National Library of Energy BETA

Sample records for ogdensburg kinetic energy

  1. 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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QAsource History ViewMayo, Maryland:NPI VenturesNewSt. Louis,EnergyOctillion Corporation JumpInvestments

  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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QAsource History ViewMayo, Maryland:NPI VenturesNewSt. Louis,EnergyOctillion Corporation JumpInvestmentsJump to:

  3. 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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIXsource HistoryScenarios Towards 2050 JumpCoos Bay OPTHalf|MyetteNavitas NaREC

  4. Sandia Energy - Combustion Kinetics

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

    Kinetics Home Transportation Energy Predictive Simulation of Engines Combustion Chemistry Combustion Kinetics Combustion KineticsAshley Otero2015-10-28T02:45:13+00:00 The...

  5. Dimensional enhancement of kinetic energies

    E-Print Network [OSTI]

    W. P. Schleich; J. P. Dahl

    2002-03-14

    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.

  6. Sandia Energy - Combustion 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: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach Home RoomPreservation of Fe(II) byMultidayAlumniProjects Caterpillar, SandiaCombustion Kinetics Home

  7. Extending Newton's Law from Nonlocal-in-Time Kinetic Energy

    E-Print Network [OSTI]

    Extending Newton's Law from Nonlocal-in-Time Kinetic Energy J.A.K. Suykens K.U. Leuven, ESAT: nonlocal-in-time kinetic energy, higher order Euler-Lagrange equation, Newton's sec- ond law of motion the kinetic energy with a form of nonlocal-in-time kinetic energy. It leads to a hypothetical extension

  8. 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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIX E LISTStar2-0057-EA Jump to:of the NationalDynetek EuropeEPG|ElecSolutionsKinetics Jump

  9. Harvesting Kinetic Energy with Switched-Inductor DCDC Converters

    E-Print Network [OSTI]

    Rincon-Mora, Gabriel A.

    energy in motion may not compete with solar power but, in contrast to indoor lighting and thermal sources- power piezoelectric and electrostatic kinetic-harvesting sources. I. HARVESTING KINETIC ENERGY temperature gradients, the fundamental source from which the device draws energy [3]. Harvesting the kinetic

  10. 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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIX E LISTStar Energy LLC Jump to: navigation, search Name:Ambata Capital Partners

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

    E-Print Network [OSTI]

    T. Mei

    2009-03-30

    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.

  12. 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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QAsource History View NewTexas: Energy ResourcesOrderInformation Kilauea Southwest RiftKimble

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

    E-Print Network [OSTI]

    T. Mei

    2007-11-02

    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. 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

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

    E-Print Network [OSTI]

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

    2014-12-02

    of its biological functions, are poorly understood. In this work, we use the discrete path sampling (DPS) approach to explore the energy landscapes of two RNA tetraloop hairpins, and provide insights into their folding mechanisms and kinetics in atomistic...

  16. Kinetic Energy Is Important in the Nanoscale World Frank Rioux

    E-Print Network [OSTI]

    Rioux, Frank

    that a is the best trial function of the three because it gives the lowest total energy, the primary criterionKinetic Energy Is Important in the Nanoscale World Frank Rioux Department of Chemistry College phenomena found in textbooks are expressed in terms of potential-energy-only (PEO) models. Inclusion

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

    E-Print Network [OSTI]

    Andrade, T; Kelly, WR; Marolf, D

    2015-01-01

    a family of equal-energy solutions known as a moduli space.admit negative kinetic energy solutions with E energy of this solution to be written in

  18. A parametric sensitivity study of entropy production and kinetic energy dissipation using the FAMOUS AOGCM

    E-Print Network [OSTI]

    Tailleux, Remi

    A parametric sensitivity study of entropy production and kinetic energy dissipation using of APE and entropy production associated with kinetic energy dissipation, with the standard FAMOUS values of the conjecture of maximum APE production (or equivalently maximum dissipation of kinetic energy). Keywords

  19. The troposphere-to-stratosphere transition in kinetic energy spectra and nonlinear

    E-Print Network [OSTI]

    Wirosoetisno, Djoko

    The troposphere-to-stratosphere transition in kinetic energy spectra and nonlinear spectral fluxes) The troposphere-to-stratosphere transition in kinetic energy spectra and nonlinear spectral fluxes as seen-to-Stratosphere Transition in Kinetic Energy Spectra and Nonlinear Spectral Fluxes as Seen in ECMWF Analyses B. H. BURGESS

  20. 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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIX ECoop Inc Jump to:Newberg,Energy LLC Jump to:3Perrysburg,AlpenaNRELUNEP Green

  1. Split Kinetic Energy Method for Quantum Systems with Competing Potentials

    E-Print Network [OSTI]

    H. Mineo; Sheng D. Chao

    2012-06-11

    For quantum systems with competing potentials, the conventional perturbation theory often yields an asymptotic series and the subsequent numerical outcome becomes uncertain. To tackle such kind of problems, we develop a general solution scheme based on a new energy dissection idea. Instead of dividing the potential energy into "unperturbed" and "perturbed" terms, a partition of the kinetic energy is performed. By distributing the kinetic energy term in part into each individual potential, the Hamiltonian can be expressed as the sum of the subsystem Hamiltonians with respective competing potentials. The total wavefunction is expanded by using a linear combination of the basis sets of respective subsystem Hamiltonians. We first illustrate the solution procedure using a simple system consisting of a particle under the action of double delta-function potentials. Next, this method is applied to the prototype systems of a charged harmonic oscillator in strong magnetic field and the hydrogen molecule ion. Compared with the usual perturbation approach, this new scheme converges much faster to the exact solutions for both eigenvalues and eigenfunctions. When properly extended, this new solution scheme can be very useful for dealing with strongly coupling quantum systems.

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

    E-Print Network [OSTI]

    Jarrell, Mark

    to the potential energy that electrons can gain by forming Cooper pairs. However, recent optical experiments showKinetic Energy Driven Pairing in Cuprate Superconductors Th. A. Maier,1 M. Jarrell,2 A. Macridin,2 of the electronic potential energy accompanied by an increase in kinetic energy. In the underdoped cuprates, optical

  3. Correction to kinetic energy density using exactly solvable model

    E-Print Network [OSTI]

    Alexey Sergeev; Raka Jovanovic; Sabre Kais; Fahhad H Alharbi

    2015-06-03

    An accurate non-gradient-expansion based correction to Thomas--Fermi is developed using solvable model. The used model is a system of $N$ non-interacting electrons moving independently in the Coulomb field of the nuclear charge. The presented correction is applicable for atoms and should be extendable beyond that. The method exploits the fact that the difference between the Thomas--Fermi approximation and the non-interacting kinetic energy is comparable to the difference between the same values inside the proposed solvable model. The numerical experiments show that by adding this correction factor, the precision of Thomas--Fermi approximation is enhanced by an order of magnitude.

  4. Protein folding kinetics: timescales, pathways and energy landscapes in terms of sequence-dependent properties

    E-Print Network [OSTI]

    Thirumalai, Devarajan

    Protein folding kinetics: timescales, pathways and energy landscapes in terms of sequence and theoretical studies have revealed that protein folding kinetics can be quite complex and diverse depending theoretical understanding of the kinetics of protein folding [1­8]. The general scenarios that have emerged

  5. Energy dissipation in magnetic null points at kinetic scales

    E-Print Network [OSTI]

    Olshevsky, Vyacheslav; Eriksson, Elin; Markidis, Stefano; Lapenta, Giovanni

    2015-01-01

    We use kinetic particle-in-cell and magnetohydrodynamic simulations supported by an observational dataset to investigate magnetic reconnection in clusters of null points in space plasma. The magnetic configuration under investigation is driven by fast adiabatic flux rope compression that dissipates almost half of the initial magnetic field energy. In this phase powerful currents are excited producing secondary instabilities, and the system is brought into a state of `intermittent turbulence' within a few ion gyro-periods. Reconnection events are distributed all over the simulation domain and energy dissipation is rather volume-filling. Numerous spiral null points interconnected via their spines form null lines embedded into magnetic flux ropes; null point pairs demonstrate the signatures of torsional spine reconnection. However, energy dissipation mainly happens in the shear layers formed by adjacent flux ropes with oppositely directed currents. In these regions radial null pairs are spontaneously emerging an...

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

    E-Print Network [OSTI]

    T. Mei

    2008-02-28

    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.

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

    E-Print Network [OSTI]

    Davide Flammini; Fabio Bruni; Maria Antonietta Ricci

    2009-01-28

    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.

  8. 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

    2014-03-18

    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.

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

    DOE Patents [OSTI]

    Reilly, Peter T.A.

    2013-12-03

    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.

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

    DOE Patents [OSTI]

    Reilly, Peter T. A. [Knoxville, TN

    2010-12-14

    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.

  11. Utilization of rotor kinetic energy storage for hybrid vehicles

    DOE Patents [OSTI]

    Hsu, John S. (Oak Ridge, TN)

    2011-05-03

    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.

    2014-05-13

    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. Power spectral analysis of Jupiter's clouds and kinetic energy from Cassini David S. Choi

    E-Print Network [OSTI]

    of wind vectors and atmospheric kinetic energy within Jupiter's troposphere. We computed power spectraPower spectral analysis of Jupiter's clouds and kinetic energy from Cassini David S. Choi , Adam P. Showman Department of Planetary Sciences, University of Arizona, Tucson, AZ 85721, USA a r t i c l e i n f

  14. 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

  15. Surface Response of Tungsten to Helium and Hydrogen Plasma Flux as a Function of Temperature and Incident Kinetic Energy

    E-Print Network [OSTI]

    Sefta, Faiza

    2013-01-01

    fusion reaction and ion energies as reproduced from http://incident helium kinetic energy with and without equilibriummi- crostructure evolution in low energy helium irradiated

  16. 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 ...

  17. Energy Conservation Tests of a Coupled Kinetic-kinetic Plasma-neutral Transport Code

    SciTech Connect (OSTI)

    Stotler, D. P.; Chang, C. S.; Ku, S. H.; Lang, J.; Park, G.

    2012-08-29

    A Monte Carlo neutral transport routine, based on DEGAS2, has been coupled to the guiding center ion-electron-neutral neoclassical PIC code XGC0 to provide a realistic treatment of neutral atoms and molecules in the tokamak edge plasma. The DEGAS2 routine allows detailed atomic physics and plasma-material interaction processes to be incorporated into these simulations. The spatial pro le of the neutral particle source used in the DEGAS2 routine is determined from the uxes of XGC0 ions to the material surfaces. The kinetic-kinetic plasma-neutral transport capability is demonstrated with example pedestal fueling simulations.

  18. Systematics of intermediate mass fragment kinetic energy spectra in the projectile fragmentation of gold nuclei

    SciTech Connect (OSTI)

    Warren, P.; Choi, Y.; Elliot, J.B.; Hauger, J.A. [and others

    1995-10-01

    The characteristics of intermediate mass fragment kinetic energy spectra produced in 1 AGeV Au+C collisions are investigated as a means of determining the conditions at freezeout in multiframentation.

