through appropriate heat flux equations. We also show that FLR corrections to all the retained fluid moments appear to be necessary to yield the correct polarization. We conclude that kinetic effects cannot be ignored even for kr{sub L} << 1.

  8. Peptide concentration alters intermediate species in amyloid ? fibrillation kinetics

    SciTech Connect (OSTI)

    Garvey, M., E-mail: megan.garvey@molbiotech.rwth-aachen.de [Max-Planck Research Unit for Enzymology of Protein Folding, Weinbergweg 22, 06120 Halle (Saale) (Germany); Morgado, I., E-mail: immorgado@ualg.pt [Max-Planck Research Unit for Enzymology of Protein Folding, Weinbergweg 22, 06120 Halle (Saale) (Germany)

    2013-04-12T23:59:59.000Z

    Highlights: ? A?(1–40) aggregation in vitro has been monitored at different concentrations. ? A?(1–40) fibrillation does not always follow conventional kinetic mechanisms. ? We demonstrate non-linear features in the kinetics of A?(1–40) fibril formation. ? At high A?(1–40) concentrations secondary processes dictate fibrillation speed. ? Intermediate species may play significant roles on final amyloid fibril development. -- Abstract: The kinetic mechanism of amyloid aggregation remains to be fully understood. Investigations into the species present in the different kinetic phases can assist our comprehension of amyloid diseases and further our understanding of the mechanism behind amyloid ? (A?) (1–40) peptide aggregation. Thioflavin T (ThT) fluorescence and transmission electron microscopy (TEM) have been used in combination to monitor A?(1–40) aggregation in vitro at both normal and higher than standard concentrations. The observed fibrillation behaviour deviates, in several respects, from standard concepts of the nucleation–polymerisation models and shows such features as concentration-dependent non-linear effects in the assembly mechanism. A?(1–40) fibrillation kinetics do not always follow conventional kinetic mechanisms and, specifically at high concentrations, intermediate structures become populated and secondary processes may further modify the fibrillation mechanism.

  9. Mineral dissolution kinetics at the pore scale

    SciTech Connect (OSTI)

    Li, L.; Steefel, C.I.; Yang, L.

    2007-05-24T23:59:59.000Z

    Mineral dissolution rates in the field have been reported to be orders of magnitude slower than those measured in the laboratory, an unresolved discrepancy that severely limits our ability to develop scientifically defensible predictive or even interpretive models for many geochemical processes in the earth and environmental sciences. One suggestion links this discrepancy to the role of physical and chemical heterogeneities typically found in subsurface soils and aquifers in producing scale-dependent rates where concentration gradients develop. In this paper, we examine the possibility that scale-dependent mineral dissolution rates can develop even at the single pore and fracture scale, the smallest and most fundamental building block of porous media. To do so, we develop two models to analyze mineral dissolution kinetics at the single pore scale: (1) a Poiseuille Flow model that applies laboratory-measured dissolution kinetics at the pore or fracture wall and couples this to a rigorous treatment of both advective and diffusive transport, and (2) a Well-Mixed Reactor model that assumes complete mixing within the pore, while maintaining the same reactive surface area, average flow rate, and geometry as the Poiseuille Flow model. For a fracture, a 1D Plug Flow Reactor model is considered in addition to quantify the effects of longitudinal versus transverse mixing. The comparison of averaged dissolution rates under various conditions of flow, pore size, and fracture length from the three models is used as a means to quantify the extent to which concentration gradients at the single pore and fracture scale can develop and render rates scale-dependent. Three important minerals that dissolve at widely different rates, calcite, plagioclase, and iron hydroxide, are considered. The modeling indicates that rate discrepancies arise primarily where concentration gradients develop due to comparable rates of reaction and advective transport, and incomplete mixing via molecular diffusion. The magnitude of the reaction rate is important, since it is found that scaling effects (and thus rate discrepancies) are negligible at the single pore and fracture scale for plagioclase and iron hydroxide because of the slow rate at which they dissolve. In the case of calcite, where dissolution rates are rapid, scaling effects can develop at high flow rates from 0.1 cm/s to 1000 cm/s and for fracture lengths less than 1 cm. At more normal flow rates, however, mixing via molecular diffusion is effective in homogenizing the concentration field, thus eliminating any discrepancies between the Poiseuille Flow and the Well-Mixed Reactor model. This suggests that a scale dependence to mineral dissolution rates is unlikely at the single pore or fracture scale under normal geological/hydrologic conditions, implying that the discrepancy between laboratory and field rates must be attributed to other factors.

  10. Neptunium_Oxide_Precipitation_Kinetics_AJohnsen

    SciTech Connect (OSTI)

    Johnsen, A M; Roberts, K E; Prussin, S G

    2012-06-08T23:59:59.000Z

    We evaluate the proposed NpO{sub 2}{sup +}(aq)-NpO{sub 2}(cr) reduction-precipitation system at elevated temperatures to obtain primary information on the effects of temperature, ionic strength, O{sub 2} and CO{sub 2}. Experiments conducted on unfiltered solutions at 10{sup -4} M NpO{sub 2}{sup +}(aq), neutral pH, and 200 C indicated that solution colloids strongly affect precipitation kinetics. Subsequent experiments on filtered solutions at 200, 212, and 225 C showed consistent and distinctive temperature-dependent behavior at reaction times {le} 800 hours. At longer times, the 200 C experiments showed unexpected dissolution of neptunium solids, but experiments at 212 C and 225 C demonstrated quasi steady-state neptunium concentrations of 3 x 10{sup -6} M and 6 x 10{sup -6} M, respectively. Solids from a representative experiment analyzed by X-ray diffraction were consistent with NpO{sub 2}(cr). A 200 C experiment with a NaCl concentration of 0.05 M showed a dramatic increase in the rate of neptunium loss. A 200 C experiment in an argon atmosphere resulted in nearly complete loss of aqueous neptunium. Previously proposed NpO{sub 2}{sup +}(aq)-NpO{sub 2}(cr) reduction-precipitation mechanisms in the literature specified a 1:1 ratio of neptunium loss and H{sup +} production in solution over time. However, all experiments demonstrated ratios of approximately 0.4 to 0.5. Carbonate equilibria can account for only about 40% of this discrepancy, leaving an unexpected deficit in H+ production that suggests that additional chemical processes are occurring.

  11. Kinetic simulation of neutron production in a deuterium z-pinch.

    SciTech Connect (OSTI)

    Mostrom, C. (Voss Scientific, Albuquerque, NM); Stygar, William A.; Thoma, Carsten (Voss Scientific, Albuquerque, NM); Welch, Dale Robert (Voss Scientific, Albuquerque, NM); Clark, R. E. (Voss Scientific, Albuquerque, NM); Leeper, Ramon Joe; Rose, David V. (Voss Scientific, Albuquerque, NM)

    2010-11-01T23:59:59.000Z

    We have found computationally that, at sufficiently high currents, half of the neutrons produced by a deuterium z pinch are thermonuclear in origin. Early experiments below 1-MA current found that essentially all of the neutrons produced by a deuterium pinch are not thermonuclear, but are initiated by an instability that creates beam-target neutrons. Many subsequent authors have supported this result while others have claimed that pinch neutrons are thermonuclear. To resolve this issue, we have conducted fully kinetic, collisional, and electromagnetic simulations of the complete time evolution of a deuterium pinch. We find that at 1-MA pinch currents, most of the neutrons are, indeed, beam-target in origin. At much higher current, half of the neutrons are thermonuclear and half are beam-target driven by instabilities that produce a power law fall off in the ion energy distribution function at large energy. The implications for fusion energy production with such pinches are discussed.

  12. Kinetic modeling and experimentation of anaerobic digestion

    E-Print Network [OSTI]

    Rea, Jonathan (Jonathan E.)

    2014-01-01T23:59:59.000Z

    Anaerobic digesters convert organic waste (agricultural and food waste, animal or human manure, and other organic waste), into energy (in the form of biogas or electricity). An added benefit to bio-digestion is a leftover ...

  13. Quantum potential energy as concealed motion

    E-Print Network [OSTI]

    Peter Holland

    2014-11-13T23:59:59.000Z

    It is known that the Schroedinger equation may be derived from a hydrodynamic model in which the Lagrangian position coordinates of a continuum of particles represent the quantum state. Using Routh\\s method of ignorable coordinates it is shown that the quantum potential energy of particle interaction that represents quantum effects in this model may be regarded as the kinetic energy of additional concealed freedoms. The method brings an alternative perspective to Planck\\s constant, which plays the role of a hidden variable, and to the canonical quantization procedure, since what is termed kinetic energy in quantum mechanics may be regarded literally as energy due to motion.

  14. Non-classical nuclei and growth kinetics of Cr precipitates in FeCr alloys during ageing

    SciTech Connect (OSTI)

    Li, Yulan; Hu, Shenyang Y.; Zhang, Lei; Sun, Xin

    2014-01-10T23:59:59.000Z

    In this manuscript, we quantitatively calculated the thermodynamic properties of critical nuclei of Cr precipitates in FeCr alloys. The concentration profiles of the critical nuclei and nucleation energy barriers were predicted by the constrained shrinking dimer dynamics (CSDD) method. It is found that Cr concentration distribution in the critical nuclei strongly depend on the overall Cr concentration as well as temperature. The critical nuclei are non-classical because the concentration in the nuclei is smaller than the thermodynamic equilibrium value. These results are in agreement with atomic probe observation. The growth kinetics of both classical and non-classical nuclei was investigated by the phase field approach. The simulations of critical nucleus evolution showed a number of interesting phenomena: 1) a critical classical nucleus first shrinks toward its non-classical nucleus and then grows; 2) a non-classical nucleus has much slower growth kinetics at its earlier growth stage compared to the diffusion-controlled growth kinetics. 3) a critical classical nucleus grows faster at the earlier growth stage than the non-classical nucleus. All of these results demonstrate that it is critical to introduce the correct critical nuclei in order to correctly capture the kinetics of precipitation.

  15. The Energy-Entropy Principle

    E-Print Network [OSTI]

    Rodrigo de Abreu

    2002-07-04T23:59:59.000Z

    In this paper, through a criticism of what we call the paradigmatic view of thermodynamics, we aim at showing a new perspective attained in this matter. The generalization of heat as internal energy (generalization of the kinetic energy concept of heat) permits the generalization of the Kelvin postulate: "It is impossible, without another effect, to convert internal energy into work" (no reference to heat or to heat reservoir).

  16. Importance of the Doppler Effect to the Determination of the Deuteron Binding Energy

    E-Print Network [OSTI]

    Yongkyu Ko; Myung Ki Cheoun; Il-Tong Cheon

    1999-04-01T23:59:59.000Z

    The deuteron binding energy extracted from the reaction ${}^1H(n,\\gamma){}^2H$ is reviewed with the exact relativistic formula, where the initial kinetic energy and the Doppler effect are taken into account. We find that the negligible initial kinetic energy of the neutron could cause a significant uncertainty which is beyond the errors available up to now. Therefore, we suggest an experiment which should include the detailed informations about the initial kinetic energy and the detection angle. It could reduce discrepancies among the recently reported values about the deuteron binding energy and pin down the uncertainty due to the Doppler broadening of $\\gamma$ ray.

  17. Improving alternative fuel utilization: detailed kinetic combustion

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels DataDepartment of Energy Your Density Isn't YourTransport(Fact Sheet),EnergyImprovement of the Lost FoamCooling

  18. Multiple-distribution-function lattice Boltzmann kinetic model for combustion phenomena

    E-Print Network [OSTI]

    Chuandong Lin; Aiguo Xu; Guangcai Zhang; Yingjun Li

    2014-05-21T23:59:59.000Z

    A hybrid kinetic model for combustion phenomena is proposed. The chemical reaction process is described by a phenomenological rate function. The flow behavior is described by a Lattice Boltzmann Kinetic Model (LBKM) with any number of distribution functions. As an example, we illustrate the case with only two distribution functions. One distribution function is used to describe the reactant, and the other one is used to describe the reaction product. Compared with the traditional fluid model for combustion, the new model can be used to study simultaneously both the hydrodynamic and the thermodynamic nonequilibrium behaviors. Compared with the previous LBKM-hybrid models with single distribution function, the new model can be used to study more carefully the combustion process, for example, the variations of the particle number densities, particle mass densities, flow velocities, internal energies per unit volume, internal energies per unit mass, temperatures, and pressures of each species and the whole of the system. It is found that both of chemical reactant and reaction product have different levels of deviation from their equilibrium state in different degrees of freedom. For a special degree of freedom, the deviation of chemical reactant from its equilibrium state is different from that of reaction product from its equilibrium state.

  19. Kinetic simulation of thermonuclear-neutron production by a 10{sup 7}-A deuterium Z pinch

    SciTech Connect (OSTI)

    Welch, D. R.; Rose, D. V.; Thoma, C.; Clark, R. E.; Mostrom, C. B. [Voss Scientific, LLC, Albuquerque, New Mexico 87108 (United States); Stygar, W. A.; Leeper, R. J. [Sandia National Laboratories, Albuquerque, New Mexico 87185-1196 (United States)

    2010-07-15T23:59:59.000Z

    Fully kinetic simulations have demonstrated that at sufficiently high currents, half of the neutrons produced by a deuterium Z-pinch are thermonuclear in origin. At 150-kA pinch current, O. A. Anderson et al. [Phys. Rev. 110, 1375 (1958)] clearly shows that essentially all of the neutrons produced by a deuterium pinch are not thermonuclear, but are initiated by an instability that creates beam-target neutrons. Since this paper, many subsequent authors have supported this result while others have claimed that pinch neutrons are, on the contrary, thermonuclear. To resolve this issue, fully kinetic, collisional, and electromagnetic simulations of the complete time evolution of a deuterium pinch have been performed. The simulations were performed with the implicit particle-in-cell code LSP, as described in D. R. Welch et al. [Phys. Rev. Lett. 103, 255002 (2009)]. At 10{sup 6} -A pinch currents, most of the neutrons are, indeed, beam-target in origin. At 15-MA current, half of the neutrons are thermonuclear and half are beam-target driven by instabilities that produce a power law fall off in the ion energy distribution function at large energy. Simulation results suggest that from 7- to 15-MA current, the fraction of thermonuclear neutrons is not sensitive to current and that the strong dependence of neutron yield on current will continue at currents greater than 15 MA.

  20. Chemical Kinetics of Hydrocarbon Ignition in Practical Combustion Systems

    SciTech Connect (OSTI)

    Westbrook, C.K.