  19. Ranges and kinetic energies of fragments from 14.5-mev neutrons induced fission of ²³?U 

    E-Print Network [OSTI]

    Desai, Rajanikant Dattatraya

    1966-01-01

    RANGES AND KINETIC ENERGIES OF FRAGMENTS FROM 238 14. 5-MEV NEJTRONS INDUCED FISSION OF U A Thesis By RAJANIKANT DATTATRAYA DESAI Submitted to the Graduate College of Texas A&M University in partial fulfillment of the requirements... for the degree of MASTER OF SCIENCE August 1966 Major Subject: 'Chemistry RANGES AND KINETIC ENERGIES OF FRAGMENTS FROM 14 ~ 5-ME% NEUTRONS INDUCED FISSION OF U A Thesis By RAJANIKANT DATTATRAYA DESAI Approved as to style and content by: airman o emmet...

  20. Buffed energy landscapes: Another solution to the kinetic paradoxes of protein folding

    E-Print Network [OSTI]

    Plotkin, Steven S.

    Buffed energy landscapes: Another solution to the kinetic paradoxes of protein folding Steven S, February 6, 2003 The energy landscapes of proteins have evolved to be different from most random structure that is stable at biological temperatures leads to energy landscapes having a single dominant

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

    E-Print Network [OSTI]

    Barnes, Elizabeth A.

    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

  2. Effects of short-range correlation reduced kinetic symmetry energy in heavy-ion collisions at intermediate energies

    E-Print Network [OSTI]

    Bao-An Li; Wen-Jun Guo; Zhaozhong Shi

    2015-03-20

    Besides earlier predictions based on both phenomenological models and modern microscopic many-body theories, circumstantial evidence was recently found for a reduced kinetic symmetry energy of isospin-asymmetric nucleonic matter compared to the free Fermi gas model prediction due to the short-range correlation of high-momentum neutron-proton pairs. While keeping the total symmetry energy near the saturation density of nuclear matter consistent with existing experimental constraints, we examine the correspondingly enhanced role of the isospin degree of freedom in heavy-ion collisions at intermediate energies due to the reduced (enhanced) kinetic (potential) symmetry energy. Important observable consequences are investigated.

  3. The Kinetic Energy of Hydrocarbons as a Function of Electron Density and Convolutional Neural Networks

    E-Print Network [OSTI]

    Yao, Kun

    2015-01-01

    We demonstrate a convolutional neural network trained to reproduce the Kohn-Sham kinetic energy of hydrocarbons from electron density. The output of the network is used as a non-local correction to the conventional local and semi-local kinetic functionals. We show that this approximation qualitatively reproduces Kohn-Sham potential energy surfaces when used with conventional exchange correlation functionals. Numerical noise inherited from the non-linearity of the neural network is identified as the major challenge for the model. Finally we examine the features in the density learned by the neural network to anticipate the prospects of generalizing these models.

  4. 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

    2004-08-06

    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.

  5. Mesoscale Equipartition of kinetic energy in Quantum Turbulence

    E-Print Network [OSTI]

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

    2012-01-01

    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 ...

  6. 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

  7. In conventional accelerators, energy from RF electro-magnetic waves in vacuum is transformed into kinetic energy

    E-Print Network [OSTI]

    Geddes, Cameron Guy Robinson

    into kinetic energy of particles driven by the electric field. In high-energy- physics colliders, some, they will equip scientists with powerful new capabilities for answering key questions. Those machines will also charges, called a plasma wave or laser wake, supports a strong longitudinal electric field (see figure 1

  8. Kinetic, potential and surface tension energies of solitary waves in deep water

    E-Print Network [OSTI]

    Vera Mikyoung Hur

    2015-09-01

    We present an exact relation among the kinetic, potential and surface tension energies of a solitary wave in deep water in all dimensions. We deduce its non-existence in the absence of the effects of surface tension, provided that gravity acts in a direction opposite to what is physically realistic.

  9. Kinetic, potential and surface tension energies of solitary waves in deep water

    E-Print Network [OSTI]

    Hur, Vera Mikyoung

    2015-01-01

    We present an exact relation among the kinetic, potential and surface tension energies of a solitary wave in deep water in all dimensions. We deduce its non-existence in the absence of the effects of surface tension, provided that gravity acts in a direction opposite to what is physically realistic.

  10. Heavy Quark Kinetic Energy in B Mesons by a QCD Relativistic Potential Model

    E-Print Network [OSTI]

    F. De Fazio

    1996-11-04

    The matrix element of the kinetic energy operator between B meson states is computed by means of a QCD relativistic potential model, with the result: $\\mu_\\pi^2=0.66 GeV^2$. A comparison with the outcome of other theoretical approaches and a discussion of the phenomenological implications of this result are carried out.

  11. 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

  12. 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

  13. Time-dependent kinetic energy metrics for Lagrangians of electromagnetic type

    E-Print Network [OSTI]

    W. Sarlet; G. Prince; T. Mestdag; O. Krupkova

    2011-12-01

    We extend the results obtained in a previous paper about a class of Lagrangian systems which admit alternative kinetic energy metrics to second-order mechanical systems with explicit time-dependence. The main results are that a time-dependent alternative metric will have constant eigenvalues, and will give rise to a time-dependent coordinate transformation which partially decouples the system.

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

    E-Print Network [OSTI]

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

    2015-01-01

    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.

  15. Proton Kinetic Effects and Turbulent Energy Cascade Rate in the Solar Wind

    E-Print Network [OSTI]

    Osman, Kareem T; Kiyani, Khurom H; Hnat, Bogdan; Chapman, Sandra C

    2013-01-01

    The first observed connection between kinetic instabilities driven by proton temperature anisotropy and estimated energy cascade rates in the turbulent solar wind is reported using measurements from the Wind spacecraft at 1 AU. We find enhanced cascade rates are concentrated along the boundaries of the ($\\beta_{\\parallel}$, $T_{\\perp}/T_{\\parallel}$)-plane, which includes regions theoretically unstable to the mirror and firehose instabilities. A strong correlation is observed between the estimated cascade rate and kinetic effects such as temperature anisotropy and plasma heating, resulting in protons 5-6 times hotter and 70-90% more anisotropic than under typical isotropic plasma conditions. These results offer new insights into kinetic processes in a turbulent regime.

  16. Low energy ion-molecule reactions and chemiionization kinetics

    SciTech Connect (OSTI)

    Farrar, J.M.

    1992-09-24

    Objective is to understand dynamics of elementary ionic collisions at the level of the underlying potential surface by measuring energy and angular distributions of reactively scattered products with crossed beam methods over the relative center-of-mass energy range from 0.3 to several eV. During the past few years, emphasis was on reaction dynamics of anionic species important in combustion, with special emphasis on O{sup {minus}} in proton and hydrogen atom transfer reactions with NH{sub 3}, H{sub 2}O, HF, and CH{sub 4}.

  17. 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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIX E LISTStar Energy LLC Jump to: navigation, search Name:Ambata Capital

  18. When and how does a prominence-like jet gain kinetic energy?

    SciTech Connect (OSTI)

    Liu, Jiajia; Liu, Rui; Zhang, Quanhao; Liu, Kai; Shen, Chenglong; Wang, S.; Wang, Yuming

    2014-02-20

    A jet is a considerable amount of plasma being ejected from the chromosphere or lower corona into the higher corona and is a common phenomenon. Usually, a jet is triggered by a brightening or a flare, which provides the first driving force to push plasma upward. In this process, magnetic reconnection is thought to be the mechanism to convert magnetic energy into thermal, nonthermal, and kinetic energies. However, most jets could reach an unusual high altitude and end much later than the end of its associated flare. This fact implies that there is another way to continuously transfer magnetic energy into kinetic energy even after the reconnection. The picture described above is well known in the community, but how and how much magnetic energy is released through a way other than reconnection is still unclear. By studying a prominence-like jet observed by SDO/AIA and STEREO-A/EUVI, we find that the continuous relaxation of the post-reconnection magnetic field structure is an important process for a jet to climb up higher than it could through only reconnection. The kinetic energy of the jet gained through the relaxation is 1.6 times that gained from the reconnection. The resultant energy flux is hundreds of times larger than the flux required for the local coronal heating, suggesting that such jets are a possible source to keep the corona hot. Furthermore, rotational motions appear all the time during the jet. Our analysis suggests that torsional Alfvén waves induced during reconnection could not be the only mechanism to release magnetic energy and drive jets.

  19. Intercomparison of the seasonal cycle in 200 hPa kinetic energy in AMIP GCM simulations

    SciTech Connect (OSTI)

    Boyle, J.S.

    1996-10-01

    The 200 hPa kinetic energy is represented by means of the spherical harmonic components for the Atmospheric Model Intercomparison Project (AMIP) simulations, the National Center for Environmental Prediction/National Center for Atmospheric Research (NCEP/NCAR) reanalysis and the European Centre for Medium Range Weather Forecast Reanalysis (ERA). The data used are the monthly mean wind fields from 1979 to 1988. The kinetic energy is decomposed into the divergent (DKE) and rotational (RKE) components and emphasis is placed on examining the former. The two reanalysis data sets show reasonable agreement that is best for the rotational kinetic energy. The largest difference in the divergent kinetic energy occurs during the northern summer. As might be expected, the two analyses are closet in regions where there are sufficient observations such that the effect of the model used in the assimilation cycle are minimized. The observed RKE show only a slight seasonal cycle with a maximum occuring during the northern winter. The DKE, on the other hand, has a very pronounced seasonal cycle with maxima at the solsticial seasons and minima during the equinoctial seasons. The model results show a very large spread in the magnitudes of the RKE and DKE although the models all evince a seasonal variation in phase with that observed. The median values of the seasonal cycle of RKE and DKE for the models are usually superior to those of any individual model. Results are also presented for simulation following the AMIP protocol but using updated versions of the original AMIP entries. In most cases these new integrations show better agreement with the observations.

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

    SciTech Connect (OSTI)

    Roldán, É.; Martínez, I. A.; Rica, R. A.; Dinis, L.

    2014-06-09

    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.

  1. Classification of metal-oxide bonded interactions based on local potential-and kinetic-energy densities

    E-Print Network [OSTI]

    Downs, Robert T.

    of the local potential-energy density and G rc is the local kinetic-energy density, each evaluated at a bond rc and the local electronic energy density, H rc =G rc +V rc , in the H­F study, yielded practically the bond critical point and local energy density properties with the bond lengths displayed by the H

  2. PHYS 101 Lecture 10 -Work and kinetic energy 10 -1 2001 by David Boal, Simon Fraser University. All rights reserved; further copying or resale is strictly prohibited.

    E-Print Network [OSTI]

    Boal, David

    - Work and kinetic energy 10 - 3 © 2001 by David Boal, Simon Fraser University. All rights reservedPHYS 101 Lecture 10 - Work and kinetic energy 10 - 1 © 2001 by David Boal, Simon Fraser University. All rights reserved; further copying or resale is strictly prohibited. Lecture 10 - Work and Kinetic

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

    E-Print Network [OSTI]

    Lokesh Kumar

    2014-08-19

    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.

  4. Kinetic energy distributions of sputtered neutral aluminum clusters: Al--Al{sub 6}

    SciTech Connect (OSTI)

    Coon, S.R.; Calaway, W.F.; Pellin, M.J.; Curlee, G.A.; White, J.M.

    1992-12-01

    Neutral aluminum clusters sputtered from polycrystalline aluminum were analyzed by laser postionization time-of-flight (TOF) mass spectrometry. The kinetic energy distributions of Al through Al{sub 6} were measured by a neutrals time-of-flight technique. The interpretation of laser postionization TOF data to extract velocity and energy distributions is presented. The aluminum cluster distributions are qualitatively similar to previous copper cluster distribution measurements from our laboratory. In contrast to the steep high energy tails predicted by the single- or multiple- collision models, the measured cluster distributions have high energy power law dependences in the range of E{sup {minus}3} to E{sup {minus}4.5}. Correlated collision models may explain the substantial abundance of energetic clusters that are observed in these experiments. Possible influences of cluster fragmentation on the distributions are discussed.

  5. Kinetic energy distributions of sputtered neutral aluminum clusters: Al--Al[sub 6

    SciTech Connect (OSTI)

    Coon, S.R.; Calaway, W.F.; Pellin, M.J. ); Curlee, G.A. . Dept. of Physics); White, J.M. . Dept. of Chemistry and Biochemistry)

    1992-01-01

    Neutral aluminum clusters sputtered from polycrystalline aluminum were analyzed by laser postionization time-of-flight (TOF) mass spectrometry. The kinetic energy distributions of Al through Al[sub 6] were measured by a neutrals time-of-flight technique. The interpretation of laser postionization TOF data to extract velocity and energy distributions is presented. The aluminum cluster distributions are qualitatively similar to previous copper cluster distribution measurements from our laboratory. In contrast to the steep high energy tails predicted by the single- or multiple- collision models, the measured cluster distributions have high energy power law dependences in the range of E[sup [minus]3] to E[sup [minus]4.5]. Correlated collision models may explain the substantial abundance of energetic clusters that are observed in these experiments. Possible influences of cluster fragmentation on the distributions are discussed.

  6. 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

    2015-06-09

    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.

  7. 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

    2015-09-17

    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.

  8. 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)

    2014-05-15

    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}.

  9. Hamilton's principle: why is the integrated difference of kinetic and potential energy minimized?

    E-Print Network [OSTI]

    Alberto G. Rojo

    2005-04-02

    I present an intuitive answer to an often asked question: why is the integrated difference K-U between the kinetic and potential energy the quantity to be minimized in Hamilton's principle? Using elementary arguments, I map the problem of finding the path of a moving particle connecting two points to that of finding the minimum potential energy of a static string. The mapping implies that the configuration of a non--stretchable string of variable tension corresponds to the spatial path dictated by the Principle of Least Action; that of a stretchable string in space-time is the one dictated by Hamilton's principle. This correspondence provides the answer to the question above: while a downward force curves the trajectory of a particle in the (x,t) plane downward, an upward force of the same magnitude stretches the string to the same configuration x(t).

  10. A Phase Diagram Unifies Energy Dissipation, Kinetics, and Rheology in Inertial Granular Flows

    E-Print Network [OSTI]

    E. DeGiuli; J. N. McElwaine; M. Wyart

    2015-09-11

    Flows of hard granular materials depend strongly on the interparticle friction coefficient $\\mu_p$ and on the inertial number ${\\cal I}$, which characterizes proximity to the jamming transition where flow stops. Guided by numerical simulations, we derive the phase diagram of dense inertial flow of spherical particles, finding three regimes for $10^{-4} \\lesssim {\\cal I} \\lesssim 0.1$: frictionless, frictional sliding, and rolling. These are distinguished by the dominant means of energy dissipation, changing from collisional to sliding friction, and back to collisional, as $\\mu_p$ increases from zero at constant ${\\cal I}$. The three regimes differ in their kinetics and rheology; in particular, the velocity fluctuations and the stress anisotropy both display non-monotonic behavior with $\\mu_p$, corresponding to transitions between the three regimes of flow. We characterize the scaling properties of these regimes, show that energy balance yields scaling relations for each of them, and explain why friction qualitatively affects flow.

  11. 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

    2014-05-28

    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.

  12. Scaling of the known exact explicit forms of the non-interacting kinetic-energy density functional

    E-Print Network [OSTI]

    Lázaro Calderín

    2014-10-15

    It has been previously proven that the Kohn-Sham kinetic energy functional scales homogeneusly under generalized coordinate scaling, in a way that is obeyed by the von Weiz\\"acker functional, but seems to be in contradiction with the scaling of the Thomas-Fermi functional. A very puzzling situation, taking in to account that the von Weiz\\"acker and Thomas-Fermi functionals are exact cases of the Kohn-Sham kinetic energy functional for two electron systems, and the non-interacting electron gas, respectively. The apparent contradiction is resolved in this paper.

  13. 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)

    2014-05-14

    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.

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

    E-Print Network [OSTI]

    Cai, Bao-Jun

    2015-01-01

    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.

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

    E-Print Network [OSTI]

    Bao-Jun Cai; Bao-An Li

    2015-06-18

    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.

  16. 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

    1997-12-01

    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.

  17. 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

  18. 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

  19. Dynamics of entropy perturbations in assisted dark energy with mixed kinetic terms

    SciTech Connect (OSTI)

    Karwan, Khamphee

    2011-02-01

    We study dynamics of entropy perturbations in the two-field assisted dark energy model. Based on the scenario of assisted dark energy, in which one scalar field is subdominant compared with the other in the early epoch, we show that the entropy perturbations in this two-field system tend to be constant on large scales in the early epoch and hence survive until the present era for a generic evolution of both fields during the radiation and matter eras. This behaviour of the entropy perturbations is preserved even when the fields are coupled via kinetic interaction. Since, for assisted dark energy, the subdominant field in the early epoch becomes dominant at late time, the entropy perturbations can significantly influence the dynamics of density perturbations in the universe. Assuming correlations between the entropy and curvature perturbations, the entropy perturbations can enhance the integrated Sachs-Wolfe (ISW) effect if the signs of the contributions from entropy perturbations and curvature perturbations are opposite after the matter era, otherwise the ISW contribution is suppressed. For canonical scalar field the effect of entropy perturbations on ISW effect is small because the initial value of the entropy perturbations estimated during inflation cannot be sufficiently large. However, in the case of k-essence, the initial value of the entropy perturbations can be large enough to affect the ISW effect to leave a significant imprint on the CMB power spectrum.

  20. The Energy Landscape, Folding Pathways and the Kinetics of a Knotted Protein

    E-Print Network [OSTI]

    Michael C. Prentiss; David J. Wales; Peter G. Wolynes

    2010-07-02

    The folding pathway and rate coefficients of the folding of a knotted protein are calculated for a potential energy function with minimal energetic frustration. A kinetic transition network is constructed using the discrete path sampling approach, and the resulting potential energy surface is visualized by constructing disconnectivity graphs. Owing to topological constraints, the low-lying portion of the landscape consists of three distinct regions, corresponding to the native knotted state and to configurations where either the N- or C-terminus is not yet folded into the knot. The fastest folding pathways from denatured states exhibit early formation of the N-terminus portion of the knot and a rate-determining step where the C-terminus is incorporated. The low-lying minima with the N-terminus knotted and the C-terminus free therefore constitute an off-pathway intermediate for this model. The insertion of both the N- and C-termini into the knot occur late in the folding process, creating large energy barriers that are the rate limiting steps in the folding process. When compared to other protein folding proteins of a similar length, this system folds over six orders of magnitude more slowly.

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

    E-Print Network [OSTI]

    Andrade, Tomas; Marolf, Donald

    2015-01-01

    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. O...

  2. 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)

    2012-06-04

    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.

  3. 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.

    1980-10-01

    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.

  4. Ion-Kinetic-Energy Measurements and Energy Balance in a Z-Pinch Plasma at Stagnation E. Kroupp, D. Osin, A. Starobinets, V. Fisher, V. Bernshtam, and Y. Maron

    E-Print Network [OSTI]

    Kroupp, Eyal

    Ion-Kinetic-Energy Measurements and Energy Balance in a Z-Pinch Plasma at Stagnation E. Kroupp, D of Physics, Technion-Israeli Institute of Technology, Haifa, Israel C. Deeney Sandia National Laboratories with simultaneous imaging along the pinch, was employed. Over the emission period, a drop of the ion-kinetic energy

  5. 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)

    2005-11-01

    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}.

  6. Bi-Directional Energy Cascades and the Origin of Kinetic Alfv\\'enic and Whistler Turbulence in the Solar Wind

    E-Print Network [OSTI]

    Che, H; Viñas, A F

    2013-01-01

    The observed sub-proton scale turbulence spectrum in the solar wind raises the question of how that turbulence originates. Observations of keV energetic electrons during solar quite-time suggest them as possible source of free energy to drive the turbulence. Using particle-in-cell simulations, we explore how free energy in energetic electrons, released by an electron two-stream instability drives Weibel-like electromagnetic waves that excite wave-wave interactions. Consequently, both kinetic Alfv\\'enic and whistler waves are excited that evolve through inverse and forward magnetic energy cascades.

  7. 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.

    1986-01-10

    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.

  8. 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

  9. Kinetic Energy Estimates for the Accuracy of the Time-Dependent Hartree-Fock Approximation with Coulomb Interaction

    E-Print Network [OSTI]

    Volker Bach; Sébastien Breteaux; Sören Petrat; Peter Pickl; Tim Tzaneteas

    2015-03-03

    We study the time evolution of a system of $N$ spinless fermions in $\\mathbb{R}^3$ which interact through a pair potential, e.g., the Coulomb potential. We compare the dynamics given by the solution to Schr{\\"o}dinger's equation with the time-dependent Hartree-Fock approximation, and we give an estimate for the accuracy of this approximation in terms of the kinetic energy of the system. This leads, in turn, to bounds in terms of the initial total energy of the system.

  10. 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

    2008-05-29

    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.

  11. Extracting kinetic freeze-out temperature and radial flow velocity from transverse momentum spectra in high energy collisions

    E-Print Network [OSTI]

    Wei, Hua-Rong; Lacey, Roy A

    2015-01-01

    Experimental results of the transverse momentum spectra of final-state light flavour particles produced in gold-gold (Au-Au), copper-copper (Cu-Cu), lead-lead (Pb-Pb), proton-lead (p-Pb), and proton-proton (p-p) collisions at various energies, measured by the PHENIX, STAR, ALICE, and CMS Collaborations, are described by the Tsallis-standard (Tsallis form of Fermi-Dirac or Bose-Einstein) distribution, Tsallis distribution, and two- or three-component standard distribution, in the framework of a multisource thermal model. The effective temperatures and real temperatures (kinetic freeze-out temperatures) of interacting system at the stage of kinetic freeze-out, and the radial flow velocities of final-state particles are successively extracted from the transverse momentum spectra by the three distributions which can be in fact regarded as three types of "thermometers" and "speedometers". The dependences of effective temperatures on particle mass and centrality, and the dependences of kinetic freeze-out temperatur...