    2000-07-07T23:59:59.000Z

    Chemical kinetic factors of hydrocarbon oxidation are examined in a variety of ignition problems. Ignition is related to the presence of a dominant chain branching reaction mechanism that can drive a chemical system to completion in a very short period of time. Ignition in laboratory environments is studied for problems including shock tubes and rapid compression machines. Modeling of the laboratory systems are used to develop kinetic models that can be used to analyze ignition in practical systems. Two major chain branching regimes are identified, one consisting of high temperature ignition with a chain branching reaction mechanism based on the reaction between atomic hydrogen with molecular oxygen, and the second based on an intermediate temperature thermal decomposition of hydrogen peroxide. Kinetic models are then used to describe ignition in practical combustion environments, including detonations and pulse combustors for high temperature ignition, and engine knock and diesel ignition for intermediate temperature ignition. The final example of ignition in a practical environment is homogeneous charge, compression ignition (HCCI) which is shown to be a problem dominated by the kinetics intermediate temperature hydrocarbon ignition. Model results show why high hydrocarbon and CO emissions are inevitable in HCCI combustion. The conclusion of this study is that the kinetics of hydrocarbon ignition are actually quite simple, since only one or two elementary reactions are dominant. However, there are many combustion factors that can influence these two major reactions, and these are the features that vary from one practical system to another.

  1. Kinetics of growth of spinel crystals in a borosilicate glass

    SciTech Connect (OSTI)

    Alton, Jesse; Plaisted, Trevor J.; Hrma, Pavel R.

    2002-07-01T23:59:59.000Z

    Three aspects of the kinetics of spinel crystallization in a high-level waste (HLW) glass were studied: (1) the effect of nucleation agents on the number density (ns) of spinel crystals, (2) crystallization kinetics in a crushed glass, and (3) crystallization kinetics in a glass preheated at T > TL (liquidus temperature). In glass lacking in nucleation agents, ns was a strong function of temperature. In glasses with noble metals (Rh, Ru, Pd, and Pt), ns increased by up to four orders of magnitude and was nearly independent of temperature. The kinetics of spinel crystallization in crushed glass lacking nucleation agents was dominated by surface crystallization and was described by the Kolmogorov-Johnson-Mehl-Avrami (KJMA) equation with the Avrami exponent n {at} 0.5. For application to HLW glass melter processing, it was necessary to preheat glass at T > TL to eliminate the impact of temperature history and surface crystallization on crystal nucleation and growth. In the temperature range of glass processing, crystals descend under gravity when they reach a critical size. Below this critical size, crystallization kinetics is described by the KJMA equation and above the critical size by the Hixson-Crowell equation. At low temperatures, at which glass viscosity is high and diffusion is slow, the KJMA equation represents crystal growth from nucleation to equilibrium. As ns increases, the temperature interval of the transition from the KJMA to Hixson-Crowell regime shifts to a higher temperature.

  2. Kinetics of growth of spinel crystals in a borosilicate glass

    SciTech Connect (OSTI)

    Alton, Jesse; Plaisted, Trevor J.; Hrma, Pavel R.

    2002-08-08T23:59:59.000Z

    Three aspects of the kinetics of spinel crystallization in a high-level waste (HLW) glass were studied: (1) the effect of nucleation agents on the number density (ns) of spinel crystals, (2) crystallization kinetics in a crushed glass, and (3) crystallization kinetics in a glass preheated at T>TL (liquidus temperature). In glass lacking in nucleation agens, ns was a strong function of temperature. In glasses with noble metals (Rh, Ru, Pd, and Pt), ns increased by up to four orders of magnitude and was nearly independent of temperature. The kinetics of spinel crystallization in crushed glass lacking nucleation agents was dominated by surface crystallization and was described by the Kolmogorov-Johnson-Mehl-Avrami (KJMA) equation with the Avrami exponent n~0.5. For application to HLW glass melter processing, it was necessary to preheat glass at T>TL to eliminate the impact of temperature history and surface crystallization on crystal nucleation and growth. In the temperature range of glass processing, crystals descend under gravity when they reach a critical size. Below this critical size, crystallization kinetics is described by the KJMA equation and above the critical size by the Hixson-Crowell equation. At low temperatures, at which glass viscosity is high and diffusion is slow, the KJMA equation represents crystal growth from nucleation to equilibrium. As ns increases, the temperature interval of the transition from the KJMA to Hisxon-Crowell regime shifts to a higher temperature.

  3. Motion-to-Energy (M2Eâ?¢) Power Generation Technology

    ScienceCinema (OSTI)

    Idaho National Laboratory

    2010-01-08T23:59:59.000Z

    INL researchers developed M2E, a new technology that converts motion to energy. M2E uses an innovative, optimized microgenerator with power management circuitry that kinetically charges mobile batteries from natural motion such as walking. To learn more,

  4. Motion-to-Energy (M2E) Power Generation Technology

    ScienceCinema (OSTI)

    INL

    2009-09-01T23:59:59.000Z

    INL researchers developed M2E, a new technology that converts motion to energy. M2E uses an innovative, optimized microgenerator with power management circuitry that kinetically charges mobile batteries from natural motion such as walking.

  5. Motion-to-Energy (M2E) Power Generation Technology

    SciTech Connect (OSTI)

    INL

    2008-05-30T23:59:59.000Z

    INL researchers developed M2E, a new technology that converts motion to energy. M2E uses an innovative, optimized microgenerator with power management circuitry that kinetically charges mobile batteries from natural motion such as walking.

  6. Motion-to-Energy (M2Eâ„¢) Power Generation Technology

    SciTech Connect (OSTI)

    Idaho National Laboratory

    2008-05-30T23:59:59.000Z

    INL researchers developed M2E, a new technology that converts motion to energy. M2E uses an innovative, optimized microgenerator with power management circuitry that kinetically charges mobile batteries from natural motion such as walking. To learn more,

  7. Kinetics of complex plasma with liquid droplets

    SciTech Connect (OSTI)

    Misra, Shikha; Sodha, M. S. [Centre of Energy Studies, Indian Institute of Technology Delhi (IITD), New Delhi 110016 (India)] [Centre of Energy Studies, Indian Institute of Technology Delhi (IITD), New Delhi 110016 (India); Mishra, S. K. [Institute for Plasma Research (IPR), Gandhinagar 382428 (India)] [Institute for Plasma Research (IPR), Gandhinagar 382428 (India)

    2013-12-15T23:59:59.000Z

    This paper provides a theoretical basis for the reduction of electron density by spray of water (or other liquids) in hot plasma. This phenomenon has been observed in a hypersonic flight experiment for relief of radio black out, caused by high ionization in the plasma sheath of a hypersonic vehicle, re-entering the atmosphere. The analysis incorporates a rather little known phenomenon for de-charging of the droplets, viz., evaporation of ions from the surface and includes the charge balance on the droplets and number cum energy balance of electrons, ions, and neutral molecules; the energy balance of the evaporating droplets has also been taken into account. The analysis has been applied to a realistic situation and the transient variations of the charge and radius of water droplets, and other plasma parameters have been obtained and discussed. The analysis through made in the context of water droplets is applicable to all liquids.

  8. On bias of kinetic temperature measurements in complex plasmas

    SciTech Connect (OSTI)

    Kantor, M. [Association Euratom-Max-Planck-Institut für Plasmaphysik, D-85748 Garching bei München (Germany) [Association Euratom-Max-Planck-Institut für Plasmaphysik, D-85748 Garching bei München (Germany); Association Euratom-FOM Institute DIFFER, 3430 BE Nieuwegein (Netherlands); Ioffe Institute, RAS, St. Petersburg 194021 (Russian Federation); Moseev, D., E-mail: dmitry.moseev@ipp.mpg.de [Association Euratom-Max-Planck-Institut für Plasmaphysik, D-85748 Garching bei München (Germany); Association Euratom-FOM Institute DIFFER, 3430 BE Nieuwegein (Netherlands); Salewski, M. [Association Euratom-DTU, Department of Physics, Technical University of Denmark, DTU Ris o Campus, DK-4000 Roskilde (Denmark)] [Association Euratom-DTU, Department of Physics, Technical University of Denmark, DTU Ris o Campus, DK-4000 Roskilde (Denmark)

    2014-02-15T23:59:59.000Z

    The kinetic temperature in complex plasmas is often measured using particle tracking velocimetry. Here, we introduce a criterion which minimizes the probability of faulty tracking of particles with normally distributed random displacements in consecutive frames. Faulty particle tracking results in a measurement bias of the deduced velocity distribution function and hence the deduced kinetic temperature. For particles with a normal velocity distribution function, mistracking biases the obtained velocity distribution function towards small velocities at the expense of large velocities, i.e., the inferred velocity distribution is more peaked and its tail is less pronounced. The kinetic temperature is therefore systematically underestimated in measurements. We give a prescription to mitigate this type of error.

  9. Kinetic Alfvén wave turbulence and formation of localized structures

    SciTech Connect (OSTI)

    Sharma, R. P. [Centre for Energy Studies, Indian Institute of Technology Delhi, Delhi 110016 (India)] [Centre for Energy Studies, Indian Institute of Technology Delhi, Delhi 110016 (India); Modi, K. V. [Centre for Energy Studies, Indian Institute of Technology Delhi, Delhi 110016 (India) [Centre for Energy Studies, Indian Institute of Technology Delhi, Delhi 110016 (India); Mechanical Engineering Department, Government Engineering College Valsad, Gujarat 396001 (India)

    2013-08-15T23:59:59.000Z

    This work presents non-linear interaction of magnetosonic wave with kinetic Alfvén wave for intermediate ?-plasma (m{sub e}/m{sub i}???1). A set of dimensionless equations have been developed for analysis by considering ponderomotive force due to pump kinetic Alfvén wave in the dynamics of magnetosonic wave. Stability analysis has been done to study modulational instability or linear growth rate. Further, numerical simulation has been carried out to study the nonlinear stage of instability and resulting power spectrum applicable to solar wind around 1 AU. Due to the nonlinearity, background density of magnetosonic wave gets modified which results in localization of kinetic Alfvén wave. From the obtained results, we observed that spectral index follows k{sup ?3.0}, consistent with observation received by Cluster spacecraft for the solar wind around 1 AU. The result shows the steepening of power spectrum which may be responsible for heating and acceleration of plasma particles in solar wind.

  10. Chemical Kinetic Models for HCCI and Diesel Combustion

    SciTech Connect (OSTI)

    Pitz, W J; Westbrook, C K; Mehl, M; Sarathy, S M

    2010-11-15T23:59:59.000Z

    Predictive engine simulation models are needed to make rapid progress towards DOE's goals of increasing combustion engine efficiency and reducing pollutant emissions. These engine simulation models require chemical kinetic submodels to allow the prediction of the effect of fuel composition on engine performance and emissions. Chemical kinetic models for conventional and next-generation transportation fuels need to be developed so that engine simulation tools can predict fuel effects. The objectives are to: (1) Develop detailed chemical kinetic models for fuel components used in surrogate fuels for diesel and HCCI engines; (2) Develop surrogate fuel models to represent real fuels and model low temperature combustion strategies in HCCI and diesel engines that lead to low emissions and high efficiency; and (3) Characterize the role of fuel composition on low temperature combustion modes of advanced combustion engines.

  11. Kinetics of high-conversion hydrocracking of bitumen

    SciTech Connect (OSTI)

    Nagaishi, H.; Gray, M.R. [Univ. of Alberta, Edmonton (Canada); Chan, E.W.; Sanford, E.C. [Syncrude Canada, Edmonton, Alberta (Canada)

    1995-12-31T23:59:59.000Z

    Residues are complex mixtures of thousands of components. This mixture will change during hydrocracking, so that high conversion may result in a residue material with different characteristics from the starting material. Our objective is to determine the kinetics of residue conversion and yields of distillates at high conversions, and to relate these observations to the underlying chemical reactions. Athabasca bitumen was reacted in a 1-L CSTR in a multipass operation. Product from the first pass was collected, then run through the reactor again and so on, giving kinetic data under conditions that simulated a multi-reactor or packed-bed operation. Experiments were run both with hydrocracking catalyst and without added catalyst. Products were analyzed by distillation, elemental analysis, NMR, and GPC. These data will be used to derive a kinetic model for hydrocracking of bitumen residue covering a wide range of conversion (from 30% to 95%+), based on the underlying chemistry.

  12. Direct Kinetic Measurements of a Criegee Intermediate

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville Power AdministrationField Campaign: PotentialFederal Financial

  13. Fragments' internal and kinetic temperatures in the framework of a Nuclear Statistical Multifragmentation Model

    E-Print Network [OSTI]

    S. R. Souza; B. V. Carlson; R. Donangelo; W. G. Lynch; M. B. Tsang

    2014-11-27T23:59:59.000Z

    The agreement between the fragments' internal and kinetic temperatures with the breakup temperature is investigated using a Statistical Multifragmentation Model which makes no a priori as- sumption on the relationship between them. We thus examine the conditions for obtaining such agreement and find that, in the framework of our model, this holds only in a relatively narrow range of excitation energy. The role played by the qualitative shape of the fragments' state densities is also examined. Our results suggest that the internal temperature of the light fragments may be affected by this quantity, whose behavior may lead to constant internal temperatures over a wide excitation energy range. It thus suggests that the nuclear thermometry may provide valuable information on the nuclear state density.

  14. Energy Conversion & Storage Program, 1993 annual report

    SciTech Connect (OSTI)

    Cairns, E.J.

    1994-06-01T23:59:59.000Z

    The Energy Conversion and Storage Program applies chemistry and materials science principles to solve problems in: production of new synthetic fuels; development of high-performance rechargeable batteries and fuel cells; development of high-efficiency thermochemical processes for energy conversion; characterization of complex chemical processes and chemical species; and the study and application of novel materials for energy conversion and transmission. Projects focus on transport-process principles, chemical kinetics, thermodynamics, chemical kinetics, thermodynamics, separation processes, organic and physical chemistry, novel materials, and advanced methods of analysis.

  15. Spectroscopy and kinetics of combustion gases at high temperatures

    SciTech Connect (OSTI)

    Hanson, R.K.; Bowman, C.T. [Stanford Univ., CA (United States)

    1993-12-01T23:59:59.000Z

    This program involves two complementary activities: (1) development and application of cw ring dye laser absorption methods for sensitive detection of radical species and measurement of fundamental spectroscopic parameters at high temperatures; and (2) shock tube studies of reaction kinetics relevant to combustion. Species currently under investigation in the spectroscopic portion of the research include NO and CH{sub 3}; this has necessitated the continued operated at wavelengths in the range 210-230 nm. Shock tube studies of reaction kinetics currently are focussed on reactions involving CH{sub 3} radicals.

  16. A coke oven model including thermal decomposition kinetics of tar

    SciTech Connect (OSTI)

    Munekane, Fuminori; Yamaguchi, Yukio [Mitsubishi Chemical Corp., Yokohama (Japan); Tanioka, Seiichi [Mitsubishi Chemical Corp., Sakaide (Japan)

    1997-12-31T23:59:59.000Z

    A new one-dimensional coke oven model has been developed for simulating the amount and the characteristics of by-products such as tar and gas as well as coke. This model consists of both heat transfer and chemical kinetics including thermal decomposition of coal and tar. The chemical kinetics constants are obtained by estimation based on the results of experiments conducted to investigate the thermal decomposition of both coal and tar. The calculation results using the new model are in good agreement with experimental ones.