  12. Gas-phase reaction between calcium monocation and fluoromethane: Analysis of the potential energy hypersurface and kinetics calculations

    SciTech Connect (OSTI)

    Varela-Alvarez, Adrian; Sordo, Jose A. [Departamento de Quimica Fisica y Analitica, Laboratorio de Quimica Computacional, Facultad de Quimica, Universidad de Oviedo, Julian Claveria, 8. 33006 Oviedo, Principado de Asturias (Spain); Rayon, V. M.; Redondo, P.; Barrientos, C. [Departamento de Quimica Fisica y Quimica Inorganica, Facultad de Ciencias, Universidad de Valladolid, 47005 Valladolid (Spain)

    2009-10-14

    The gas-phase reaction between calcium monocation and fluoromethane: Ca{sup +}+CH{sub 3}F{yields}CaF{sup +}+CH{sub 3} was theoretically analyzed. The potential energy hypersurface was explored by using density functional theory methodology with different functionals and Pople's, Dunning's, Ahlrichs', and Stuttgart-Dresden basis sets. Kinetics calculations (energy and total angular momentum resolved microcanonical variational/conventional theory) were accomplished. The theoretically predicted range for the global kinetic rate constant values at 295 K (7.2x10{sup -11}-5.9x10{sup -10} cm{sup 3} molecule{sup -1} s{sup -1}) agrees reasonably well with the experimental value at the same temperature [(2.6{+-}0.8)x10{sup -10} cm{sup 3} molecule{sup -1} s{sup -1}]. Explicit consideration of a two transition state model, where the formation of a weakly bounded prereactive complex is preceded by an outer transition state (entrance channel) and followed by an inner transition state connecting with a second intermediate that finally leads to products, is mandatory. Experimental observations on the correlation, or lack of correlation, between reaction rate constants and second ionization energies of the metal might well be rationalized in terms of this two transition state model.

  13. Interplay of waves and eddies in rotating stratified turbulence and the link with kinetic-potential energy partition

    E-Print Network [OSTI]

    Marino, Raffaele; Herbert, Corentin; Pouquet, Annick

    2015-01-01

    The interplay between waves and eddies in stably stratified rotating flows is investigated by means of world-class direct numerical simulations using up to $3072^3$ grid points. Strikingly, we find that the shift from vortex to wave dominated dynamics occurs at a wavenumber $k_R$ which does not depend on Reynolds number, suggesting that partition of energy between wave and vortical modes is not sensitive to the development of turbulence at the smaller scales. We also show that $k_R$ is comparable to the wavenumber at which exchanges between kinetic and potential modes stabilize at close to equipartition, emphasizing the role of potential energy, as conjectured in the atmosphere and the oceans. Moreover, $k_R$ varies as the inverse of the Froude number as explained by the scaling prediction proposed, consistent with recent observations and modeling of the Mesosphere-Lower Thermosphere and of the ocean.

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

    E-Print Network [OSTI]

    Andrade, T; Kelly, WR; Marolf, D

    2015-01-01

    s Proof of the Positive Energy Theorem”, Commun.Math.Phys.James W. , “Quasilocal energy and conserved charges derivedS. Deser and B. Tekin, “Energy in generic higher curvature

  15. Shape-Memory Transformations of NiTi: Minimum-Energy Pathways between Austenite, Martensites, and Kinetically Limited Intermediate States

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

    Zarkevich, N. A.; Johnson, D. D.

    2014-12-24

    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, butmore »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.« less

  16. A high-intensity, pulsed supersonii:, carbon source aivith C("Pi> kinetic energies of 0.08-0.7 eV for crossed beam experiments

    E-Print Network [OSTI]

    Kaiser, Ralf I.

    1 A high-intensity, pulsed supersonii:, carbon source aivith C("Pi> kinetic energies of 0.08-0.7 e the laser pulse, the pulsed valve, and a chopper wheel located 40 mm after the laser ablation. Neither. INTRODUCTION Chemical reactions of ground state atomic carbon C(3Pj) play a major role in combustion processes

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

    E-Print Network [OSTI]

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

    1967-01-01

    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 ...

  18. Energy dependence of transient enhanced diffusion and defect kinetics Hugo Saleh and Mark E. Lawa)

    E-Print Network [OSTI]

    Florida, University of

    polishing with a fixed implant dose and energy.3 These effects are thought to be correlated, since of interstitials remains from the implanted ions, and these condense into 311 defects. This is known as the ``plus

  19. Ground-State Magnetization for Interacting Fermions in a Disordered Potential : Kinetic Energy, Exchange Interaction and Off-Diagonal Fluctuations

    E-Print Network [OSTI]

    Philippe Jacquod; A. Douglas Stone

    2001-10-05

    We study a model of interacting fermions in a disordered potential, which is assumed to generate uniformly fluctuating interaction matrix elements. We show that the ground state magnetization is systematically decreased by off-diagonal fluctuations of the interaction matrix elements. This effect is neglected in the Stoner picture of itinerant ferromagnetism in which the ground-state magnetization is simply determined by the balance between ferromagnetic exchange and kinetic energy, and increasing the interaction strength always favors ferromagnetism. The physical origin of the demagnetizing effect of interaction fluctuations is the larger number of final states available for interaction-induced scattering in the lower spin sectors of the Hilbert space. We analyze the energetic role played by these fluctuations in the limits of small and large interaction $U$. In the small $U$ limit we do second-order perturbation theory and identify explicitly transitions which are allowed for minimal spin and forbidden for higher spin. These transitions then on average lower the energy of the minimal spin ground state with respect to higher spin. For large interactions $U$ we amplify on our earlier work [Ph. Jacquod and A.D. Stone, Phys. Rev. Lett. 84, 3938 (2000)] which showed that minimal spin is favored due to a larger broadening of the many-body density of states in the low-spin sectors. Numerical results are presented in both limits.

  20. 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

  1. 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

  2. TheChandraViewofRadiativeandKineticEnergyDissipationin Beyond Unification:An X-ray

    E-Print Network [OSTI]

    Evans, Dan

    the way in, so a disk is formed · Frictional forces internal to the disc heat it up, causing it to radiate angular resolution (Transmission Gratings Spectrometers (HETG and LETG) XMM-Newton: Moderate Energy Transmission Gratings Spectrometer well suited · Narrow core always attributed

  3. The effect of turbulent kinetic energy on inferred ion temperature from neutron spectra

    SciTech Connect (OSTI)

    Murphy, T. J., E-mail: tjmurphy@lanl.gov [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

    2014-07-15

    Measuring the width of the energy spectrum of fusion-produced neutrons from deuterium (DD) or deuterium-tritium (DT) plasmas is a commonly used method for determining the ion temperature in inertial confinement fusion (ICF) implosions. In a plasma with a Maxwellian distribution of ion energies, the spread in neutron energy arises from the thermal spread in the center-of-mass velocities of reacting pairs of ions. Fluid velocities in ICF are of a similar magnitude as the center-of-mass velocities and can lead to further broadening of the neutron spectrum, leading to erroneous inference of ion temperature. Motion of the reacting plasma will affect DD and DT neutrons differently, leading to disagreement between ion temperatures inferred from the two reactions. This effect may be a contributor to observations over the past decades of ion temperatures higher than expected from simulations, ion temperatures in disagreement with observed yields, and different temperatures measured in the same implosion from DD and DT neutrons. This difference in broadening of DD and DT neutrons also provides a measure of turbulent motion in a fusion plasma.

  4. 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

    2015-01-01

    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 ...

  5. 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 Data Center Home Page on Delicious Rank EERE:FinancingPetroleum Based Fuels|Programs |Chart of breakout of funds by majorEnergy 12 DOE

  6. 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 Data Center Home Page on Delicious Rank EERE:FinancingPetroleum Based Fuels|Programs |Chart of breakout of funds by majorEnergy 12 DOE1 DOE

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

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of Natural GasAdjustmentsShirleyEnergyTher i n c i p a lCaribElectricSouthApplying caulkChapter

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

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of Natural GasAdjustmentsShirleyEnergyTher i n c i p a lCaribElectricSouthApplying caulkChapterace013_pitz_2013_o.pdf More

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

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of Natural GasAdjustmentsShirleyEnergy A plug-in electric vehicle (PEV) charging station in Rhode Island. |Moreit

  10. 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

    2007-06-05

    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.

  11. Convergent sum of gradient expansion of the kinetic-energy density functional up to the sixth order term using Pade approximant

    E-Print Network [OSTI]

    A. Sergeev; R. Jovanovic; S. Kais; F. H. Alharbi

    2015-08-27

    The gradient expansion of the kinetic energy functional, when applied for atoms or finite systems, usually grossly overestimates the energy in the fourth order and generally diverges in the sixth order. We avoid the divergence of the integral by replacing the asymptotic series including the sixth order term in the integrand by a rational function. Pade approximants show moderate improvements in accuracy in comparison with partial sums of the series. The results are discussed for atoms and Hooke law model for two electron atoms.

  12. Cosmological Kinetic Mixing

    E-Print Network [OSTI]

    Das, Ashok; Pino, Miguel

    2015-01-01

    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.

  13. Cosmological Kinetic Mixing

    E-Print Network [OSTI]

    Ashok Das; Jorge Gamboa; Miguel Pino

    2015-06-22

    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.

  14. Kinetic advantage of controlled intermediate nuclear fusion

    SciTech Connect (OSTI)

    Guo Xiaoming

    2012-09-26

    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.

  15. Measurement of a complete set of nuclides, cross-sections and kinetic energies in spallation of 238U 1A GeV with protons

    E-Print Network [OSTI]

    P. Armbruster; J. Benlliure; M. Bernas; A. Boudard; E. Casarejos; S. Czajkowski; T. Enqvist; S. Leray; P. Napolitani; J. Pereira; F. Rejmund; M. -V. Ricciardi; K. -H. Schmidt; C. Stephan; J. Taieb; L. Tassan-Got; C. Volant

    2004-06-28

    Spallation residues and fission fragments from 1A GeV 238U projectiles irradiating a liquid hydrogen target were investigated by using the FRagment Separator at GSI for magnetic selection of reaction products including ray-tracing, energy-loss and time-of-flight techniques. The longitudinal-momentum spectra of identified fragments were analysed, and evaporation residues and fission fragments could be separated. For 1385 nuclides, production cross-sections covering 3 orders of magnitude with a mean accuracy of 15%, velocities in the U-rest frame and kinetic energies were determined. In the reaction all elements from uranium to nitrogen were found, each with a large number of isotopes.

  16. Combined valence bond-molecular mechanics potential-energy surface and direct dynamics study of rate constants and kinetic isotope

    E-Print Network [OSTI]

    Truhlar, Donald G

    Combined valence bond-molecular mechanics potential-energy surface and direct dynamics study of the MPW54 potential-energy surface are then used to parametrize a new kind of analytical potential-energy of molecular mechanics to treat a reactive potential-energy surface or a new kind of combined quantum

  17. Comparison of the energy spectra and number fluxes from a simple flare model to observations

    E-Print Network [OSTI]

    Hannah, Iain G; Fletcher, L

    2006-01-01

    column) and the kinetic energy gain (right- hand column) forcolumn) and the kinetic energy gain (right- hand column) forcolumn) and the kinetic energy gain (right- hand column) for

  18. Volume146,number6 CHEMICALPHYSICSLETTERS 20May 1988 KINETIC ENERGY ENHANCED MOLECULAR BEAM EPITAXIAL GROWTH OF Si(100)

    E-Print Network [OSTI]

    Brenner, Donald W.

    than requiring the long times associated with surface diffusion processes. The optimal energy range thermal energy de- position [ 16,171. 0 009-2614/88/$ 03.50 0 Elsevier Science Publishers B.V. (North. Only four layers of the ten used in the simulation are shown. The initial stages of thermal energy MBE

  19. Analysis of Flow Cytometry DNA Damage Response Protein Activation Kinetics Following X-rays and High Energy Iron Nuclei Exposure

    SciTech Connect (OSTI)

    Universities Space Research Association; Chappell, Lori J.; Whalen, Mary K.; Gurai, Sheena; Ponomarev, Artem; Cucinotta, Francis A.; Pluth, Janice M.

    2010-12-15

    We developed a mathematical method to analyze flow cytometry data to describe the kinetics of {gamma}H2AX and pATF2 phosphorylations ensuing various qualities of low dose radiation in normal human fibroblast cells. Previously reported flow cytometry kinetic results for these DSB repair phospho-proteins revealed that distributions of intensity were highly skewed, severely limiting the detection of differences in the very low dose range. Distributional analysis reveals significant differences between control and low dose samples when distributions are compared using the Kolmogorov-Smirnov test. Radiation quality differences are found in the distribution shapes and when a nonlinear model is used to relate dose and time to the decay of the mean ratio of phosphoprotein intensities of irradiated samples to controls. We analyzed cell cycle phase and radiation quality dependent characteristic repair times and residual phospho-protein levels with these methods. Characteristic repair times for {gamma}H2AX were higher following Fe nuclei as compared to X-rays in G1 cells (4.5 {+-} 0.46 h vs 3.26 {+-} 0.76 h, respectively), and in S/G2 cells (5.51 {+-} 2.94 h vs 2.87 {+-} 0.45 h, respectively). The RBE in G1 cells for Fe nuclei relative to X-rays for {gamma}H2AX was 2.05 {+-} 0.61 and 5.02 {+-} 3.47, at 2 h and 24-h postirradiation, respectively. For pATF2, a saturation effect is observed with reduced expression at high doses, especially for Fe nuclei, with much slower characteristic repair times (>7 h) compared to X-rays. RBEs for pATF2 were 0.66 {+-} 0.13 and 1.66 {+-} 0.46 at 2 h and 24 h, respectively. Significant differences in {gamma}H2AX and pATF2 levels comparing irradiated samples to control were noted even at the lowest dose analyzed (0.05 Gy) using these methods of analysis. These results reveal that mathematical models can be applied to flow cytometry data to uncover important and subtle differences following exposure to various qualities of low dose radiation.

  20. Transport Phenomena and Interfacial Kinetics in Planar Microfluidic

    Office of Scientific and Technical Information (OSTI)

    Transport Phenomena and Interfacial Kinetics in Planar Microfluidic Membraneless Fuel Cells Abruna, Hector Daniel Cornell University 30 DIRECT ENERGY CONVERSION Our work is...

  1. Theoretical investigation of the origin of the multipeak structure of kinetic-energy-release spectra from charge-resonance-enhanced ionization of H{sub 2}{sup +} in intense laser fields

    SciTech Connect (OSTI)

    He Haixiang; Guo Yahui [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); China and Graduate School of the Chinese Academy of Sciences, Beijing, 10039 (China); Lu Ruifeng [Department of Applied Physics, Nanjing University of Science and Technology, Nanjing 210094 (China); Zhang Peiyu; Han Keli; He Guozhong [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China)

    2011-09-15

    The dynamics of hydrogen molecular ions in intense laser pulses (100 fs, I = 0.77 x 10{sup 14} W/cm{sup 2} to 2.5 x 10{sup 14} W/cm{sup 2}) has been studied, and the kinetic-energy-release spectra of Coulomb explosion channel have been calculated by numerically solving the time-dependent Schroedinger equation. In a recent experiment, a multipeak structure from charge-resonance-enhanced ionization is interpreted by a vibrational 'comb' at a critical nuclear distance. We found that the peaks could not be attributed to a single vibrational level but a collective contribution of some typical vibrational states in our calculated Coulomb explosion spectra, and the main peak shifts toward the low-energy region with increasing vibrational level, which is also different from the explanation in that experiment. We have also discussed the proton's kinetic-energy-release spectra for different durations with the same laser intensity.

  2. Low energy ion-molecule reactions and chemiionization kinetics. Progress report, February 1, 1992--January 31, 1993

    SciTech Connect (OSTI)

    Farrar, J.M.

    1992-09-24

    Objective is to understand dynamics of elementary ionic collisions at the level of the underlying potential surface by measuring energy and angular distributions of reactively scattered products with crossed beam methods over the relative center-of-mass energy range from 0.3 to several eV. During the past few years, emphasis was on reaction dynamics of anionic species important in combustion, with special emphasis on O{sup {minus}} in proton and hydrogen atom transfer reactions with NH{sub 3}, H{sub 2}O, HF, and CH{sub 4}.

  3. Kinetic decoupling of WIMPs: analytic expressions

    E-Print Network [OSTI]

    Visinelli, Luca

    2015-01-01

    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.

  4. Low energy ion-molecule reaction dynamics and chemiionization kinetics. Progress report, February 1, 1980-January 31, 1981

    SciTech Connect (OSTI)

    Farrar, J.M.

    1981-01-01

    Reactive scattering studies were completed over a wide energy range on the systems H/sub 2//sup +/ + Ar, H/sub 2//sup +/ + H/sub 2/O, H/sub 2//sup +/ + D/sub 2/O, and H/sub 2//sup +/ + Ne. Work was begun on the proton transfer system HCO/sup +/ + H/sub 2/O ..-->.. H/sub 3/O/sup +/ + CO.

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

    E-Print Network [OSTI]

    T. Mizumoto; R. Ohta; T. Horie; J. Suzuki; Y. Inoue; M. Minowa

    2013-06-18

    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 500mm and a focal length of 1007mm 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 \\chi depending on the hidden photon mass m_{\\gamma '}.

  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)

    2013-07-01

    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. RANGE-ENERGY TABLES

    E-Print Network [OSTI]

    Rich, Marvin

    2010-01-01

    Particles. II. PROTON RANGE-ENERGY DATA Stopping Medium: Be2301 III. PION RANGE-ENERGY DATA Mev. Pion Kinetic Energy2301 IV. DEUTERON RANGE-ENERGY DATA Deuteron Kinetic Energy

  8. Exploring the Potential of Fulvalene Dimetals as Platforms for Molecular Solar Thermal Energy Storage: Computations, Syntheses, Structures, Kinetics, and Catalysis

    SciTech Connect (OSTI)

    Borjesson, K; Coso, D; Gray, V; Grossman, JC; Guan, JQ; Harris, CB; Hertkorn, N; Hou, ZR; Kanai, Y; Lee, D; Lomont, JP; Majumdar, A; Meier, SK; Moth-Poulsen, K; Myrabo, RL; Nguyen, SC; Segalman, RA; Srinivasan, V; Tolman, WB; Vinokurov, N; Vollhardt, KPC; Weidman, TW

    2014-10-03

    A study of the scope and limitations of varying the ligand framework around the dinuclear core of FvRu(2) in its function as a molecular solar thermal energy storage framework is presented. It includes DFT calculations probing the effect of substituents, other metals, and CO exchange for other ligands on Delta H-storage. Experimentally, the system is shown to be robust in as much as it tolerates a number of variations, except for the identity of the metal and certain substitution patterns. Failures include 1,1',3,3'-tetra-tert-butyl (4), 1,2,2',3'-tetraphenyl (9), diiron (28), diosmium (24), mixed iron-ruthenium (27), dimolybdenum (29), and di-tungsten (30) derivatives. An extensive screen of potential catalysts for the thermal reversal identified AgNO3-SiO2 as a good candidate, although catalyst decomposition remains a challenge.

  9. Nonlinear effects in kinetic resolutions 

    E-Print Network [OSTI]

    Johnson, Derrell W.

    1999-01-01

    The impact of nonlinear effects in the asymmetric catalysis of kinetic resolutions is analyzed. It is found with minimal assumptions that the kinetics of homocompetitive reactions should apply generally to kinetic resolutions involving partially...

  10. Sandia Energy - CEC Array Modeling

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

    turbulent kinetic energy and turbulent kinetic energy dissipation rate, New, advanced sediment dynamics routines, Augmented water quality modules, and The ability to design new...

  11. Kinetic vs. energetic discrimination in biological copying

    E-Print Network [OSTI]

    Pablo Sartori; Simone Pigolotti

    2013-04-12

    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

  12. MSE 3050, Thermodynamics and Kinetics of Materials, Leonid Zhigilei Review of classical thermodynamics

    E-Print Network [OSTI]

    Zhigilei, Leonid V.

    MSE 3050, Thermodynamics and Kinetics of Materials, Leonid Zhigilei Review of classical thermodynamics Fundamental Laws, Properties and Processes (1) First Law - Energy Balance Thermodynamic functions material in any other textbook on thermodynamics #12;MSE 3050, Thermodynamics and Kinetics of Materials

  13. Predicting Protein Folding Kinetics via Temporal Logic Model Checking

    E-Print Network [OSTI]

    Predicting Protein Folding Kinetics via Temporal Logic Model Checking Christopher James Langmead award from the U.S. Department of Energy. #12;Keywords: protein folding, model checking, temporal logic #12;Abstract We present a novel approach for predicting protein folding kinetics using techniques from

  14. DNA Nanomechanical Switches under Folding Kinetics Control

    E-Print Network [OSTI]

    Meller, Amit

    DNA Nanomechanical Switches under Folding Kinetics Control Virgile Viasnoff,, Amit Meller operate at equilibrium under changes in solution composition. We propose an alternative DNA switch design after heat denaturation drives the switch to its lowest energy conformation, while rapid cooling (>100

  15. Paint decontamination kinetics

    SciTech Connect (OSTI)

    Thornton, E.W.

    1984-04-01

    Decontamination kinetics of a high-gloss polyurethane paint have been investigated using a novel flow cell experiment where the sample was counted in situ during decontamination. The /sup 134/Cs, /sup 137/Cs, and /sup 90/Y decontaminations follow a rate law that can be predicted theoretically for contaminant ion desorption from weakly heterogeneous random surface adsorption sites. Paint surfaces show the same decontamination kinetics after damage by abrasion or ultraviolet irradiation prior to contamination. The systems investigated exhibit Freundlich adsorption isotherm behavior during contamination; this is also characteristic of weakly heterogeneous random surfaces and is very commonly observed in ion adsorption studies at low concentrations.

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

    SciTech Connect (OSTI)

    Schmidt, A.; Link, A.; Tang, V.; Halvorson, C.; May, M.; Welch, D.; Meehan, B. T.; Hagen, E. C.

    2014-10-15

    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.

  17. Inertial range turbulence in kinetic plasmas

    E-Print Network [OSTI]

    G. G. Howes

    2007-11-27

    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.

  18. Kinetic freeze out

    E-Print Network [OSTI]

    Magas, V K; Csernai, László P; Grassi, Frédérique; Greiner, W; Hama, Y; Kodama, T; Lázár, Z I; Stöcker, H; Lázár, Zs.I.

    1999-01-01

    Freeze out of particles across a space-time hypersurface is discussed in kinetic models. The calculation of final momentum distribution of emitted particles is described for freeze out surfaces, with spacelike normals. The resulting non-equilibrium distribution does not resemble, the previously proposed, cut Juttner distribution, and shows non-exponential p_t-spectra similar to the ones observed in experiments.