  17. Nonisothermal kinetics of spinel crystallization in a HLW glass

    SciTech Connect (OSTI)

    Casler, D.G.; Hrma, P.

    1999-07-01T23:59:59.000Z

    Nonisothermal kinetics of spinel crystallization in a high-level waste (HLW) glass was predicted using Mehl-Avrami-Johnson-Kolmogorov equation coefficients from isothermal data. The volume fraction of spinel was determined as a function of time, temperature, and cooling rate. The results were verified experimentally. Also predicted was the spatial distribution of spinel in a HLW glass canister. Finally, a parameter study was performed, and an empirical equation was proposed relating the final spinel volume fraction in glass to dimensionless numbers for cooling rate, phase equilibrium, and crystallization kinetics.

  18. Infrared absorption spectroscopy and chemical kinetics of free radicals

    SciTech Connect (OSTI)

    Curl, R.F.; Glass, G.P. [Rice Univ., Houston, TX (United States)

    1993-12-01T23:59:59.000Z

    This research is directed at the detection, monitoring, and study of chemical kinetic behavior by infrared absorption spectroscopy of small free radical species thought to be important intermediates in combustion. During the last year, infrared kinetic spectroscopy using excimer laser flash photolysis and color-center laser probing has been employed to study the high resolution spectrum of HCCN, the rate constant of the reaction between ethynyl (C{sub 2}H) radical and H{sub 2} in the temperature region between 295 and 875 K, and the recombination rate of propargyl (CH{sub 2}CCH) at room temperature.

  19. Direct Kinetic Measurements of a Criegee Intermediate

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625govInstrumentstdmadapInactiveVisitingContract Management FermiDavidDiesel pricesDiesel28, 2007,DiracDirect

  20. Direct Kinetic Measurements of a Criegee Intermediate

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625govInstrumentstdmadapInactiveVisitingContract Management FermiDavidDiesel pricesDiesel28, 2007,DiracDirectDirect

  1. Direct Kinetic Measurements of a Criegee Intermediate

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625govInstrumentstdmadapInactiveVisitingContract Management FermiDavidDiesel pricesDiesel28,

  2. CEFRC_Egolfopoulos_Flames_Kinetics_Web.ppt

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office511041clothAdvanced Materials Advanced. C o w l i t z C o . C l a r k C o'IUHopper c omputeLab

  3. Direct Kinetic Measurements of a Criegee Intermediate

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville Power AdministrationField Campaign: PotentialFederal Financial InterventionsDirectDirect

  4. Direct Kinetic Measurements of a Criegee Intermediate

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville Power AdministrationField Campaign: PotentialFederal Financial InterventionsDirectDirectDirect

  5. Long-term Kinetics of Uranyl Desorption from Sediments Under Advective Conditions

    SciTech Connect (OSTI)

    Shang, Jianying; Liu, Chongxuan; Wang, Zheming; Zachara, John M.

    2014-02-15T23:59:59.000Z

    Long-term (> 4 months) column experiments were performed to investigate the kinetics of uranyl (U(VI)) desorption in sediments collected from the Integrated Field Research Challenge (IFRC) site at the US Department of Energy (DOE) Hanford 300 Area. The experimental results were used to evaluate alternative multi-rate surface complexation reaction (SCR) approaches to describe the short- and long-term kinetics of U(VI) desorption under flow conditions. The SCR stoichiometry, equilibrium constants, and multi-rate parameters were independently characterized in batch and stirred flow-cell reactors. Multi-rate SCR models that were either additively constructed using the SCRs for individual size fractions (e.g., Shang et al., 2011), or composite in nature could effectively describe short-term U(VI) desorption under flow conditions. The long-term desorption results, however, revealed that using a labile U concentration measured by carbonate extraction under-estimated desorbable U(VI) and the long-term rate of U(VI) desorption. An alternative modeling approach using total U as the desorbable U(VI) concentration was proposed to overcome this difficulty. This study also found that the gravel size fraction (2-8 mm), which is typically treated as non-reactive in modeling U(VI) reactive transport because of low external surface area, can have an important effect on the U(VI) desorption in the sediment. This study demonstrates an approach to effectively extrapolate U(VI) desorption kinetics for field-scale application, and identifies important parameters and uncertainties affecting model predictions.

  6. Modeling the infiltration kinetics of molten aluminum into porous titanium carbide

    SciTech Connect (OSTI)

    Muscat, D. (Univ. of Malta, Msida (Malta). Dept. of Metallurgy and Materials Engineering); Drew, R.A.L. (McGill Univ., Montreal, Quebec (Canada))

    1994-11-01T23:59:59.000Z

    Capillary-induced melt infiltration is an attractive method of fabricating metal/ceramic composites, as it offers the advantage of producing material with a high ceramic content and near-net-shape fabrication, without the use of an external force. In this work, the kinetics of infiltration of molten Al in TiC preforms, having a pore size of approximately 1[mu]m and porosity ranging from 20 to 40 pct, were investigated. The rate of infiltration was continuously monitored using a Thermo-Gravimetric analyzer (TGA), which measured the weight change of the preform as the metal intruded the sample. Infiltration profiles were generated over a temperature range of 860 C to 1,085 C. At lower temperatures, an incubation period was evident in the profiles. The average activation energy for the different preforms was 90 kJ/mol, indicating that some form of mass-transfer mechanisms was involved in driving the process. Furthermore, sessile drop tests showed an unstable wetting angle over a long period of time. Such wetting kinetics were responsible for the incubation period during the infiltration. The infiltration rate was also seen to be slower as the preform density increased. This was due to the tortuous nature of the channels and was characterized using curves obtained for liquids infiltrating the same preforms at room temperature. Both the tortuosity and the unstable contact angle have to be considered when modeling the infiltration kinetics of such a system. The existing model was therefore modified by incorporating terms to describe the process more accurately. A good correlation with the experimental data was seen to exist.

  7. Co-existence of whistler waves with kinetic Alfven wave turbulence for the high-beta solar wind plasma

    SciTech Connect (OSTI)

    Mithaiwala, Manish; Crabtree, Chris; Ganguli, Gurudas [Plasma Physics Division, Naval Research Laboratory, Washington, DC 20375-5346 (United States); Rudakov, Leonid [Icarus Research Inc., P.O. Box 30780, Bethesda, Maryland 20824-0780 (United States)

    2012-10-15T23:59:59.000Z

    It is shown that the dispersion relation for whistler waves is identical for a high or low beta plasma. Furthermore, in the high-beta solar wind plasma, whistler waves meet the Landau resonance with electrons for velocities less than the thermal speed, and consequently, the electric force is small compared to the mirror force. As whistlers propagate through the inhomogeneous solar wind, the perpendicular wave number increases through refraction, increasing the Landau damping rate. However, the whistlers can survive because the background kinetic Alfven wave (KAW) turbulence creates a plateau by quasilinear (QL) diffusion in the solar wind electron distribution at small velocities. It is found that for whistler energy density of only {approx}10{sup -3} that of the kinetic Alfven waves, the quasilinear diffusion rate due to whistlers is comparable to KAW. Thus, very small amplitude whistler turbulence can have a significant consequence on the evolution of the solar wind electron distribution function.

  8. NREL is a national laboratory of the U.S. Department of Energy, Office of Energy Efficiency & Renewable Energy, operated by the Alliance for Sustainable Energy, LLC.

    E-Print Network [OSTI]

    NWTC National Wind Technology Center SWT small wind turbine TKE turbulent kinetic energy VAWT vertical-axis computational fluid dynamics HAWT horizontal-axis wind turbine IEA International Energy Agency IEC International-Environment Wind Turbine Roadmap J. Smith, T. Forsyth, K. Sinclair, and F. Oteri Technical Report NREL/TP-5000

  9. Development of a crash energy absorber

    E-Print Network [OSTI]

    Bullard, Delbert Lance

    1995-01-01T23:59:59.000Z

    A new energy absorbing cartridge, named the "Z-tube" was developed for use in a new conceptualized highway safety appurtenance. The Z-tube was developed to provide a low cost method of dissipating the kinetic energy of errant motor vehicles. The Z...

  10. Resources recovery of oil sludge by pyrolysis: Kinetics study

    SciTech Connect (OSTI)

    Shie, J.L.; Chang, C.Y.; Lin, J.P.; Wu, C.H.; Lee, D.J.

    1999-07-01T23:59:59.000Z

    Oil sludge, if unused, is one of the major industrial wastes needed to be treated for the petroleum refinery plant or petrochemical industry. It contains a large amount of combustibles with high heating values. The treatment of waste oil sludge by burning has certain benefit; however, it cannot provide the useful resource efficiently. On the other hand, the conversion of oil sludge to lower molecule weight organic compounds by pyrolysis not only solves the disposal problem but also matches the appeal of resource utilization. The major sources of oil sludge include the oil storage tank sludge, the biological sludge, the dissolve air flotation (DAF) scum, the American Petroleum Institute (API) separator sludge and the chemical sludge. In this study, the oil sludge from the oil storage tank of a typical petroleum refinery plant located in the northern Taiwan is used as the raw material of pyrolysis. Its heating value of dry basis and low heating value of wet basis are about 10,681 k cal/kg and 5,870 k cal/kg, respectively. The removal of the moisture of oil sludge significantly increases its heating value. The pyrolysis of oil sludge is conducted by the use of nitrogen as the carrier gas in the temperature range of 380 {approximately} 1,073 K and at various constant heating rates of 5.2, 12.8 and 21.8 K/min. The pyrolytic reaction is significant in 450 {approximately} 800 K and complex. For the sake of simplicity and engineering use, a one-reaction kinetic model is proposed for the pyrolysis of oil sludge, and is found to satisfactorily fit the experimental data. The activation energy, reaction order and frequency factor of the corresponding pyrolysis reaction in nitrogen for oil sludge are 78.22 kJ/mol, 2.92 and 9.48 105 l/min, respectively. These results are very useful for the proper design of the pyrolysis system of the oil sludge under investigation.

  11. AER1301: KINETIC THEORY OF GASES Assignment #1

    E-Print Network [OSTI]

    Groth, Clinton P. T.

    AER1301: KINETIC THEORY OF GASES Assignment #1 1. A hypersonic wind tunnel is contructed so such that the mean free path, , is given by the expression = 16µ 5 1 2RT , where R is the ideal gas constant and p space and the length of each side of the cube is 4v. (a) Obtain an expression for the normalized

  12. AER1301: KINETIC THEORY OF GASES Assignment #1

    E-Print Network [OSTI]

    Groth, Clinton P. T.

    AER1301: KINETIC THEORY OF GASES Assignment #1 1. A hypersonic wind tunnel is contructed so spheres during collisions such that the mean free path, #21;, is given by the expression #21; = 16#22; 5 of the cube is 4v Æ . (a) Obtain an expression for the normalized velocity distribution function, f(v). (b

  13. Kinetics of the clay roofing tile convection drying

    SciTech Connect (OSTI)

    Thomas, S. (Univ. of Osijek (Croatia). Faculty of Food Technology); Skansi, D. (Univ. of Zagreb (Croatia). Faculty of Chemical Engineering and Technology); Sokele, M. (Croatian Post and Telecommunications, Zagreb (Croatia). Telecommunications Center)

    1993-01-01T23:59:59.000Z

    Kinetics of the convection drying process of flat tile has been investigated experimentally in an industrial tunnel dryer. Several velocities of wet tile movement through the dryer were tested to obtain maximum allowable drying rate curve. As there are various models to describe the kinetics of convection drying, finding a model that would fairly well approximate the kinetics of the whole drying process was part of the research. Especially the polynomial and exponential models were tested. It was found that exponential model of the type: B(t) = (a[minus]B[sub e])[center dot]EXP([minus]bt[sup 2])+B[sub e], ([minus]dB(t)/dt) = 2bt(B(t)[minus]B[sub e]) significantly correlates the kinetics of the whole tile drying process. Applying the maximum allowable drying rate curve obtained for flat tile in the first period of drying, a grapho-analytic model for the optimal conducting of the process has been developed.

  14. Kinetic Controls on Cu and Pb Sorption by Ferrihydrite

    E-Print Network [OSTI]

    Sparks, Donald L.

    time. To determine key factors controlling the kinetics, we measured Cu and Pb uptake as a function that the surfaces of primary particles with diameters of only a few nanometers are accessible even after aggregation ferrihydrite aggregates or the branched structure of primary ferrihydrite particles. Consequently, they fitted

  15. Improve Claus simulation by integrating kinetic limitations into equilibrium calculations

    SciTech Connect (OSTI)

    Wen, T.C.

    1986-01-01T23:59:59.000Z

    Since all existing Claus simulators are based on equilibrium calculations, it is not surprising that the simulation results, including the overall sulfur yield, air to acid gas ratio, and stream compositions are somewhat different from the plant data. One method for improving the simulation is to consider the kinetic limitations in the Claus reactions. This has been accomplished in this work by integrating kinetic considerations into equilibrium calculations. Kinetic limitations have been introduced in both the Claus reaction furnace and the catalytic converters. An interactive computer program SULPLT Version 3 was written to implement the proposed modifications. The computer program was used to simulate the Claus furnace, catalytic converters, and the effect of air to acid gas ratio on sulfur recovery to check against literature data. Three Claus plants for which data exist have also been simulated. The results show that the proposed model predicts sulfur recovery, sulfur emission, optimal air to acid gas ratio, and various stream compositions more accurately than the equilibrium model. The proposed model appears to be valid, reliable, and applicable over a wide range of operating conditions (acid gas feeds ranging from 13% to 95% H/sub 2/S with different levels of impurities). The methodology developed in this study should be applicable to any reaction systems where kinetic limitations are important but where equilibrium still prevails.

  16. Kinetics of inactivation of indicator pathogens during thermophilic anaerobic digestion

    E-Print Network [OSTI]

    Kinetics of inactivation of indicator pathogens during thermophilic anaerobic digestion Sudeep C Thermophilic anaerobic digestion Pathogen inactivation Ascaris suum Helminth eggs Poliovirus Enteric viruses a b s t r a c t Thermophilic anaerobic sludge digestion is a promising process to divert waste

  17. Hydrogen pickup measurements in zirconium alloys: Relation to oxidation kinetics

    E-Print Network [OSTI]

    Motta, Arthur T.

    Hydrogen pickup measurements in zirconium alloys: Relation to oxidation kinetics Adrien Couet a to reduce hydrogen pickup during operation, and the associated cladding degradation. The present study focuses on precisely and accurately measuring hydrogen pickup fraction for a set of alloys to specifically

  18. Kinetic model for nitric oxide formation during pulverized coal combustion

    SciTech Connect (OSTI)

    Mitchell, J.W.; Tarbell, J.M.