  19. Integrating Acclimated Kinetic Envelopes into Sustainable Building Design 

    E-Print Network [OSTI]

    Wang, Jialiang

    2014-05-28

    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...

  20. LLNL Chemical Kinetics Modeling Group

    SciTech Connect (OSTI)

    Pitz, W J; Westbrook, C K; Mehl, M; Herbinet, O; Curran, H J; Silke, E J

    2008-09-24

    The LLNL chemical kinetics modeling group has been responsible for much progress in the development of chemical kinetic models for practical fuels. The group began its work in the early 1970s, developing chemical kinetic models for methane, ethane, ethanol and halogenated inhibitors. Most recently, it has been developing chemical kinetic models for large n-alkanes, cycloalkanes, hexenes, and large methyl esters. These component models are needed to represent gasoline, diesel, jet, and oil-sand-derived fuels.

  1. Kinetic equilibrium and relativistic thermodynamics

    E-Print Network [OSTI]

    P. Ván

    2011-02-01

    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.

  2. Inertial range turbulence in kinetic plasmas

    E-Print Network [OSTI]

    Howes, G G

    2007-01-01

    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...

  3. Multidimensional simulation and chemical kinetics development...

    Energy Savers [EERE]

    Multidimensional simulation and chemical kinetics development for high efficiency clean combustion engines Multidimensional simulation and chemical kinetics development for high...

  4. KineticsFinal Report Cover Page Bakajin, O 59 BASIC BIOLOGICAL...

    Office of Scientific and Technical Information (OSTI)

    KineticsFinal Report Cover Page Bakajin, O 59 BASIC BIOLOGICAL SCIENCES; 42 ENGINEERING; CONSUMPTION RATES; DEAD TIME; DETECTION; DIFFUSION; DNA; ENERGY TRANSFER; FABRICATION;...

  5. Note on numerical study of the beam energy spread in NDCX-I

    E-Print Network [OSTI]

    Vay, J.-L.

    2011-01-01

    energy vs z\\ (top-right) kinetic energy vz (r,z), colored byenergy vs z; (top-right) kinetic energy vz (r,z), colored byenergy vs z; (top-right) kinetic energy vz (r,z), colored by

  6. Modeling the Kinetics of Bimolecular Reactions Antonio Fernandez-Ramos

    E-Print Network [OSTI]

    Truhlar, Donald G

    -dependent energy transfer processes. The section on thermal reactions has a heavy emphasis on (generalized-Phase Thermal Reactions 4518 2.1. Thermodynamics: Enthalpies and Free Energies of Reaction 4518 2.2. Kinetics 4520 2.2.1. Arrhenius Parameters and Free Energy of Activation 4520 2.2.2. Collision Theory 4521 2

  7. 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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIX E LISTStar2-0057-EAInvervar Hydro JumpHuariKeewatinKenya:

  8. An Energy-Based Approach to Power System Analysis

    E-Print Network [OSTI]

    Caliskan, Sina Yamac

    2015-01-01

    the sum of kinetic and potential energies, i.e. Hamiltonian,the sum of the kinetic and the potential energy, of a single

  9. Kinetic distance and kinetic maps from molecular dynamics simulation

    E-Print Network [OSTI]

    Noe, Frank

    2015-01-01

    Characterizing macromolecular kinetics from molecular dynamics (MD) simulations requires a distance metric that can distinguish slowly-interconverting states. Here we build upon diffusion map theory and define a kinetic distance for irreducible Markov processes that quantifies how slowly molecular conformations interconvert. The kinetic distance can be computed given a model that approximates the eigenvalues and eigenvectors (reaction coordinates) of the MD Markov operator. Here we employ the time-lagged independent component analysis (TICA). The TICA components can be scaled to provide a kinetic map in which the Euclidean distance corresponds to the kinetic distance. As a result, the question of how many TICA dimensions should be kept in a dimensionality reduction approach becomes obsolete, and one parameter less needs to be specified in the kinetic model construction. We demonstrate the approach using TICA and Markov state model (MSM) analyses for illustrative models, protein conformation dynamics in bovine...

  10. Conservation of Energy Academic Resource Center

    E-Print Network [OSTI]

    Heller, Barbara

    Concepts Kinetic Energy Gravitational Potential Energy Elastic Potential Energy · Example Conceptual thusly: "A body in motion has energy of motion, or kinetic energy." #12;Potential Energy According have the kinetic energy at the bottom of the swing in terms of the potential energy at the beginning

  11. Chemical kinetics modeling

    SciTech Connect (OSTI)

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

    1993-12-01

    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.

  12. Physics 321 Energy Conservation Potential Energy in

    E-Print Network [OSTI]

    Hart, Gus

    Physics 321 Hour 7 Energy Conservation ­ Potential Energy in One Dimension Bottom Line · Energy is conserved. · Kinetic energy is a definite concept. · If we can determine the kinetic energy at all points in space by knowing it at one point in space, we can invent a potential energy so that energy can

  13. Kinetics of coal pyrolysis

    SciTech Connect (OSTI)

    Seery, D.J.; Freihaut, J.D.; Proscia, W.M. ); Howard, J.B.; Peters, W.; Hsu, J.; Hajaligol, M.; Sarofim, A. ); Jenkins, R.; Mallin, J.; Espindola-Merin, B. ); Essenhigh, R.; Misra, M.K. )

    1989-07-01

    This report contains results of a coordinated, multi-laboratory investigation of coal devolatilization. Data is reported pertaining to the devolatilization for bituminous coals over three orders of magnitude in apparent heating rate (100 to 100,000 + {degree}C/sec), over two orders of magnitude in particle size (20 to 700 microns), final particle temperatures from 400 to 1600{degree}C, heat transfer modes ranging from convection to radiative, ambient pressure ranging from near vacuum to one atmosphere pressure. The heat transfer characteristics of the reactors are reported in detail. It is assumed the experimental results are to form the basis of a devolatilization data base. Empirical rate expressions are developed for each phase of devolatilization which, when coupled to an awareness of the heat transfer rate potential of a particular devolatilization reactor, indicate the kinetics emphasized by a particular system reactor plus coal sample. The analysis indicates the particular phase of devolatilization that will be emphasized by a particular reactor type and, thereby, the kinetic expressions appropriate to that devolatilization system. Engineering rate expressions are developed from the empirical rate expressions in the context of a fundamental understanding of coal devolatilization developed in the course of the investigation. 164 refs., 223 figs., 44 tabs.

  14. Kinetic Vlasov Simulations of collisionless magnetic Reconnection H. Schmitz and R. Grauer

    E-Print Network [OSTI]

    Grauer, Rainer

    Theoretische Physik I, Ruhr-Universit¨at, 44780 Bochum, Germany A fully kinetic Vlasov simulation which allows magnetized plasmas to convert the energy stored in the field lines into kinetic energy it allows par- ticles from the solar wind to enter the magnetosphere. Also it is believed to be the main

  15. Energy 101: Hydropower

    SciTech Connect (OSTI)

    2013-04-01

    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

    2013-04-24

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

  17. Kinetic regulation of coated vesicle secretion

    E-Print Network [OSTI]

    Lionel Foret; Pierre Sens

    2008-07-28

    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.

  18. Advanced Organic Vapor Cycles for Improving Thermal Conversion Efficiency in Renewable Energy Systems

    E-Print Network [OSTI]

    Ho, Tony

    2012-01-01

    the working fluid’s kinetic and potential energies have alsoworking fluid’s kinetic and potential energies changes areChanges in kinetic and potential energies are neglected and

  19. Stratospheric sulfur oxidation kinetics

    SciTech Connect (OSTI)

    Jayne, J.T.; Worsnop, D.R.; Kolb, C.E. [Aerodyne Research, Inc., Billerica, MA (United States)] [and others

    1995-12-31

    Oxidation of SO2 to H2SO4 in the atmosphere is believed to involve the reaction of SO3 with water. It is commonly assumed that this is an important step leading to homogeneous nucleation of H2SO4 aerosol particles. Heterogeneous chemistry on sulfuric acid aerosols regulate much of the ozone photochemistry in the lower stratosphere and are also believed to have significant effect on the climate. Understanding aerosol loading requires a detailed knowledge of the stratospheric sulfur budget, including its oxidation kinetics. Here we present results of a laboratory project studying a key step in the oxidation process, the homogeneous reaction between SO3 and H2O vapor. Kinetic measurements are performed in a high-pressure turbulent fast-flow reactor (fabricated at MIT) which minimizes heterogeneous loss of SO3 on reactorwalls. The rate of decay of SO3 and the appearance of H2SO4 is monitored in the presence of excess water vapor. Gas phase reactants and products are detected via an atmospheric pressure chemical ionization mass spectrometer which is coupled to the exit of the flow reactor. Sulfuric acid nucleation studies can also be performed using the turbulent flow reactor. Initial measurements using a particle detector (based on Mie scattering) showed that aerosol formation and particle size distribution are controlled by varying the SO3/H2O gas ratio and the reactor temperature. Results for the reaction SO3J+ H2O show a second order dependence in water vapor density and a strong negative temperature dependence. The results, measured in the range -30C to +95C, imply that an SO3.H2O adduct and/or a water dimer species is likely involved in the reaction mechanism. Results of recent theoretical calculations on the SO3 + H2O system also support the finding that two water molecules are involved. Implications for the gas phase production of sulfuric acid in the atmosphere will be discussed.

  20. Direct Kinetic Measurements of a Criegee Intermediate

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

    Direct Kinetic Measurements of a Criegee Intermediate Direct Kinetic Measurements of a Criegee Intermediate Print Wednesday, 25 January 2012 00:00 In the earth's troposphere, which...

  1. Scaling Behavior of Transverse Kinetic Energy Distributions in Au+Au Collisions at $\\sqrt{s_{\\rm NN}}=200$ GeV

    E-Print Network [OSTI]

    L. L. Zhu; H. Zheng; C. B. Yang

    2008-01-15

    With the experimental data from STAR on the centrality dependence of transverse momentum $p_T$ spectra of pions and protons in Au+Au collisions at $\\sqrt{s_{NN}}=200 {\\rm GeV}$, we investigate the scaling properties of transverse energy $E_T$ distributions at different centralities. In the framework of cluster formation and decay mechanism for particle production, the universal transverse energy distributions for pion and proton can be described separately but not simultaneously.