    1982-03-01T23:59:59.000Z

    A mathematical model of NO formation during pulverised coal combustion was developed from a proposed kinetic mechanism involving 12 overall chemical reactions. Most significantly, the model describes the complex conversion of coal bound nitrogen compounds to NO during combustion. The predictions of the model compare favourably with literature data and are in qualitative agreement with trends observed in practical coal combustion.

  19. Kinetics of hyperpolarized 13 C1-pyruvate transport

    E-Print Network [OSTI]

    Frydman, Lucio

    and their metabolic products, whereas gradient-based techniques can localize the spatial source of these spectralKinetics of hyperpolarized 13 C1-pyruvate transport and metabolism in living human breast cancer) Metabolic fluxes can serve as specific biomarkers for detecting malignant transformations, tumor progression

  20. Kinetics of gene derepression by ERK signaling , Nria Samperb

    E-Print Network [OSTI]

    Shvartsman, Stanislav "Stas"

    Kinetics of gene derepression by ERK signaling Bomyi Lima , Núria Samperb , Hang Luc , Christine February 25, 2013) ERK controls gene expression in development, but mechanisms that link ERK activation to study transcriptional interpretation of ERK signaling during Dro- sophila embryogenesis, at a stage when

  1. DNA Computing Complexity Analysis Using DNA/DNA Hybridization Kinetics

    E-Print Network [OSTI]

    DNA Computing Complexity Analysis Using DNA/DNA Hybridization Kinetics Soo­Yong Shin 1 , Eun Jeong the complexity of DNA computing. The complexity of any computational algorithm is typically measured in terms of time and space. In DNA computing, the time complexity can be measured by the total reaction time

  2. DNA Computing Complexity Analysis Using DNA/DNA Hybridization Kinetics

    E-Print Network [OSTI]

    DNA Computing Complexity Analysis Using DNA/DNA Hybridization Kinetics Soo-Yong Shin1 , Eun Jeong of DNA computing. The complexity of any computational algorithm is typically measured in terms of time and space. In DNA computing, the time complexity can be measured by the total reaction time

  3. Desorption Kinetics of Methanol, Ethanol, and Water from Graphene

    SciTech Connect (OSTI)

    Smith, R. Scott; Matthiesen, Jesper; Kay, Bruce D.

    2014-09-18T23:59:59.000Z

    The desorption kinetics of methanol, ethanol, and water from graphene covered Pt(111) are investigated. The temperature programmed desorption (TPD) spectra for both methanol and ethanol have well-resolved first, second, third, and multilayer layer desorption peaks. The alignment of the leading edges is consistent with zero-order desorption kinetics from all layers. In contrast, for water the first and second layers are not resolved. At low water coverages (< 1 ML) the initial desorption leading edges are aligned but then fall out of alignment at higher temperatures. For thicker water layers (10 to 100 ML), the desorption leading edges are in alignment throughout the desorption of the film. The coverage dependence of the desorption behavoir suggests that at low water coverages the non-alignment of the desorption leading edges is due to water dewetting from the graphene substrate. Kinetic simulations reveal that the experimental results are consistent with zero-order desorption. The simulations also show that fractional order desorption kinetics would be readily apparent in the experimental TPD spectra.

  4. SUPPORTING INFORMATION Dissecting the Kinetic Process of Amyloid Fiber Formation

    E-Print Network [OSTI]

    Zhang, Yang

    eight Type-I amyloid proteins (the yeast prion Sup35 NW region, Csg Btrunc, Ure2 protein, 2SUPPORTING INFORMATION Dissecting the Kinetic Process of Amyloid Fiber Formation through Asymptotic 2 1 , where A represents proteins with specific conformations before fibrillation, B is proteins

  5. Kinetic Model for Motion Compensation in Computed Tomography

    E-Print Network [OSTI]

    1 Kinetic Model for Motion Compensation in Computed Tomography Zhou Yu, Jean-Baptiste Thibault- gorithms have recently been applied to computed tomography and demonstrated superior image quality. MBIR to computed tomography and demonstrated superior image quality performance [1], [2], [3]. These methods

  6. Femtomole Mixer for Microsecond Kinetic Studies of Protein Folding

    E-Print Network [OSTI]

    Michalet, Xavier

    Femtomole Mixer for Microsecond Kinetic Studies of Protein Folding David E. Hertzog,, Xavier a microfluidic mixer for studying protein folding and other reactions with a mixing time of 8 µs and sample) measurements of single-stranded DNA. We also demon- strate the feasibility of measuring fast protein folding

  7. Statistical Analysis of Protein Folding Kinetics Aaron R. Dinner

    E-Print Network [OSTI]

    Dinner, Aaron

    Statistical Analysis of Protein Folding Kinetics Aaron R. Dinner , Sung-Sau So ¡ , and Martin and theoretical studies over several years have led to the emergence of a unified general mechanism for protein folding that serves as a framework for the design and interpretation of research in this area [1

  8. Optimization of a Microfluidic Mixer for Studying Protein Folding Kinetics

    E-Print Network [OSTI]

    Santiago, Juan G.

    Optimization of a Microfluidic Mixer for Studying Protein Folding Kinetics David E. Hertzog with numerical simulations to minimize the mixing time of a microfluidic mixer developed for protein folding reported continuous flow mixer for protein folding. Fast events in protein folding often occur

  9. Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate

    SciTech Connect (OSTI)

    Herbinet, O; Pitz, W J; Westbrook, C K

    2007-09-20T23:59:59.000Z

    A detailed chemical kinetic mechanism has been developed and used to study the oxidation of methyl decanoate, a surrogate for biodiesel fuels. This model has been built by following the rules established by Curran et al. for the oxidation of n-heptane and it includes all the reactions known to be pertinent to both low and high temperatures. Computed results have been compared with methyl decanoate experiments in an engine and oxidation of rapeseed oil methyl esters in a jet stirred reactor. An important feature of this mechanism is its ability to reproduce the early formation of carbon dioxide that is unique to biofuels and due to the presence of the ester group in the reactant. The model also predicts ignition delay times and OH profiles very close to observed values in shock tube experiments fueled by n-decane. These model capabilities indicate that large n-alkanes can be good surrogates for large methyl esters and biodiesel fuels to predict overall reactivity, but some kinetic details, including early CO{sub 2} production from biodiesel fuels, can be predicted only by a detailed kinetic mechanism for a true methyl ester fuel. The present methyl decanoate mechanism provides a realistic kinetic tool for simulation of biodiesel fuels.

  10. Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate

    SciTech Connect (OSTI)

    Herbinet, O; Pitz, W J; Westbrook, C K

    2007-09-17T23:59:59.000Z

    A detailed chemical kinetic mechanism has been developed and used to study the oxidation of methyl decanoate, a surrogate for biodiesel fuels. This model has been built by following the rules established by Curran et al. for the oxidation of n-heptane and it includes all the reactions known to be pertinent to both low and high temperatures. Computed results have been compared with methyl decanoate experiments in an engine and oxidation of rapeseed oil methyl esters in a jet stirred reactor. An important feature of this mechanism is its ability to reproduce the early formation of carbon dioxide that is unique to biofuels and due to the presence of the ester group in the reactant. The model also predicts ignition delay times and OH profiles very close to observed values in shock tube experiments fueled by n-decane. These model capabilities indicate that large n-alkanes can be good surrogates for large methyl esters and biodiesel fuels to predict overall reactivity, but some kinetic details, including early CO2 production from biodiesel fuels, can be predicted only by a detailed kinetic mechanism for a true methyl ester fuel. The present methyl decanoate mechanism provides a realistic kinetic tool for simulation of biodiesel fuels.

  11. Computational Modeling of Pancreatic Cancer Reveals Kinetics of Metastasis

    E-Print Network [OSTI]

    Theory Computational Modeling of Pancreatic Cancer Reveals Kinetics of Metastasis Suggesting and size distribution of metas- tases as well as patient survival. These findings were validated death and one of the most aggressive malignancies in humans, with a five-year relative survival rate

  12. PROCESS SYSTEMS ENGINEERING Design of Flexible Reduced Kinetic Mechanisms

    E-Print Network [OSTI]

    Androulakis, Ioannis (Yannis)

    PROCESS SYSTEMS ENGINEERING Design of Flexible Reduced Kinetic Mechanisms Avinash R. Sirdeshpande and Marianthi G. Ierapetritou Dept. of Chemical and Biochemical Engineering, Rutgers, The State UniversityMobil Research and Engineering, Annandale, NJ 08801 Reduced mechanisms are often used in place of detailed

  13. Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate

    SciTech Connect (OSTI)

    Herbinet, Olivier; Pitz, William J.; Westbrook, Charles K. [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States)

    2008-08-15T23:59:59.000Z

    A detailed chemical kinetic mechanism has been developed and used to study the oxidation of methyl decanoate, a surrogate for biodiesel fuels. This model has been built by following the rules established by Curran and co-workers for the oxidation of n-heptane and it includes all the reactions known to be pertinent to both low and high temperatures. Computed results have been compared with methyl decanoate experiments in an engine and oxidation of rapeseed oil methyl esters in a jet-stirred reactor. An important feature of this mechanism is its ability to reproduce the early formation of carbon dioxide that is unique to biofuels and due to the presence of the ester group in the reactant. The model also predicts ignition delay times and OH profiles very close to observed values in shock tube experiments fueled by n-decane. These model capabilities indicate that large n-alkanes can be good surrogates for large methyl esters and biodiesel fuels to predict overall reactivity, but some kinetic details, including early CO{sub 2} production from biodiesel fuels, can be predicted only by a detailed kinetic mechanism for a true methyl ester fuel. The present methyl decanoate mechanism provides a realistic kinetic tool for simulation of biodiesel fuels. (author)

  14. Kinetics of Silicothermic Reduction of Calcined Dolomite in Flowing Argon

    E-Print Network [OSTI]

    Liley, David

    of Experimental Rig De oxi dat ion Fu rn ac e TC TC Copper Turning Reduction Furnace Argon Gas Condenser Gas wash. Disadvantages: high impurity, high condenser area #12;© Swinburne University of Technology Aim of the project the fundamental physical chemistry Thermodynamic modelling Kinetic analysis High temperature experiments

  15. Progress in an oxygen-carrier reaction kinetics experiment for rotary-bed chemical looping combustion

    E-Print Network [OSTI]

    Jester-Weinstein, Jack (Jack L.)

    2013-01-01T23:59:59.000Z

    The design process for an experimental platform measuring reaction kinetics in a chemical looping combustion (CLC) process is documented and justified. To enable an experiment designed to characterize the reaction kinetics ...

  16. Kinetic isotope and trace element partitioning during calcite precipitation from aqueous solution

    E-Print Network [OSTI]

    Nielsen, Laura Christina

    2012-01-01T23:59:59.000Z

    new overall reaction kinetic expression. Geochim. Cosmochim.a more typical expression for ? st , where the step kineticexpression reduces to the DePaolo (2011) macroscopic model of kinetic

  17. Thesis for the Degree of Licentiate of Engineering A Compartmental Model for Kinetics of

    E-Print Network [OSTI]

    Patriksson, Michael

    Thesis for the Degree of Licentiate of Engineering A Compartmental Model for Kinetics The thesis This licentiate thesis is the mathematical result in an ongoing project in kinetics of lipopro

  18. Application of Genetic Algorithms and Thermogravimetry to Determine the Kinetics of Polyurethane Foam in Smoldering Combustion 

    E-Print Network [OSTI]

    Rein, Guillermo; Lautenberger, Chris; Fernandez-Pello, Carlos; Torero, Jose L; Urban, David

    In this work, the kinetic parameters governing the thermal and oxidative degradation of flexible polyurethane foam are determined using thermogravimetric data and a genetic algorithm. These kinetic parameters are needed ...

  19. Charge transport in micas: The kinetics of FeII/III electron...

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

    transport in micas: The kinetics of FeIIIII electron transfer in the octahedral sheet. Charge transport in micas: The kinetics of FeIIIII electron transfer in the octahedral...

  20. A comparison of the point kinetics equations with the QUANDRY analytic nodal diffusion method

    E-Print Network [OSTI]

    Velasquez, Arthur

    1993-01-01T23:59:59.000Z

    The point kinetics equations were incorporated into QUANDRY, a nuclear reactor analysis computer program which uses the analytic nodal method to solve the neutron diffusion equation. Both the point kinetics equations, solved using the IMSL MATH...

  1. Zeolitic Imidazolate Frameworks for Kinetic Separation of Propane and David H. Olson,

    E-Print Network [OSTI]

    Li, Jing

    Zeolitic Imidazolate Frameworks for Kinetic Separation of Propane and Propene Kunhao Li, David H the first examples of MMOFs that are capable of kinetic separation of propane and propene (propylene), which

  2. Detailed chemical kinetic mechanism for the oxidation of biodiesel fuels blend surrogate

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    1 Detailed chemical kinetic mechanism for the oxidation of biodiesel fuels blend surrogate of biodiesel fuels in diesel and homogeneous charge compression ignition engines. Keywords: Methyl decanoate; Methyl decenoate; Surrogate; Oxidation; Biodiesel fuels; Kinetic modeling; Engine; Low

  3. Extension of the quantum-kinetic model to lunar and Mars return physics

    SciTech Connect (OSTI)

    Liechty, D. S. [Aerothermodynamics Branch, NASA Langley Research Center, Hampton, Virginia 23681 (United States)] [Aerothermodynamics Branch, NASA Langley Research Center, Hampton, Virginia 23681 (United States); Lewis, M. J. [Department of Aerospace Engineering, University of Maryland, College Park, Maryland 20742 (United States)] [Department of Aerospace Engineering, University of Maryland, College Park, Maryland 20742 (United States)

    2014-02-15T23:59:59.000Z

    The ability to compute rarefied, ionized hypersonic flows is becoming more important as missions such as Earth reentry, landing high-mass payloads on Mars, and the exploration of the outer planets and their satellites are being considered. A recently introduced molecular-level chemistry model, the quantum-kinetic, or Q-K, model that predicts reaction rates for gases in thermal equilibrium and non-equilibrium using only kinetic theory and fundamental molecular properties, is extended in the current work to include electronic energy level transitions and reactions involving charged particles. Like the Q-K procedures for neutral species chemical reactions, these new models are phenomenological procedures that aim to reproduce the reaction/transition rates but do not necessarily capture the exact physics. These engineering models are necessarily efficient due to the requirement to compute billions of simulated collisions in direct simulation Monte Carlo (DSMC) simulations. The new models are shown to generally agree within the spread of reported transition and reaction rates from the literature for near equilibrium conditions.

  4. Boundary Conditions of the Hydro-Cascade Model and Relativistic Kinetic Equations for Finite Domains

    E-Print Network [OSTI]

    K. A. Bugaev

    2004-01-29T23:59:59.000Z

    A detailed analysis of the coupled relativistic kinetic equations for two domains separated by a hypersurface having both space- and time-like parts is presented. Integrating the derived set of transport equations, we obtain the correct system of the hydro+cascade equations to model the relativistic nuclear collision process. Remarkably, the conservation laws on the boundary between domains conserve separately both the incoming and outgoing components of energy, momentum and baryonic charge. Thus, the relativistic kinetic theory generates twice the number of conservation laws compared to traditional hydrodynamics. Our analysis shows that these boundary conditions between domains, the three flux discontinuity, can be satisfied only by a special superposition of two cut-off distribution functions for the ``out'' domain. All these results are applied to the case of the phase transition between quark gluon plasma and hadronic matter. The possible consequences for an improved hydro+cascade description of the relativistic nuclear collisions are discussed. The unique properties of the three flux discontinuity and their effect on the space-time evolution of the transverse expansion are also analyzed. The possible modifications of both transversal radii from pion correlations generated by a correct hydro+cascade approach are discussed.

  5. KINETIC MODELING OF PARTICLE ACCELERATION IN A SOLAR NULL-POINT RECONNECTION REGION

    SciTech Connect (OSTI)

    Baumann, G.; Haugbolle, T.; Nordlund, A., E-mail: gbaumann@nbi.ku.dk [Niels Bohr Institute, University of Copenhagen, Juliane Maries Vej 30, DK-2100 Copenhagen (Denmark)

    2013-07-10T23:59:59.000Z

    The primary focus of this paper is on the particle acceleration mechanism in solar coronal three-dimensional reconnection null-point regions. Starting from a potential field extrapolation of a Solar and Heliospheric Observatory (SOHO) magnetogram taken on 2002 November 16, we first performed magnetohydrodynamics (MHD) simulations with horizontal motions observed by SOHO applied to the photospheric boundary of the computational box. After a build-up of electric current in the fan plane of the null point, a sub-section of the evolved MHD data was used as initial and boundary conditions for a kinetic particle-in-cell model of the plasma. We find that sub-relativistic electron acceleration is mainly driven by a systematic electric field in the current sheet. A non-thermal population of electrons with a power-law distribution in energy forms in the simulated pre-flare phase, featuring a power-law index of about -1.78. This work provides a first step toward bridging the gap between macroscopic scales on the order of hundreds of Mm and kinetic scales on the order of centimeter in the solar corona, and explains how to achieve such a cross-scale coupling by utilizing either physical modifications or (equivalent) modifications of the constants of nature. With their exceptionally high resolution-up to 135 billion particles and 3.5 billion grid cells of size 17.5 km-these simulations offer a new opportunity to study particle acceleration in solar-like settings.

  6. Kinetic Formulation of the Kohn-Sham Equations for ab initio Electronic Structure Calculations

    E-Print Network [OSTI]

    Mendoza, M; Herrmann, H J

    2013-01-01T23:59:59.000Z

    We introduce a new approach to density functional theory based on kinetic theory, showing that the Kohn-Sham equations can be derived as a macroscopic limit of a suitable Boltzmann kinetic equation in the limit of small mean free path versus the typical scale of density gradients (Chapman-Enskog expansion). To derive the approach, we first write the Schr\\"odinger equation as a special case of a Boltzmann equation for a gas of quasi-particles, with the potential playing the role of an external source that generates and destroys particles, so as to drive the system towards the ground state. The ions are treated as classical particles, using the Born-Oppenheimer dynamics, or by imposing concurrent evolution with the electronic orbitals. In order to provide quantitative support to our approach, we implement a discrete (lattice) model and compute, the exchange and correlation energies of simple atoms, and the geometrical configuration of the methane molecule. Excellent agreement with values in the literature is fo...

  7. Kinetic modeling of petroleum formation in the Maracaibo Basin: Final report, Annex 12

    SciTech Connect (OSTI)

    Burnham, A.K.; Braun, R.L.; Sweeney, J.J.; Reynolds, J.G. [Lawrence Livermore National Lab., CA (United States); Vallejos, C.; Talukdar, S. [INTEVEP, Filial de Petroleos de Venezuela, SA, Caracas (Venezuela)

    1992-07-01T23:59:59.000Z

    The purpose of this project is to develop and test improved kinetic models of petroleum generation and cracking, pore pressure buildup, and fluid expulsion. The work was performed jointly between Lawrence Livermore National Laboratory and Research Organization of the Venezuelan National Petroleum Company under Annex 12 of an agreement between DOE and the Venezuelan Ministry of Energy and Mines. Laboratory experiments were conducted at both LLNL and INTEVEP to obtain the reaction rate and product composition information needed to develop chemical kinetic models. Experiments at INTEVEP included hydrous pyrolysis and characterization of oils by gas and liquid chromatography. Experiments at LLNL included programmed pyrolysis in open and self-purging reactors, sometimes including on-line gas analysis by tandem mass spectrometry, and characterization of oils by gas chromatography and nuclear magnetic resonance. The PMOD code was used to develop a detailed pyrolysis mechanism from the extensive laboratory data. This mechanism is able to predict yield of bitumen, oil, and gas as a function of time and temperature for such diverse laboratory conditions as hydrous pyrolysis and rapid, programmed, open pyrolysis. PMOD calculations were compared to geologic observations for 22 wells in the Maracaibo basin. When permeability parameters are chosen to match calculated pore pressures with measured present day values, the PMOD calculations indicate that organic maturation reactions contribute a significant fraction of the overpressure during oil generation and early oil cracking. Calculations agreed with observed geochemical maturity parameters of the source rock. 37 refs., 64 figs., 20 tabs.

  8. APOLLO: A computer program for the calculation of chemical equilibrium and reaction kinetics of chemical systems

    SciTech Connect (OSTI)

    Nguyen, H.D.

    1991-11-01T23:59:59.000Z

    Several of the technologies being evaluated for the treatment of waste material involve chemical reactions. Our example is the in situ vitrification (ISV) process where electrical energy is used to melt soil and waste into a ``glass like`` material that immobilizes and encapsulates any residual waste. During the ISV process, various chemical reactions may occur that produce significant amounts of products which must be contained and treated. The APOLLO program was developed to assist in predicting the composition of the gases that are formed. Although the development of this program was directed toward ISV applications, it should be applicable to other technologies where chemical reactions are of interest. This document presents the mathematical methodology of the APOLLO computer code. APOLLO is a computer code that calculates the products of both equilibrium and kinetic chemical reactions. The current version, written in FORTRAN, is readily adaptable to existing transport programs designed for the analysis of chemically reacting flow systems. Separate subroutines EQREACT and KIREACT for equilibrium ad kinetic chemistry respectively have been developed. A full detailed description of the numerical techniques used, which include both Lagrange multiplies and a third-order integrating scheme is presented. Sample test problems are presented and the results are in excellent agreement with those reported in the literature.

  9. APOLLO: A computer program for the calculation of chemical equilibrium and reaction kinetics of chemical systems

    SciTech Connect (OSTI)

    Nguyen, H.D.

    1991-11-01T23:59:59.000Z

    Several of the technologies being evaluated for the treatment of waste material involve chemical reactions. Our example is the in situ vitrification (ISV) process where electrical energy is used to melt soil and waste into a glass like'' material that immobilizes and encapsulates any residual waste. During the ISV process, various chemical reactions may occur that produce significant amounts of products which must be contained and treated. The APOLLO program was developed to assist in predicting the composition of the gases that are formed. Although the development of this program was directed toward ISV applications, it should be applicable to other technologies where chemical reactions are of interest. This document presents the mathematical methodology of the APOLLO computer code. APOLLO is a computer code that calculates the products of both equilibrium and kinetic chemical reactions. The current version, written in FORTRAN, is readily adaptable to existing transport programs designed for the analysis of chemically reacting flow systems. Separate subroutines EQREACT and KIREACT for equilibrium ad kinetic chemistry respectively have been developed. A full detailed description of the numerical techniques used, which include both Lagrange multiplies and a third-order integrating scheme is presented. Sample test problems are presented and the results are in excellent agreement with those reported in the literature.

  10. Guest Molecule Exchange Kinetics for the 2012 Ignik Sikumi Gas Hydrate Field Trial

    SciTech Connect (OSTI)

    White, Mark D.; Lee, Won Suk

    2014-05-14T23:59:59.000Z

    A commercially viable technology for producing methane from natural gas hydrate reservoirs remains elusive. Short-term depressurization field tests have demonstrated the potential for producing natural gas via dissociation of the clathrate structure, but the long-term performance of the depressurization technology ultimately requires a heat source to sustain the dissociation. A decade of laboratory experiments and theoretical studies have demonstrated the exchange of pure CO2 and N2-CO2 mixtures with CH4 in sI gas hydrates, yielding critical information about molecular mechanisms, recoveries, and exchange kinetics. Findings indicated the potential for producing natural gas with little to no production of water and rapid exchange kinetics, generating sufficient interest in the guest-molecule exchange technology for a field test. In 2012 the U.S. DOE/NETL, ConocoPhillips Company, and Japan Oil, Gas and Metals National Corporation jointly sponsored the first field trial of injecting a mixture of N2-CO2 into a CH4-hydrate bearing formation beneath the permafrost on the Alaska North Slope. Known as the Ignik Sikumi #1 Gas Hydrate Field Trial, this experiment involved three stages: 1) the injection of a N2-CO2 mixture into a targeted hydrate-bearing layer, 2) a 4-day pressurized soaking period, and 3) a sustained depressurization and fluid production period. Data collected during the three stages of the field trial were made available after an extensive quality check. These data included continuous temperature and pressure logs, injected and recovered fluid compositions and volumes. The Ignik Sikumi #1 data set is extensive, but contains no direct evidence of the guest-molecule exchange process. This investigation is directed at using numerical simulation to provide an interpretation of the collected data. A numerical simulator, STOMP-HYDT-KE, was recently completed that solves conservation equations for energy, water, mobile fluid guest molecules, and hydrate guest molecules, for up to three gas hydrate guest molecules: CH4, CO2, and N2. The independent tracking of mobile fluid and hydrate guest molecules allows for the kinetic exchange of guest molecules between the mobile fluids and hydrate. The particular interest of this numerical investigation is to determine whether kinetic exchange parameters, determined from laboratory-scale experiments, are directly applicable to interpreting the Ignik Sikumi #1 data.

  11. Zero Energy Travel

    E-Print Network [OSTI]

    Othman Ahmad; Aroland Kiring; Ali Chekima

    2012-10-17T23:59:59.000Z

    It is fundamentally possible to travel with zero energy based on Newton Laws of Motion. According to the first law of motion, a body will continue to travel for infinite distance unless it is acted upon by another force. For a body in motion, the force which stops perpetual motion is friction. However, there are many circumstances that friction is zero, for example in space, where there is vacuum. On earth, gravity makes objects to be in constant contact with each other generating friction but technology exists to separate them in the air using powerful magnetic forces. At low speeds, the friction caused by air is minimal but we can create vacuum even on land for high speed travel. Another condition for travelling is for it to stop at its destination. On land, we can recover the kinetic energy back into electrical energy using brushless permanent magnet generators. These generators can also convert electric energy into kinetic energy in order to provide motion. This article reviews technologies that will allow us to travel with zero energy. It is easier to do it on land but in the air, it is not obvious.

  12. CHAPTER 5. PLASMA DESCRIPTIONS I: KINETIC, TWO-FLUID 1 Plasma Descriptions I

    E-Print Network [OSTI]

    Callen, James D.

    CHAPTER 5. PLASMA DESCRIPTIONS I: KINETIC, TWO-FLUID 1 Chapter 5 Plasma Descriptions I: Kinetic, Two-Fluid Descriptions of plasmas are obtained from extensions of the kinetic theory of gases of charged particles in the plasma, and because the electric and magnetic fields in the plasma must

  13. Determination of kinetic parameters in laminar flow reactors. I. Theoretical aspects

    E-Print Network [OSTI]

    is the numerical evaluation of kinetic data, obtained from controlled experiments in a flow reactorDetermination of kinetic parameters in laminar flow reactors. I. Theoretical aspects T. Carraro1- mization of chemical flow reactors. The goal is the reliable determination of unknown kinetic parameters

  14. Evidence for Kinetic Inhomogeneity in the Curing of Epoxy Using the Near-Infrared Multispectral

    E-Print Network [OSTI]

    Reid, Scott A.

    1881, Milwaukee, Wisconsin 53201 The kinetics of curing of an epoxy resin by amine was studied usingEvidence for Kinetic Inhomogeneity in the Curing of Epoxy Using the Near-Infrared Multispectral. The kinetics of curing of epoxy by amine, determined by this multispectral imaging instrument, show

  15. Using Stochastic Roadmap Simulation to Predict Experimental Quantities in Protein Folding Kinetics: Folding Rates and

    E-Print Network [OSTI]

    Pratt, Vaughan

    Using Stochastic Roadmap Simulation to Predict Experimental Quantities in Protein Folding Kinetics for studying protein folding kinetics. It uses the recently intro- duced Stochastic Roadmap Simulation (SRS validate the SRS method and indicate its potential as a general tool for studying protein folding kinetics

  16. Doppler-resolved kinetics of saturation recovery

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

    Forthomme, Damien; Hause, Michael L.; Yu, Hua-Gen; Dagdigian, Paul J.; Sears, Trevor J.; Hall, Gregory E.

    2015-04-08T23:59:59.000Z

    Frequency modulated laser transient absorption has been used to monitor the ground state rotational energy transfer rates of CN radicals in a double-resonance, depletion recovery experiment. When a pulsed laser is used to burn a hole in the equilibrium ground state population of one rotational state without velocity selection, the population recovery rate is found to depend strongly on the Doppler detuning of a narrow-band probe laser. Similar effects should be apparent for any relaxation rate process that competes effectively with velocity randomization. Alternative methods of extracting thermal rate constants in the presence of these non-thermal conditions are evaluated. Totalmore »recovery rate constants, analogous to total removal rate constants in an experiment preparing a single initial rotational level, are in good agreement with quantum scattering calculations, but are slower than previously reported experiments and show qualitatively different rotational state dependence between Ar and He collision partners. Quasi-classical trajectory studies confirm that the differing rotational state dependence is primarily a kinematic effect.« less

  17. Ion Exchange Kinetics Testing with SRF Resin

    SciTech Connect (OSTI)

    Russell, Renee L.; Rinehart, Donald E.; Brown, Garrett N.; Schonewill, Philip P.; Peterson, Reid A.

    2012-04-01T23:59:59.000Z

    The U.S. Department of Energy (DOE) Hanford Site contains more than 53 million gallons of legacy waste generated as a byproduct of plutonium production and reprocessing operations. The wastes are a complex mixture composed mostly of NaNO3, NaNO2, NaOH, NaAlO2, Na3PO4, and Na2SO4, with a number of minor and trace metals, organics, and radionuclides stored in underground waste tanks. The DOE Office of River Protection (ORP) has contracted Bechtel National Incorporated (BNI) to build a pretreatment facility, the River Protection Project-Waste Treatment Plant (RPP-WTP), that will separate long-lived transuranics (TRU) and highly radioactive components (specifically 137Cs and, in selected cases, 90Sr) from the bulk (non-radioactive) constituents and immobilize the wastes by vitrification. The plant is designed to produce two waste streams: a high-volume low-activity waste (LAW) and a low-volume high-activity waste (HLW).