  2. Elementary gas kinetic theory. Today we will give kinetic theory definitions to main macroscopic

    E-Print Network [OSTI]

    Alexeenko, Alina

    proportional to mean kinetic energy of thermal motion. p= nmv- v0 2 3 = nm v 2 3 . #12;7 Derivation of Avogadro . #12;8 Avogadro's Law Number of molecules in a volume of gas is a quantity of particles in a given of C12 =6.022x1023 atoms. NA =6.022x1023 ­ Avogadro number. The volume V0 occupied by a mole of ideal

  3. Detailed Chemical Kinetic Modeling of Cyclohexane Oxidation

    SciTech Connect (OSTI)

    Silke, E J; Pitz, W J; Westbrook, C K; Ribaucour, M

    2006-11-10

    A detailed chemical kinetic mechanism has been developed and used to study the oxidation of cyclohexane at both low and high temperatures. Reaction rate constant rules are developed for the low temperature combustion of cyclohexane. These rules can be used for in chemical kinetic mechanisms for other cycloalkanes. Since cyclohexane produces only one type of cyclohexyl radical, much of the low temperature chemistry of cyclohexane is described in terms of one potential energy diagram showing the reaction of cyclohexyl radical + O{sub 2} through five, six and seven membered ring transition states. The direct elimination of cyclohexene and HO{sub 2} from RO{sub 2} is included in the treatment using a modified rate constant of Cavallotti et al. Published and unpublished data from the Lille rapid compression machine, as well as jet-stirred reactor data are used to validate the mechanism. The effect of heat loss is included in the simulations, an improvement on previous studies on cyclohexane. Calculations indicated that the production of 1,2-epoxycyclohexane observed in the experiments can not be simulated based on the current understanding of low temperature chemistry. Possible 'alternative' H-atom isomerizations leading to different products from the parent O{sub 2}QOOH radical were included in the low temperature chemical kinetic mechanism and were found to play a significant role.

  4. On the relationships between Michaelis–Menten kinetics, reverse Michaelis–Menten kinetics, Equilibrium Chemistry Approximation kinetics and quadratic kinetics

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

    Tang, J. Y.

    2015-09-03

    The Michaelis–Menten kinetics and the reverse Michaelis–Menten kinetics are two popular mathematical formulations used in many land biogeochemical models to describe how microbes and plants would respond to changes in substrate abundance. However, the criteria of when to use which of the two are often ambiguous. Here I show that these two kinetics are special approximations to the Equilibrium Chemistry Approximation kinetics, which is the first order approximation to the quadratic kinetics that solves the equation of enzyme-substrate complex exactly for a single enzyme single substrate biogeochemical reaction with the law of mass action and the assumption of quasi-steady-state formore »the enzyme-substrate complex and that the product genesis from enzyme-substrate complex is much slower than the equilibration between enzyme-substrate complexes, substrates and enzymes. In particular, I showed that the derivation of the Michaelis–Menten kinetics does not consider the mass balance constraint of the substrate, and the reverse Michaelis–Menten kinetics does not consider the mass balance constraint of the enzyme, whereas both of these constraints are taken into account in the Equilibrium Chemistry Approximation kinetics. By benchmarking against predictions from the quadratic kinetics for a wide range of substrate and enzyme concentrations, the Michaelis–Menten kinetics was found to persistently under-predict the normalized sensitivity ? ln v / ? ln k2+ of the reaction velocity v with respect to the maximum product genesis rate k2+, persistently over-predict the normalized sensitivity ? ln v / ? ln k1+ of v with respect to the intrinsic substrate affinity k1+, persistently over-predict the normalized sensitivity ? ln v / ? ln [ E ]T of v with respect the total enzyme concentration [ E ]T and persistently under-predict the normalized sensitivity ? ln v / ? ln [ S ]T of v with respect to the total substrate concentration [ S ]T. Meanwhile, the reverse Michaelis–Menten kinetics persistently under-predicts ? ln v / ? ln k2+ and ? ln v / ? ln [ E ]T, and persistently over-predicts ? ln v / ? ln k1+ and ? ln v / ? ln [ S ]T. In contrast, the Equilibrium Chemistry Approximation kinetics always gives consistent predictions of ? ln v / ? ln k2+, ? ln v / ? ln k1+, ? ln v / ? ln [ E ]T and ? ln v / ? ln [ S ]T. Since the Equilibrium Chemistry Approximation kinetics includes the advantages from both the Michaelis–Menten kinetics and the reverse Michaelis–Menten kinetics and it is applicable for almost the whole range of substrate and enzyme abundances, soil biogeochemical modelers therefore no longer need to choose when to use the Michaelis–Menten kinetics or the reverse Michaelis–Menten kinetics. I expect removing this choice ambiguity will make it easier to formulate more robust and consistent land biogeochemical models.« less

  5. General non-minimal kinetic coupling to gravity

    SciTech Connect (OSTI)

    Granda, L.N.; Cardona, W. E-mail: wilalbca@univalle.edu.co

    2010-07-01

    We study a model of scalar field with a general non-minimal kinetic coupling to itself and to the curvature, as a source of dark energy, and analyze the cosmological dynamics of this model and the issue of accelerated expansion. Solutions giving rise to power-law expansion have been found. The dynamical equation of state is studied for the two cases, without and with free kinetic term . In the first case, a behavior very close to that of the cosmological constant was found. In the second case, a solution was found, which match the current phenomenology of the dark energy. The model shows a rich variety of dynamical scenarios.

  6. Search results | Department of Energy

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

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

  7. Search results | Department of Energy

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

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

  8. Search results | Department of Energy

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

    in 2007. http:energy.goveerevideosre-building-greensburg Video Energy 101: Hydroelectric Power Learn how hydropower captures the kinetic energy of flowing water and turns it...

  9. Search results | Department of Energy

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

    http:energy.goveerevideosenergy-101-fuel-cell-technology Video Energy 101: Hydroelectric Power Learn how hydropower captures the kinetic energy of flowing water and turns it...

  10. Magnetic Field Rotations in the Solar Wind at Kinetic Scales

    E-Print Network [OSTI]

    Chen, C H K; Burgess, D; Horbury, T S

    2015-01-01

    The solar wind magnetic field contains rotations at a broad range of scales, which have been extensively studied in the MHD range. Here we present an extension of this analysis to the range between ion and electron kinetic scales. The distribution of rotation angles was found to be approximately log-normal, shifting to smaller angles at smaller scales almost self-similarly, but with small, statistically significant changes of shape. The fraction of energy in fluctuations with angles larger than $\\alpha$ was found to drop approximately exponentially with $\\alpha$, with e-folding angle $9.8^\\circ$ at ion scales and $0.66^\\circ$ at electron scales, showing that large angles ($\\alpha > 30^\\circ$) do not contain a significant amount of energy at kinetic scales. Implications for kinetic turbulence theory and the dissipation of solar wind turbulence are discussed.

  11. Sandia Energy - Chemistry of Autoignition

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

    Chemistry of Autoignition Home Transportation Energy Predictive Simulation of Engines Combustion Chemistry Combustion Kinetics Chemistry of Autoignition Chemistry of...

  12. An Alternative Derivation of Gas Pressure Using the Kinetic Theory Frank Rioux

    E-Print Network [OSTI]

    Rioux, Frank

    and Co., New York, 1998, pp 23-25. 2. Carpenter, D. K. J. Chem. Educ. 1966, 43, 332. 3. A survey of 15An Alternative Derivation of Gas Pressure Using the Kinetic Theory Frank Rioux Department that we conclude that the average molar kinetic energy of a gas is proportional to its absolute

  13. Effect of driving frequency on excitation of turbulence in a kinetic plasma T. N. Parashar,1

    E-Print Network [OSTI]

    Shay, Michael

    Heating of solar corona and heating of solar wind (e.g., Refs. 1 and 2) are two long standing questions to transport energy to the small scales where it is dissipated through kinetic processes. The details of which include self-consistent kinetic dissipation at ion scales. Building on previous hybrid simulation studies

  14. Electron beam kinetics: numerical results Discussion of the experiments

    E-Print Network [OSTI]

    Zharkova, Valentina V.

    Electron beam kinetics: numerical results Discussion of the experiments In all the experiments the first set of Figures presents the differential energy spectra dN/dE for electron beams at a given depth presents the beam's mean electron flux. For comparison all the results for Experiments 1-3 are presented

  15. Thermal Decomposition of Natural Fibers: Global Kinetic Modeling with Nonisothermal

    E-Print Network [OSTI]

    with consideration of fiber as one pseudocomponent. Ma´lek method with activation energy values previously obtainedThermal Decomposition of Natural Fibers: Global Kinetic Modeling with Nonisothermal.interscience.wiley.com). ABSTRACT: The modeling of thermal decomposition process of ten natural fibers commonly used in polymer

  16. Active Polymers Confer Fast Reorganization Kinetics

    E-Print Network [OSTI]

    Douglas Swanson; Ned S. Wingreen

    2011-10-02

    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

  17. Chemical kinetics and combustion modeling

    SciTech Connect (OSTI)

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

    1993-12-01

    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.

  18. Chemical Kinetic Research on HCCI & Diesel Fuels | Department...

    Office of Environmental Management (EM)

    alternative fuel utilization: detailed kinetic combustion modeling & experimental testing Chemical Kinetic Modeling of Fuels Chemical Kinetic Research on HCCI & Diesel Fuels...

  19. Kinetics of the carbon monoxide oxidation reaction under microwave heating

    SciTech Connect (OSTI)

    Perry, W.L.; Katz, J.D.; Rees, D.; Paffett, M.T. [Los Alamos National Lab., NM (United States); Datye, A. [Univ. of New Mexico, Albuquerque, NM (United States)

    1996-06-01

    915 MHz microwave heating has been used to drive the CO oxidation reaction over Pd/Al{sub 2}O{sub 3} with out significantly affecting the reaction kinetics. As compared to an identical conventionally heated system, the activation energy, pre-exponential factor, and reaction order with respect to CO were unchanged. Temperature was measured using a thermocouple extrapolation technique. Microwave-induced thermal gradients were found to play a significant role in kinetic observations. The authors chose the CO oxidation reaction over a supported metal catalyst because the reaction kinetics are well known, and because of the diverse dielectric properties of the various elements in the system: CO is a polar molecule, O{sub 2} and CO{sub 2} are non-polar, Al{sub 2}O{sub 3} is a dielectric, and Pt and Pd are conductors.

  20. Widening the Axion Window via Kinetic and Stückelberg Mixings

    E-Print Network [OSTI]

    Gary Shiu; Wieland Staessens; Fang Ye

    2015-11-17

    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.

  1. Medicinal Chemistry and Enzyme Kinetics

    E-Print Network [OSTI]

    Truhlar, Donald G

    Prof. Donald G. Truhlar, Department of Chemistry, February 2007 Recent Results ·Novel analytic functionMedicinal Chemistry and Enzyme Kinetics Elizabeth Amin and C. R. Wagner, Medicinal Chemistry Jiali Gao, Chemistry Don Truhlar, Chemistry February 2007 #12;Zn Metalloprotein Force Field Design ·Zn

  2. Separating the Kinetic and Sorption Parameters of Mixed Chlorinated Solvents in Contact with Granular Iron

    E-Print Network [OSTI]

    Huang, Bei

    2011-08-31

    , validating the methodology. Finally, the activation energy of the 4-chloronitrobenzene reacting with two types of granular iron, Connelly iron and QMP, in batch reactors was obtained to assess the role of mass transfer in controlling the kinetics. Previous...

  3. The Hydriding Kinetics of Organic Hydrogen Getters

    SciTech Connect (OSTI)

    Powell, G. L.