  18. Doppler-resolved kinetics of saturation recovery

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

    Forthomme, Damien [Brookhaven National Lab. (BNL), Upton, NY (United States); Hause, Michael L. [Brookhaven National Lab. (BNL), Upton, NY (United States); Yu, Hua-Gen [Brookhaven National Lab. (BNL), Upton, NY (United States); Dagdigian, Paul J. [John Hopkins Univ., Baltimore, MD (United States); Sears, Trevor J. [Brookhaven National Lab. (BNL), Upton, NY (United States); Stony Brook Univ., Stony Brook, NY (United States); Hall, Gregory E. [Brookhaven National Lab. (BNL), Upton, NY (United States)

    2015-04-08T23:59:59.000Z

    Frequency modulated laser transient absorption has been used to monitor the ground state rotational energy transfer rates of CN radicals in a double-resonance, depletion recovery experiment. When a pulsed laser is used to burn a hole in the equilibrium ground state population of one rotational state without velocity selection, the population recovery rate is found to depend strongly on the Doppler detuning of a narrow-band probe laser. Similar effects should be apparent for any relaxation rate process that competes effectively with velocity randomization. Alternative methods of extracting thermal rate constants in the presence of these non-thermal conditions are evaluated. Total recovery rate constants, analogous to total removal rate constants in an experiment preparing a single initial rotational level, are in good agreement with quantum scattering calculations, but are slower than previously reported experiments and show qualitatively different rotational state dependence between Ar and He collision partners. Quasi-classical trajectory studies confirm that the differing rotational state dependence is primarily a kinematic effect.

  19. Wind Energy Development and its Impacts on Wildlife

    E-Print Network [OSTI]

    Gray, Matthew

    1 Wind Energy Development and its Impacts on Wildlife Carrie Lowe, M.S. Candidate UniversityOutline · Introduction · Wind energy in the U.S. I t ildlif· Impacts on wildlife · Guidelines · Future directions · References IntroductionIntroduction What is wind energy? · The process by which turbines convert the kinetic

  20. The idea of vortex energy

    E-Print Network [OSTI]

    V. E. Shapiro

    2011-09-22T23:59:59.000Z

    This work formulates and gives grounds for general principles and theorems that question the energy function doctrine and its quantum version as a genuine law of nature without borders of adequacy. The emphasis is on the domain where the energy of systems is conserved -- I argue that only in its tiny part the energy is in the kinetic, potential and thermal forms describable by a generalized thermodynamic potential, whereas otherwise the conserved energy constitutes a whole linked to vortex forces, and can be a factor of things like persistent currents and dark matter.

  1. Electro-hydrodynamics and kinetic modelling of polluted air flow activated by multi-tip-to-plane corona discharge

    SciTech Connect (OSTI)

    Meziane, M.; Eichwald, O.; Ducasse, O.; Marchal, F. [Universite de Toulouse, UPS, INPT, LAPLACE (Laboratoire Plasma et Conversion d'Energie), Toulouse Cedex 9 F-31062 (France); Sarrette, J. P.; Yousfi, M. [Universite de Toulouse, UPS, INPT, LAPLACE (Laboratoire Plasma et Conversion d'Energie), Toulouse Cedex 9 F-31062 (France); CNRS, LAPLACE, Toulouse F-31062 (France)

    2013-04-21T23:59:59.000Z

    The present paper is devoted to the 2D simulation of an Atmospheric Corona Discharge Reactor (ACDR) involving 10 pins powered by a DC high voltage and positioned 7 mm above a grounded metallic plane. The corona reactor is periodically crossed by thin mono filamentary streamers with a natural repetition frequency of some tens of kHz. The simulation involves the electro-dynamic, chemical kinetic, and neutral gas hydrodynamic phenomena that influence the kinetics of the chemical species transformation. Each discharge stage (including the primary and the secondary streamers development and the resulting thermal shock) lasts about one hundred nanoseconds while the post-discharge stages occurring between two successive discharge phases last one hundred microseconds. The ACDR is crossed by a lateral air flow including 400 ppm of NO. During the considered time scale of 10 ms, one hundred discharge/post-discharge cycles are simulated. The simulation involves the radical formation and thermal exchange between the discharges and the background gas. The results show how the successive discharges activate the flow gas and how the induced turbulence phenomena affect the redistribution of the thermal energy and the chemical kinetics inside the ACDR.

  2. MCAMC: An Advanced Algorithm for Kinetic Monte Carlo Simulations: from Magnetization Switching to Protein Folding

    E-Print Network [OSTI]

    M. A. Novotny; Shannon M. Wheeler

    2002-11-02T23:59:59.000Z

    We present the Monte Carlo with Absorbing Markov Chains (MCAMC) method for extremely long kinetic Monte Carlo simulations. The MCAMC algorithm does not modify the system dynamics. It is extremely useful for models with discrete state spaces when low-temperature simulations are desired. To illustrate the strengths and limitations of this algorithm we introduce a simple model involving random walkers on an energy landscape. This simple model has some of the characteristics of protein folding and could also be experimentally realizable in domain motion in nanoscale magnets. We find that even the simplest MCAMC algorithm can speed up calculations by many orders of magnitude. More complicated MCAMC simulations can gain further increases in speed by orders of magnitude.

  3. Improvements in Mixing Time and Mixing Uniformity in Devices Designed for Studies of Protein Folding Kinetics

    SciTech Connect (OSTI)

    Yao, Shuhuai [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Bakajin, Olgica [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2007-08-01T23:59:59.000Z

    Using a microfluidic laminar flow mixer designed for studies of protein folding kinetics, we demonstrate a mixing time of 1 +/- 1 micros with sample consumption on the order of femtomoles. We recognize two limitations of previously proposed designs: (1) size and shape of the mixing region, which limits mixing uniformity and (2) the formation of Dean vortices at high flow rates, which limits the mixing time. We address these limitations by using a narrow shape-optimized nozzle and by reducing the bend of the side channel streamlines. The final design, which combines both of these features, achieves the best performance. We quantified the mixing performance of the different designs by numerical simulation of coupled Navier-Stokes and convection-diffusion equations and experiments using fluorescence resonance energy-transfer (FRET)-labeled DNA.

  4. Titanium tritide radioisotope heat source development : palladium-coated titanium hydriding kinetics and tritium loading tests.

    SciTech Connect (OSTI)

    Van Blarigan, Peter; Shugard, Andrew D.; Walters, R. Tom (Savannah River National Labs, Aiken, SC)

    2012-01-01T23:59:59.000Z

    We have found that a 180 nm palladium coating enables titanium to be loaded with hydrogen isotopes without the typical 400-500 C vacuum activation step. The hydriding kinetics of Pd coated Ti can be described by the Mintz-Bloch adherent film model, where the rate of hydrogen absorption is controlled by diffusion through an adherent metal-hydride layer. Hydriding rate constants of Pd coated and vacuum activated Ti were found to be very similar. In addition, deuterium/tritium loading experiments were done on stacks of Pd coated Ti foil in a representative-size radioisotope heat source vessel. The experiments demonstrated that such a vessel could be loaded completely, at temperatures below 300 C, in less than 10 hours, using existing department-of-energy tritium handling infrastructure.

  5. Impact of Biodiesel on the Oxidation Kinetics and Morphology of Diesel Particulate

    SciTech Connect (OSTI)

    Strzelec, Andrea [ORNL] [ORNL; Toops, Todd J [ORNL] [ORNL; Daw, C Stuart [ORNL] [ORNL

    2011-01-01T23:59:59.000Z

    We compare the oxidation characteristics of four different diesel particulates generated with a modern light-duty engine. The four particulates represent engine fueling with conventional ultra-low sulfur diesel (ULSD), biodiesel, and two intermediate blends of these fuels. The comparisons discussed here are based on complementary measurements implemented in a laboratory micro-reactor, including temperature programmed desorption and oxidation, pulsed isothermal oxidation, and BET surface area. From these measurements we have derived models that are consistent with the observed oxidation reactivity differences. When accessible surface area effects are properly accounted for, the oxidation kinetics of the fixed carbon components were found to consistently exhibit an Arrhenius activation energy of 113 6 kJ/mol. Release of volatile carbon from the as-collected particulate appears to follow a temperaturedependent rate law.

  6. PHYS 626 --Fundamentals of Plasma Physics --Section 6.4-6.5 1. Using the ideal MHD equation of motion, an energy equation can be derived. It is

    E-Print Network [OSTI]

    Ng, Chung-Sang

    of motion, an energy equation can be derived. It is simply the continuity equation of energy density, which is the sum of kinetic energy density mU2 /2, magnetic energy density B2 /2µ0, and the internal energy density p/( -1). The total energy obtained by integrating the energy density over the whole space

  7. A Pore Scale Evaluation of the Kinetics of Mineral Dissolution and Precipitation Reactions (EMSI)

    SciTech Connect (OSTI)

    Steefel, Carl I.

    2006-06-01T23:59:59.000Z

    The chief goals for CEKA are to (1) collect and synthesize molecular-level kinetic data into a coherent framework that can be used to predict time evolution of environmental processes over a range of temporal and spatial scales; (2) train a cohort of talented and diverse students to work on kinetic problems at multiple scales; (3) develop and promote the use of new experimental techniques in environmental kinetics; (4) develop and promote the use of new modeling tools to conceptualize reaction kinetics in environmental systems; and (5) communicate our understanding of issues related to environmental kinetics and issues of scale to the broader scientific community and to the public.

  8. Proton Kinetic Effects in Vlasov and Solar Wind Turbulence

    E-Print Network [OSTI]

    Servidio, S; Valentini, F; Perrone, D; Califano, F; Chapman, S; Matthaeus, W H; Veltri, P

    2013-01-01T23:59:59.000Z

    Kinetic plasma processes have been investigated in the framework of solar wind turbulence, employing Hybrid Vlasov-Maxwell (HVM) simulations. The dependency of proton temperature anisotropy T_{\\perp}/T_{\\parallel} on the parallel plasma beta \\beta_{\\parallel}, commonly observed in spacecraft data, has been recovered using an ensemble of HVM simulations. By varying plasma parameters, such as plasma beta and fluctuation level, the simulations explore distinct regions of the parameter space given by T_{\\perp}/T_{\\parallel} and \\beta_{\\parallel}, similar to solar wind sub-datasets. Moreover, both simulation and solar wind data suggest that temperature anisotropy is not only associated with magnetic intermittent events, but also with gradient-type structures in the flow and in the density. This connection between non-Maxwellian kinetic effects and various types of intermittency may be a key point for understanding the complex nature of plasma turbulence.

  9. Species separation and kinetic effects in collisional plasma shocks

    SciTech Connect (OSTI)

    Bellei, C., E-mail: bellei1@llnl.gov; Wilks, S. C.; Amendt, P. A. [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550 (United States)] [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550 (United States); Rinderknecht, H.; Zylstra, A.; Rosenberg, M.; Sio, H.; Li, C. K.; Petrasso, R. [Plasma Science and Fusion Center, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States)] [Plasma Science and Fusion Center, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States)

    2014-05-15T23:59:59.000Z

    The properties of collisional shock waves propagating in uniform plasmas are studied with ion-kinetic calculations, in both slab and spherical geometry and for the case of one and two ion species. Despite the presence of an electric field at the shock front—and in contrast to the case where an interface is initially present [C. Bellei et al., Phys. Plasmas 20, 044702 (2013)]—essentially no ion reflection at the shock front is observed due to collisions, with a probability of reflection ?10{sup ?4} for the cases presented. A kinetic two-ion-species spherical convergent shock is studied in detail and compared against an average-species calculation, confirming effects of species separation and differential heating of the ion species at the shock front. The effect of different ion temperatures on the DT and D{sup 3}He fusion reactivity is discussed in the fluid limit and is estimated to be moderately important.

  10. Kinetic approaches to particle acceleration at cosmic ray modified shocks

    E-Print Network [OSTI]

    Elena Amato; Pasquale Blasi; Stefano Gabici

    2008-01-09T23:59:59.000Z

    Kinetic approaches provide an effective description of the process of particle acceleration at shock fronts and allow to take into account the dynamical reaction of the accelerated particles as well as the amplification of the turbulent magnetic field as due to streaming instability. The latter does in turn affect the maximum achievable momentum and thereby the acceleration process itself, in a chain of causality which is typical of non-linear systems. Here we provide a technical description of two of these kinetic approaches and show that they basically lead to the same conclusions. In particular we discuss the effects of shock modification on the spectral shape of the accelerated particles, on the maximum momentum, on the thermodynamic properties of the background fluid and on the escaping and advected fluxes of accelerated particles.

  11. Visualizing kinetic pathways of homogeneous nucleation in colloidal crystallization

    E-Print Network [OSTI]

    Peng Tan; Ning Xu; Lei Xu

    2014-12-18T23:59:59.000Z

    When a system undergoes a transition from a liquid to a solid phase, it passes through multiple intermediate structures before reaching the final state. However, our knowledge on the exact pathways of this process is limited, mainly due to the difficulty of realizing direct observations. Here, we experimentally study the evolution of symmetry and density for various colloidal systems during liquid-to-solid phase transitions, and visualize kinetic pathways with single-particle resolution. We observe the formation of relatively-ordered precursor structures with different symmetries, which then convert into metastable solids. During this conversion, two major cross-symmetry pathways always occur, regardless of the final state and the interaction potential. In addition, we find a broad decoupling of density variation and symmetry development, and discover that nucleation rarely starts from the densest regions. These findings hold for all our samples, suggesting the possibility of finding a unified picture for the complex crystallization kinetics in colloidal systems.

  12. RESOLUTION OF URANIUM ISOTOPES WITH KINETIC PHOSPHORESCENCE ANALYSIS

    SciTech Connect (OSTI)

    Miley, Sarah M.; Hylden, Anne T.; Friese, Judah I.

    2013-04-01T23:59:59.000Z

    This study was conducted to test the ability of the Chemchek™ Kinetic Phosphorescence Analyzer Model KPA-11 with an auto-sampler to resolve the difference in phosphorescent decay rates of several different uranium isotopes, and therefore identify the uranium isotope ratios present in a sample. Kinetic phosphorescence analysis (KPA) is a technique that provides rapid, accurate, and precise determination of uranium concentration in aqueous solutions. Utilizing a pulsed-laser source to excite an aqueous solution of uranium, this technique measures the phosphorescent emission intensity over time to determine the phosphorescence decay profile. The phosphorescence intensity at the onset of decay is proportional to the uranium concentration in the sample. Calibration with uranium standards results in the accurate determination of actual concentration of the sample. Different isotopes of uranium, however, have unique properties which should result in different phosphorescence decay rates seen via KPA. Results show that a KPA is capable of resolving uranium isotopes.

  13. Linear kinetic theory and particle transport in stochastic mixtures. Third year and final report, June 15, 1993--December 14, 1996

    SciTech Connect (OSTI)

    Pomraning, G.C.

    1997-05-01T23:59:59.000Z

    The goal in this research was to continue the development of a comprehensive theory of linear transport/kinetic theory in a stochastic mixture of solids and immiscible fluids. Such a theory should predict the ensemble average and higher moments, such as the variance, of the particle or energy density described by the underlying transport/kinetic equation. The statistics studied correspond to N-state discrete random variables for the interaction coefficients and sources, with N denoting the number of components in the mixture. The mixing statistics considered were Markovian as well as more general statistics. In the absence of time dependence and scattering, the theory is well developed and described exactly by the master (Liouville) equation for Markovian mixing, and by renewal equations for non-Markovian mixing. The intent of this research was to generalize these treatments to include both time dependence and scattering. A further goal of this research was to develop approximate, but simpler, models from any comprehensive theory. In particular, a specific goal was to formulate a renormalized transport/kinetic theory of the usual nonstochastic form, but with effective interaction coefficients and sources to account for the stochastic nature of the problem. In the three and one-half year period of research summarized in this final report, they have made substantial progress in the development of a comprehensive theory of kinetic processes in stochastic mixtures. This progress is summarized in 16 archival journal articles, 7 published proceedings papers, and 2 comprehensive review articles. In addition, 17 oral presentations were made describing these research results.

  14. A microrheological study of hydrogel kinetics and micro-heterogeneity

    E-Print Network [OSTI]

    Aufderhorst-Roberts, Anders; Frith, William J.; Donald, Athene M.

    2014-05-27T23:59:59.000Z

    such as peptides capped with pyrene [10] and naphthalene [11]. By far the most studied group of aromatic peptide conjugates are pep- tides capped with the fluorenylmethyloxycarbonyl moiety a Present address: School of Physics and Astronomy, E. C. Stoner building... applications include the kinetics of formation [18] and the spatial heterogeneity of the hydrogel network [19]. Un- derstanding the former is essential when designing so- called smart systems that gel under pre-specified condi- tions [20], whereas the latter...

  15. Drift kinetic Alfvén wave in temperature anisotropic plasma

    SciTech Connect (OSTI)

    Naim, Hafsa, E-mail: roohi-phy@yahoo.com; Bashir, M. F. [Salam Chair in Physics, G. C. University Lahore, Katchery Road, Lahore 54000 (Pakistan) [Salam Chair in Physics, G. C. University Lahore, Katchery Road, Lahore 54000 (Pakistan); Department of Physics, G. C. University Lahore, Katchery Road, Lahore 54000 (Pakistan); Murtaza, G. [Salam Chair in Physics, G. C. University Lahore, Katchery Road, Lahore 54000 (Pakistan)] [Salam Chair in Physics, G. C. University Lahore, Katchery Road, Lahore 54000 (Pakistan)

    2014-03-15T23:59:59.000Z

    By using the gyrokinetic theory, the kinetic Alfvén waves (KAWs) are discussed to emphasize the drift effects through the density inhomogeneity and the temperature anisotropy on their dispersion characteristics. The dependence of stabilization mechanism of the drift-Alfvén wave instability on the temperature anisotropy is highlighted. The estimate of the growth rate and the threshold condition for a wide range of parameters are also discussed.

  16. Adiabatic trapping in coupled kinetic Alfven-acoustic waves

    SciTech Connect (OSTI)

    Shah, H. A.; Ali, Z. [Department of Physics, G.C. University, 54000 Lahore (Pakistan); Masood, W. [COMSATS, Institute of Information Technology, Park Road, Chak Shahzad, Islamabad 44000 (Pakistan); National Centre for Physics (NCP), Shahdara Valley Road, 44000 Islamabad (Pakistan); Theoretical Plasma Physics Division, P. O. Nilore, Islamabad (Pakistan)

    2013-03-15T23:59:59.000Z

    In the present work, we have discussed the effects of adiabatic trapping of electrons on obliquely propagating Alfven waves in a low {beta} plasma. Using the two potential theory and employing the Sagdeev potential approach, we have investigated the existence of arbitrary amplitude coupled kinetic Alfven-acoustic solitary waves in both the sub and super Alfvenic cases. The results obtained have been analyzed and presented graphically and can be applied to regions of space where the low {beta} assumption holds true.

  17. Tolman's law in linear irreversible thermodynamics: a kinetic theory approach

    E-Print Network [OSTI]

    A. Sandoval-Villalbazo; A. L. Garcia-Perciante; D. Brun-Battistini

    2012-07-10T23:59:59.000Z

    In this paper it is shown that Tolman's law can be derived from relativistic kinetic theory applied to a simple fluid in a BGK-like approximation. Using this framework, it becomes clear that the contribution of the gravitational field can be viewed as a cross effect that resembles the so-called \\emph{Thomson effect} in irreversible thermodynamics. A proper generalization of Tolman's law in an inhomogeneous medium is formally established based on these grounds.

  18. On the Physics of Kinetic-Alfven Turbulence

    E-Print Network [OSTI]

    Boldyrev, Stanislav

    2013-01-01T23:59:59.000Z

    Observations reveal nearly power-law spectra of magnetic and density plasma fluctuations at subproton scales in the solar wind, which indicates the presence of a turbulent cascade. We discuss the three-field and two-field models for micro-scale plasma fluctuations, and then present the results of numerical simulations of a two-field model of kinetic-Alfven turbulence, which models plasma motion at sub-proton scales.

  19. Zinc Adsorption Effects on Arsenite Oxidation Kinetics at the

    E-Print Network [OSTI]

    Sparks, Donald L.

    Zinc Adsorption Effects on Arsenite Oxidation Kinetics at the Birnessite-Water Interface L A U R), directly oxidized As(III). However, these studies did not explore the role that cation adsorption has on As at the birnessite-water interface were investigated using batch adsorption experiments (0.1 g L-1; pH 4.5 and 6.0; I

  20. Oxidation kinetics of by-product calcium sulfite

    E-Print Network [OSTI]

    Othman, Hasliza

    1992-01-01T23:59:59.000Z

    of Department) May 1992 ABSTRACT Oxidation Kinetics of By-product Calcium Sulfite. (May 1992) Hasliza Othman, B. S. , Texas A&M University Chair of Advisory Committee: Dr. Ahmed M. Gadalla The by-products obtained from the flue gas desulfurization (FGD..., suggestions and encouragement. TABLE OF CONTENTS CHAPTER Page I INTRODUCTION I I LITERATURE REVIEW A. Limestone Flue Gas Desulfurization Process . . . . . . . . . . . . B. Scaling Problem in the FGD Process...

  1. Nonlinear simplified model to study localization of kinetic Alfvén wave

    SciTech Connect (OSTI)

    Sharma, R. P., E-mail: rpsharma@ces.iitd.ac.in; Gaur, Nidhi, E-mail: nidhiphysics@gmail.com [Centre for Energy Studies, Indian Institute of Technology, Delhi 110016 (India)] [Centre for Energy Studies, Indian Institute of Technology, Delhi 110016 (India)

    2014-04-15T23:59:59.000Z

    We have presented the numerical simulation of the coupled equations governing the dynamics of kinetic Alfvén wave (KAW) and ion acoustic wave in the intermediate ? plasma, where ? is the ratio of thermal pressure to the background magnetic pressure. We have also developed a simplified model for this nonlinear interaction using the results obtained from the simulation to understand the physics of nonlinear evolution of KAW. Localization of magnetic field intensity of KAW has been studied by means of the simplified model.

  2. Chemical Kinetic Modeling of Combustion of Automotive Fuels

    SciTech Connect (OSTI)

    Pitz, W J; Westbrook, C K; Silke, E J

    2006-11-10T23:59:59.000Z

    The objectives of this report are to: (1) Develop detailed chemical kinetic reaction models for components of fuels, including olefins and cycloalkanes used in diesel, spark-ignition and HCCI engines; (2) Develop surrogate mixtures of hydrocarbon components to represent real fuels and lead to efficient reduced combustion models; and (3) Characterize the role of fuel composition on production of emissions from practical automotive engines.

  3. A kinetic model for the liquefaction of Texas lignite 

    E-Print Network [OSTI]

    Haley, Sandra Kay

    1980-01-01T23:59:59.000Z

    the Wilcox formation was uti- lized. Previous dissolution studies were conducted with bituminous ard subbituminous coals mined in other states. Secondly, the methods This thesis follows the style of the AIChE Journal. of analysis employed on the reaction... conditions, coal characteristics, catalyst effects), others delved into the kinetics and attempted to model their systems. Wiser (1968) utilized a Utah high-volatile bituminous coal and conducted thermal dissolution studies at temperatures ranging from...

  4. KINETICS OF HOT-GAS DESULFURIZATION SORBENTS FOR TRANSPORT REACTORS

    SciTech Connect (OSTI)

    K.C. Kwon

    2002-01-01T23:59:59.000Z

    Hot-gas desulfurization for the integrated gasification combined cycle (IGCC) process has been investigated by many researchers to remove effectively hydrogen sulfide with various metal oxide sorbents at elevated temperatures. Various metal oxide sorbents are formulated with metal oxides such as Fe, Co, Zn, and Ti. Initial reaction kinetics of formulated sorbents with hydrogen sulfide is studied in the presence of various amounts of moisture and hydrogen at various reaction temperatures. The objectives of this research are to study initial reaction kinetics for a sorbent-hydrogen sulfide heterogeneous reaction system, to investigate effects of concentrations of hydrogen sulfide, hydrogen, and moisture on dynamic absorption of H{sub 2}S into sorbents, and to evaluate effects of temperature and sorbent amounts on dynamic absorption of H{sub 2}S into sorbents. Experimental data on initial reaction kinetics of hydrogen sulfide with metal oxide sorbents were obtained with a 0.83-cm{sup 3} differential reactor. The reactivity of MCRH-67 was examined in this report. This sorbent was obtained from the Research Triangle Institute (RTI). The sorbent in the form of 130 mm particles are reacted with 18000-ppm hydrogen sulfide at 350-525 C. The range of space time of reaction gas mixtures is 0.069-0.088 s. The range of reaction duration is 4-180 s.

  5. Einstein static Universe in non-minimal kinetic coupled gravity

    E-Print Network [OSTI]

    K. Atazadeh; F. Darabi

    2015-04-18T23:59:59.000Z

    We study the stability of Einstein static Universe, with FLRW metric, by considering linear homogeneous perturbations in the kinetic coupled gravity. By taking linear homogeneous perturbations, we find that the stability of Einstein static Universe, in the kinetic coupled gravity with quadratic scalar field potential, for closed ($K=1$) isotropic and homogeneous FLRW Universe depends on the coupling parameters $\\kappa$ and $\\varepsilon$. Specifically, for $\\kappa=L_P^2$ and $\\varepsilon=1$ we find that the stability condition imposes the inequality $a_0>\\sqrt{3}L_P$ on the initial size $a_0$ of the closed Einstein static Universe before the inflation. Such inequality asserts that the initial size of the Einstein static Universe must be greater than the Planck length $L_P$, in consistency with the quantum gravity and quantum cosmology requirements. In this way, we have determined the non-minimal coupling parameter $\\kappa$ in the context of Einstein static Universe. Such a very small parameter is favored in the inflationary models constructed in the kinetic coupled gravity. We have also studied the stability against the vector and tensor perturbations and discussed on the acceptable values of the equation of state parameter.

  6. Kinetics of adsorption of uranium from seawater by humic acids

    SciTech Connect (OSTI)

    Heitkamp, D. (Institut fuer Chemie Der Kernforschungsanlage Juelich (West Germany)); Wagener, K. (Lehrstuhl fuer Biophysik der Technischen Hochschule, Aachen (West Germany))

    1990-04-01T23:59:59.000Z

    The kinetics of the adsorption of uranium from seawater by humic acids fixed onto a polymer matrix was measured in a fluidized bed as a function of the grain size of the adsorbent and the flow velocity of the seawater. The adsorption rate was found to be governed by the diffusion of the uranium ions through the hydrodynamic surface layer of the adsorbent which is always formed in laminar flows of liquids. The measured rate constants are interpreted in terms of effective diffusion coefficients of 3.6 {times} 10{sup {minus}5} cm{sup 2}/s for uranyl ions and 1.8 {times} 10{sup {minus}5} cm{sup 2}/s for tricarbonatouranate ions in the surface layer. As a consequence of this kinetic behavior, the geometry of the adsorbent as well as the velocity of the water flow are relevant parameters for the amount of adsorbent needed for a projected extraction rate. This conclusion applies to all adsorption processes where diffusion through the hydrodynamic layer is the rate-determining kinetic step.

  7. Isothermal nitridation kinetics of TiSi{sub 2} powders

    SciTech Connect (OSTI)

    Roger, J., E-mail: roger@lcts.u-bordeaux1.fr; Maillé, L.; Dourges, M.A.

    2014-04-01T23:59:59.000Z

    The aim of the present work is to determine the kinetics of reaction between TiSi{sub 2} powder and gaseous nitrogen. Isothermal nitridation of TiSi{sub 2} powders with fine (1.4 µm) and medium (4.5 µm) particle size has been studied in pure nitrogen atmosphere from 1000 to 1200 °C for duration up to 50 h. The isothermal nitridation kinetics of TiSi{sub 2} powders were investigated by thermogravimetry. The nitridation rate strongly depends on the particle size and temperature. Smaller size particle exhibits higher nitridation rate due to its larger surface area. The conversion process is complex with nucleation and growth of TiN at the surface of the grain and Si{sub 3}N{sub 4} inside the grain promoted by the Kirkendall effect with an influence of the volume increase. - Graphical abstract: Backscattered electrons image of a transverse TiSi{sub 2} grain nitrurated at 1100 °C for 50 h. - Highlights: • Influence of grain size on TiSi{sub 2} powder nitridation. • Influence of temperature on TiSi{sub 2} powder nitridation. • Experimental measurements of the nitridation kinetics. • An explanation of the nitridation mechanism.

  8. The Harrison Diffusion Kinetics Regimes in Solute Grain Boundary Diffusion

    SciTech Connect (OSTI)

    Belova, Irina [University of Newcastle, NSW, Australia; Fiedler, T [University of Newcastle, NSW, Australia; Kulkarni, Nagraj S [ORNL; Murch, Prof. Graeme [University of Newcastle, NSW, Australia

    2012-01-01T23:59:59.000Z

    Knowledge of the limits of the principal Harrison kinetics regimes (Type-A, B and C) for grain boundary diffusion is very important for the correct analysis of the depth profiles in a tracer diffusion experiment. These regimes for self-diffusion have been extensively studied in the past by making use of the phenomenological Lattice Monte Carlo (LMC) method with the result that the limits are now well established. The relationship of those self-diffusion limits to the corresponding ones for solute diffusion in the presence of solute segregation to the grain boundaries remains unclear. In the present study, the influence of solute segregation on the limits is investigated with the LMC method for the well-known parallel grain boundary slab model by showing the equivalence of two diffusion models. It is shown which diffusion parameters are useful for identifying the limits of the Harrison kinetics regimes for solute grain boundary diffusion. It is also shown how the measured segregation factor from the diffusion experiment in the Harrison Type-B kinetics regime may differ from the global segregation factor.

  9. Hydrotreating process kinetics for bitumen and bitumen-derived liquids

    SciTech Connect (OSTI)

    Kwak, S.; Longstaff, D.C.; Deo, M.D.; Hanson, F.V.

    1993-03-01T23:59:59.000Z

    Hydrodenitrogenation, hydrodesulfurization and resid conversion data for the Whiterocks bitumen and bitumen-derived liquid were analyzed using a modified power rate law model. The model incorporated the space velocity and pressure since the plug flow equation may not be applicable to laboratory-scale reactors in which complete wetting of the catalyst may not be attained. The data were obtained with the reactor operating as a fixed bed reactor in the upflow mode. The space velocity (WHSV{sup {alpha}}) term was included to account for deviations from plug flow behavior. The exponents (a,p) and the kinetic parameters were obtained by combined non-linear regression and ODE solver techniques for the analysis of laboratory data. A simple nth order power rate law expression for hydrodenitrogenation and hydrodesulfurization was examined. The higher than first order kinetics for hydrodenitrogenation and hydrodesulfurization of the bitumen and bitumen-derived liquids were explained by invoking two parallel first-order reactions; one slow and the other fast. Parallel and consecutive reaction schemes were used to examine the extent of conversion of the resid fraction to middle distillate, gas oil and gasoline and the apparent kinetic parameters were determined. It was determined that the upflow operating mode was preferred to the trickle-bed mode in the laboratory reactor to insure plug flow behavior.

  10. Kinetics of Cd Release from Some Contaminated Calcareous Soils

    SciTech Connect (OSTI)

    Sajadi Tabar, S.; Jalali, M., E-mail: jalali@basu.ac.ir [Bu-Ali Sina University, Department of Soil Science, College of Agriculture (Iran, Islamic Republic of)

    2013-03-15T23:59:59.000Z

    Contamination of soils with heavy metals may pose long-term risk to groundwater quality leading to health implications. Bioavailability of heavy metals, like cadmium (Cd) is strongly affected by sorption and desorption processes. The release of heavy metals from contaminated soils is a major contamination risks to natural waters. The release of Cd from contaminated soils is strongly influenced by its mobility and bioavailability. In this study, the kinetics of Cd desorption from ten samples of contaminated calcareous soils, with widely varying physicochemical properties, were studied using 0.01 M EDTA extraction. The median percentage of Cd released was about 27.7% of the total extractable Cd in the soils. The release of Cd was characterized by an initial fast release rate (of labile fractions) followed by a slower release rate (of less labile fractions) and a model of two first-order reactions adequately describes the observed release of Cd from the studied soil samples. There was positive correlation between the amount of Cd released at first phase of release and Cd in exchangeable fraction, indicating that this fraction of Cd is the main fraction controlling the Cd in the kinetic experiments. There was strongly negative correlation between the amount of Cd released at first and second phases of release and residual fraction, suggesting that this fraction did not contribute in Cd release in the kinetic experiments. The results can be used to provide information for evaluation of Cd potential toxicity and ecological risk from contaminated calcareous soils.

  11. Tunneling effects in the kinetics of helium and hydrogen isotopes desorption from single-walled carbon nanotube bundles

    SciTech Connect (OSTI)

    Danilchenko, B. A., E-mail: danil@iop.kiev.ua; Yaskovets, I. I.; Uvarova, I. Y. [Institute of Physics NASU, Pr. Nauki 46, 03680 Kiev (Ukraine); Dolbin, A. V.; Esel'son, V. B.; Basnukaeva, R. M.; Vinnikov, N. A. [B. Verkin Institute for Low Temperature Physics and Engineering NASU, 47 Lenin Ave., Kharkov 61103 (Ukraine)

    2014-04-28T23:59:59.000Z

    The kinetics of desorption both helium isotopes and molecules of hydrogen and deuterium from open-ended or ?-irradiated single-walled carbon nanotube bundles was investigated in temperature range of 10–300?K. The gases desorption rates obey the Arrhenius law at high temperatures, deviate from it with temperature reduction and become constant at low temperatures. These results indicate the quantum nature of gas outflow from carbon nanotube bundles. We had deduced the crossover temperature below which the quantum corrections to the effective activation energy of desorption become significant. This temperature follows linear dependence against the inverse mass of gas molecule and is consistent with theoretical prediction.

  12. A point-kinetics approach to sensitivity study of fast reactor dynamic behavior and delayed neutron spectra

    SciTech Connect (OSTI)

    Das, S. [Bhabha Atomic Research Centre, Bombay (India). Theoretical Physics Div.

    1996-03-01T23:59:59.000Z

    The method of point reactor kinetics in conjunction with the new concepts of delayed spectrum factor and beta growth factor is used to calculate the sensitivity of the dynamic behavior of a fast breeder reactor to large changes in delayed neutron energies following postulated reactivity accidents. The positive ramp rates are introduced not to simulate physical possibilities but solely to test the sensitivity to delayed neutron spectral changes under different conditions. A limited number of transient calculations are made using the point-kinetics code SENSTVTY, six precursor groups, and Doppler feedback. The calculational method and the reactor model are described. Delayed neutron requirements in reactor dynamics are discussed, and a brief review of the sensitivity studies is presented. The results of the sensitivity calculations indicate that the relative power, the peak power, and the accident energy release are sensitive to changes in {beta}{sub eff} resulting from uncertainty in the delayed spectral data, but the sensitivity of the relative power is much greater than the peak power and the accident energy release. The spread in the maximum reactivity reached is found to be {approximately}18%, and the time spread in the melting of fuel and cladding is in milliseconds.

  13. AdS/CFT connection between Boltzmann and Einstein equations: Kinetic theory and pure gravity in AdS space

    SciTech Connect (OSTI)

    Iyer, Ramakrishnan [Department of Physics and Astronomy, University of Southern California, Los Angeles, California 90089-0484 (United States); Mukhopadhyay, Ayan [Harish-Chandra Research Institute, Chhatnag Road, Jhusi, Allahabad 211019 (India)

    2010-04-15T23:59:59.000Z

    The AdS/CFT correspondence defines a sector with universal strongly coupled dynamics in the field theory as the dual of pure gravity in AdS described by Einstein's equation with a negative cosmological constant. We explain here, from the field-theoretic viewpoint how the dynamics in this sector gets determined by the expectation value of the energy-momentum tensor alone. We first show that the Boltzmann equation has very special solutions which could be functionally completely determined in terms of the energy-momentum tensor alone. We call these solutions conservative solutions. We indicate why conservative solutions should also exist when we refine this kinetic description to go closer to the exact microscopic theory or even move away from the regime of weak coupling so that no kinetic description could be employed. We argue that these conservative solutions form the universal sector dual to pure gravity at strong coupling and large N. Based on this observation, we propose a regularity condition on the energy-momentum tensor so that the dual solution in pure gravity has a smooth future horizon. We also study if irreversibility emerges only at long time scales of observation, unlike the case of the Boltzmann equation.

  14. Isotope exchange kinetics in metal hydrides I : TPLUG model.

    SciTech Connect (OSTI)

    Larson, Rich; James, Scott Carlton; Nilson, Robert H.

    2011-05-01T23:59:59.000Z

    A one-dimensional isobaric reactor model is used to simulate hydrogen isotope exchange processes taking place during flow through a powdered palladium bed. This simple model is designed to serve primarily as a platform for the initial development of detailed chemical mechanisms that can then be refined with the aid of more complex reactor descriptions. The one-dimensional model is based on the Sandia in-house code TPLUG, which solves a transient set of governing equations including an overall mass balance for the gas phase, material balances for all of the gas-phase and surface species, and an ideal gas equation of state. An energy equation can also be solved if thermodynamic properties for all of the species involved are known. The code is coupled with the Chemkin package to facilitate the incorporation of arbitrary multistep reaction mechanisms into the simulations. This capability is used here to test and optimize a basic mechanism describing the surface chemistry at or near the interface between the gas phase and a palladium particle. The mechanism includes reversible dissociative adsorptions of the three gas-phase species on the particle surface as well as atomic migrations between the surface and the bulk. The migration steps are more general than those used previously in that they do not require simultaneous movement of two atoms in opposite directions; this makes possible the creation and destruction of bulk vacancies and thus allows the model to account for variations in the bulk stoichiometry with isotopic composition. The optimization code APPSPACK is used to adjust the mass-action rate constants so as to achieve the best possible fit to a given set of experimental data, subject to a set of rigorous thermodynamic constraints. When data for nearly isothermal and isobaric deuterium-to-hydrogen (D {yields} H) and hydrogen-to-deuterium (H {yields} D) exchanges are fitted simultaneously, results for the former are excellent, while those for the latter show pronounced deviations at long times. These discrepancies can be overcome by postulating the presence of a surface poison such as carbon monoxide, but this explanation is highly speculative. When the method is applied to D {yields} H exchanges intentionally poisoned by known amounts of CO, the fitting results are noticeably degraded from those for the nominally CO-free system but are still tolerable. When TPLUG is used to simulate a blowdown-type experiment, which is characterized by large and rapid changes in both pressure and temperature, discrepancies are even more apparent. Thus, it can be concluded that the best use of TPLUG is not in simulating realistic exchange scenarios, but in extracting preliminary estimates for the kinetic parameters from experiments in which variations in temperature and pressure are intentionally minimized.

  15. KINETICS OF SLURRY PHASE FISCHER-TROPSCH SYSTHESIS

    SciTech Connect (OSTI)

    Dragomir B. Bukur; Gilbert F. Froment; Tomasz Olewski

    2005-09-29T23:59:59.000Z

    This report covers the third year of this research grant under the University Coal Research program. The overall objective of this project is to develop a comprehensive kinetic model for slurry phase Fischer-Tropsch synthesis (FTS) on iron catalysts. This model will be validated with experimental data obtained in a stirred tank slurry reactor (STSR) over a wide range of process conditions. The model will be able to predict molar flow rates and concentrations of all reactants and major product species (H{sub 2}O, CO{sub 2}, linear 1- and 2-olefins, and linear paraffins) as a function of reaction conditions in the STSR. During the reporting period we utilized experimental data from the STSR, that were obtained during the first two years of the project, to perform vapor-liquid equilibrium (VLE) calculations and estimate kinetic parameters. We used a modified Peng-Robinson (PR) equation of state (EOS) with estimated values of binary interaction coefficients for the VLE calculations. Calculated vapor phase compositions were in excellent agreement with experimental values from the STSR under reaction conditions. Occasional discrepancies (for some of the experimental data) between calculated and experimental values of the liquid phase composition were ascribed to experimental errors. The VLE calculations show that the vapor and the liquid are in thermodynamic equilibrium under reaction conditions. Also, we have successfully applied the Levenberg-Marquardt method (Marquardt, 1963) to estimate parameters of a kinetic model proposed earlier by Lox and Froment (1993b) for FTS on an iron catalyst. This kinetic model is well suited for initial studies where the main goal is to learn techniques for parameter estimation and statistical analysis of estimated values of model parameters. It predicts that the chain growth parameter ({alpha}) and olefin to paraffin ratio are independent of carbon number, whereas our experimental data show that they vary with the carbon number. Predicted molar flow rates of inorganic species, n-paraffins and total olefins were generally not in good agreement with the corresponding experimental values. In the future we'll use kinetic models based on non-constant value of {alpha}.

  16. A kinetic Monte Carlo method for the simulation of massive phase transformations

    SciTech Connect (OSTI)

    Bos, C.; Sommer, F.; Mittemeijer, E.J

    2004-07-12T23:59:59.000Z

    A multi-lattice kinetic Monte Carlo method has been developed for the atomistic simulation of massive phase transformations. Beside sites on the crystal lattices of the parent and product phase, randomly placed sites are incorporated as possible positions. These random sites allow the atoms to take favourable intermediate positions, essential for a realistic description of transformation interfaces. The transformation from fcc to bcc starting from a flat interface with the fcc(1 1 1)//bcc(1 1 0) and fcc[1 1 1-bar]//bcc[0 0 1-bar] orientation in a single component system has been simulated. Growth occurs in two different modes depending on the chosen values of the bond energies. For larger fcc-bcc energy differences, continuous growth is observed with a rough transformation front. For smaller energy differences, plane-by-plane growth is observed. In this growth mode two-dimensional nucleation is required in the next fcc plane after completion of the transformation of the previous fcc plane.

  17. 1642 IEEE TRANSACTIONS ON INTELLIGENT TRANSPORTATION SYSTEMS, VOL. 14, NO. 4, DECEMBER 2013 Minimal-Energy Driving Strategy for High-Speed

    E-Print Network [OSTI]

    Tong, Lang

    , including the extended speed range, energy efficiency, and regenerative braking. Based on this model, train the regenerative brake to feed back the kinetic energy, etc. On the other hand, a proper driving strategy can also

  18. IPAP Conference Series 1: IWN2000, Nov., 2000 1 Morphology Dependent Growth Kinetics of Ga-polar GaN(0001)

    E-Print Network [OSTI]

    Cohen, Philip I.

    IPAP Conference Series 1: IWN2000, Nov., 2000 1 Morphology Dependent Growth Kinetics of Ga-polar GaN, cohen@ece.umn.edu GaN grown on Ga polar GaN templates prepared by metal-organic vapor deposition shows to equilibrium models of the growth. The results indicate that Ga-polar GaN(0001) has a step energy of the order

  19. Dynamic Positioning System as Dynamic Energy Storage on Diesel-Electric Ships

    E-Print Network [OSTI]

    Johansen, Tor Arne

    1 Dynamic Positioning System as Dynamic Energy Storage on Diesel-Electric Ships Tor A. Johansen in order to implement energy storage in the kinetic and potential energy of the ship motion using the DP in order to relate the dynamic energy storage capacity to the maximum allowed ship position deviation

  20. Excitation Mechanism in the Collision-Induced Dissociation of Methane Molecular Ion at Kiloelectronvolt Translational Energy

    E-Print Network [OSTI]

    Kim, Myung Soo

    at kiloelectronvolt laboratory translational energy by using mass-analyzed ion kinetic energy spectrometry (MIKES mechanism, i.e., vibrational excitation dominating at low collision energy and electronic excitation at high at Kiloelectronvolt Translational Energy Hee Seung Lee and Myung Soo Kim* Department of Chemistry and the Center