    2002-02-11

    The aging of hermetically sealed systems is often accompanied by the gradual production of hydrogen gas that is a result of the decay of environmental gases and the degradation of organic materials. In particular, the oxygen, water, hydrogen ''equilibrium'' is affected by the removal of oxygen due the oxidation of metals and organic materials. This shift of the above ''equilibrium'' towards the formation of hydrogen gas, particularly in crevices, may eventually reach an explosive level of hydrogen gas or degrade metals by hydriding them. The latter process is generally delayed until the oxidizing species are significantly reduced. Organic hydrogen getters introduced by Allied Signal Aerospace Company, Kansas City Division have proven to be a very effective means of preventing hydrogen gas accumulation in sealed containers. These getters are relatively unaffected by air and environmental gases. They can be packaged in a variety of ways to fit particular needs such as porous pellets, fine or coarse [gravel] powder, or loaded into silicone rubber. The hydrogen gettering reactions are extremely irreversible since the hydrogen gas is converted into an organic hydrocarbon. These getters are based on the palladium-catalyzed hydrogenation of triple bonds to double and then single bonds in aromatic aryl compounds. DEB (1,4 bis (phenyl ethynyl) benzene) typically mixed with 25% by weight carbon with palladium (1% by weight of carbon) is one of the newest and best of these organic hydrogen getters. The reaction mechanisms are complex involving solid state reaction with a heterogeneous catalyst leading to the many intermediates, including mixed alkyl and aryl hydrocarbons with the possibilities of many isomers. The reaction kinetics mechanisms are also strongly influenced by the form in which they are packaged. For example, the hydriding rates for pellets and gravel have a strong dependence on reaction extent (i.e., DEB reduction) and a kinetic order in pressure of 0.76. Silicone rubber based DEB getters hydride at a much lower rate, have little dependence on reaction extent, have a higher kinetic order in pressure (0.87), and have a lower activation energy. The kinetics of the reaction as a function of hydrogen pressure, stoichiometry, and temperature for hydrogen and deuterium near ambient temperature (0 to 75 C) for pressures near or below 100 Pa over a wide range (in some cases, the complete) hydrogenation range are presented along with multi-dimensional rate models.

  4. Search results | Department of Energy

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

    results Search results Enter terms Search Showing 1 - 10 of 11 results. Video Energy 101: Hydroelectric Power Learn how hydropower captures the kinetic energy of flowing water and...

  5. 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...

  6. Search results | Department of Energy

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

    Water Search results Search results Enter terms Search Showing 1 - 10 of 10 results. Video Energy 101: Hydroelectric Power Learn how hydropower captures the kinetic energy of...

  7. Search results | Department of Energy

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

    Renewables Search 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...

  8. Search results | Department of Energy

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

    Water Search 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...

  9. Search results | Department of Energy

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

    results Enter terms Search Showing 1 - 10 of 11 results. Video Energy 101: Hydroelectric Power Learn how hydropower captures the kinetic energy of flowing water and turns it...

  10. 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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION JEnvironmental Jump to:EAand Dalton JumpProgram |RecentSulfonate as401 WaterADNRAEP Ohio Place:AER

  11. 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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIXsource History View NewGuam:onItronKanoshKetchikan Public UtilitiesKiloa metamorphic

  12. 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)

    2014-04-15

    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.

  13. Benchmarking kinetic calculations of resistive wall mode stability

    SciTech Connect (OSTI)

    Berkery, J. W.; Sabbagh, S. A.; Liu, Y. Q.; Betti, R.

    2014-05-15

    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)].

  14. MSE 3050, Phase Diagrams and Kinetics, Leonid Zhigilei Review of classical thermodynamics

    E-Print Network [OSTI]

    Zhigilei, Leonid V.

    and Kinetics, Leonid Zhigilei Gibbs Free Energy: Equilibrium is Trade-off Between Enthalpy and Entropy G = H Fundamental Laws, Properties and Processes (3) Fundamental equations The Helmholtz Free Energy The Gibbs Free function is the Gibbs free energy (also called free enthalpy) G = H - TS V and T pair ­ easy to examine

  15. A kinetic-MHD model for low frequency phenomena

    SciTech Connect (OSTI)

    Cheng, C.Z.

    1991-07-01

    A hybrid kinetic-MHD model for describing low-frequency phenomena in high beta anisotropic plasmas that consist of two components: a low energy core component and an energetic component with low density. The kinetic-MHD model treats the low energy core component by magnetohydrodynamic (MHD) description, the energetic component by kinetic approach such as the gyrokinetic equation, and the coupling between the dynamics of these two components through plasma pressure in the momentum equation. The kinetic-MHD model optimizes both the physics contents and the theoretical efforts in studying low frequency MHD waves and transport phenomena in general magnetic field geometries, and can be easily modified to include the core plasma kinetic effects if necessary. It is applicable to any magnetized collisionless plasma system where the parallel electric field effects are negligibly small. In the linearized limit two coupled eigenmode equations for describing the coupling between the transverse Alfven type and the compressional Alfven type waves are derived. The eigenmode equations are identical to those derived from the full gyrokinetic equation in the low frequency limit and were previously analyzed both analytically nd numerically to obtain the eigenmode structure of the drift mirror instability which explains successfully the multi-satellite observation of antisymmetric field-aligned structure of the compressional magnetic field of Pc 5 waves in the magnetospheric ring current plasma. Finally, a quadratic form is derived to demonstrate the stability of the low-frequency transverse and compressional Alfven type instabilities in terms of the pressure anisotropy parameter {tau} and the magnetic field curvature-pressure gradient parameter. A procedure for determining the stability of a marginally stable MHD wave due to wave-particle resonances is also presented.

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

    E-Print Network [OSTI]

    Sierra Ramirez, Rocio

    2012-02-14

    , industrial, and agricultural). 5. Appropriate selection of feedstock and conversion technology. 6. Improved efficiency of the production technology obtained through intensive research and development. 7. More efficient use of energy, including vehicle...-1 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 for the degree...

  17. Master equation approach to protein folding and kinetic traps

    E-Print Network [OSTI]

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

    1998-04-21

    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.

  18. Pyrolysis kinetics of Melon (Citrullus colocynthis L.) seed husk

    E-Print Network [OSTI]

    Nyakuma, Bemgba Bevan

    2015-01-01

    This study is aimed at investigating the thermochemical fuel characteristics and kinetic decomposition of melon seed husks (MSH) under inert (pyrolysis) conditions. The calorific value, elemental composition, proximate analyses and thermal kinetics of MSH was examined. The kinetic parameters; activation energy E and frequency factor A for MSH decomposition under pyrolysis conditions were determined using the Kissinger and isoconversional Flynn-Wall-Ozawa (FWO) methods. The values of E for MSH ranged from 146.81 to 296 kJ/mol at degrees of conversion {\\alpha} = 0.15 to 0.60 for FWO. The decomposition of MSH process was fastest at {\\alpha} = 0.15 and slowest at {\\alpha} = 0.60 with average E and A values of 192.96 kJ/mol and 2.86 x 1026 min-1, respectively at correlation values of 0.9847. The kinetic values of MSH using the Kissinger method are E = 161.26 kJ/mol and frequency factor, A = 2.08 x 1010 min-1 with the correlation value, R2 = 0.9958. The results indicate that MSH possesses important characteristics ...

  19. 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

  20. 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)

    2013-03-15

    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.

  1. Kinetic Modeling of Microbiological Processes

    SciTech Connect (OSTI)

    Liu, Chongxuan; Fang, Yilin

    2012-09-17

    Kinetic description of microbiological processes is vital for the design and control of microbe-based biotechnologies such as waste water treatment, petroleum oil recovery, and contaminant attenuation and remediation. Various models have been proposed to describe microbiological processes. This editorial article discusses the advantages and limiation of these modeling approaches in cluding tranditional, Monod-type models and derivatives, and recently developed constraint-based approaches. The article also offers the future direction of modeling researches that best suit for petroleum and environmental biotechnologies.

  2. Multiscale Mathematics For Plasma Kinetics Spanning Multiple...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: Multiscale Mathematics For Plasma Kinetics Spanning Multiple Collisionality Regimes Citation Details In-Document Search Title: Multiscale Mathematics For Plasma...

  3. Direct Kinetic Measurements of a Criegee Intermediate

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

    Direct Kinetic Measurements of a Criegee Intermediate Print In the earth's troposphere, which blankets the planet surface where we live and breathe, dust particles, gas molecules,...

  4. The Fractional Kinetic Equation and Thermonuclear Functions

    E-Print Network [OSTI]

    H. J. Haubold; A. M. Mathai

    2000-01-16

    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.

  5. Combustion kinetics and reaction pathways

    SciTech Connect (OSTI)

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

    1993-12-01

    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.

  6. Femtosecond laser pulse driven melting in gold nanorod aqueous colloidal suspension: Identification of a transition from stretched to exponential kinetics

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

    Li, Yuelin; Jiang, Zhang; Lin, Xiao -Min; Wen, Haidan; Walko, Donald A.; Deshmukh, Sanket A.; Subbaraman, Ram; Sankaranarayanan, Subramanian K. R. S.; Gray, Stephen K.; Ho, Phay

    2015-01-30

    Many potential industrial, medical, and environmental applications of metal nanorods rely on the physics and resultant kinetics and dynamics of the interaction of these particles with light. We report a surprising kinetics transition in the global melting of femtosecond laser-driven gold nanorod aqueous colloidal suspension. At low laser intensity, the melting exhibits a stretched exponential kinetics, which abruptly transforms into a compressed exponential kinetics when the laser intensity is raised. It is found the relative formation and reduction rate of intermediate shapes play a key role in the transition. Supported by both molecular dynamics simulations and a kinetic model, themore »behavior is traced back to the persistent heterogeneous nature of the shape dependence of the energy uptake, dissipation and melting of individual nanoparticles. These results could have significant implications for various applications such as water purification and electrolytes for energy storage that involve heat transport between metal nanorod ensembles and surrounding solvents.« less

  7. Chemical kinetics and oil shale process design

    SciTech Connect (OSTI)

    Burnham, A.K.

    1993-07-01

    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.

  8. Nonequilibrium sensing and its analogy to kinetic proofreading

    E-Print Network [OSTI]

    Hartich, David; Seifert, Udo

    2015-01-01

    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.

  9. Active transport: A kinetic description based on thermodynamic grounds

    E-Print Network [OSTI]

    S. Kjelstrup; J. M. Rubi; D. Bedeaux

    2004-12-17

    We show that active transport processes in biological systems can be understood through a local equilibrium description formulated at the mesoscale, the scale to describe stochastic processes. This new approach uses the method established by nonequilibrium thermodynamics to account for the irreversible processes occurring at this scale and provides nonlinear kinetic equations for the rates in terms of the driving forces. The results show that the application domain of nonequilibrium thermodynamics method to biological systems goes beyond the linear domain. A model for transport of Ca$^{2+}$ by the Ca$^{2+}$-ATPase, coupled to the hydrolysis of adenosine-triphosphate is analyzed in detail showing that it depends on the reaction Gibbs energy in a non-linear way. Our results unify thermodynamic and kinetic descriptions, thereby opening new perspectives in the study of different transport phenomena in biological systems.

  10. infall is balanced by outward radiation pressure. Consequently, the kinetic power of the wind is

    E-Print Network [OSTI]

    Baker, David

    infall is balanced by outward radiation pressure. Consequently, the kinetic power of the wind activity phase, such powerful winds would have provided the energy and momentum to self-regulate the black = 0.25 c), the minimum plausible starting point of the wind. The mechanical energy released over

  11. Cooling-rate dependence of kinetic and mechanical stability of simulated glasses

    E-Print Network [OSTI]

    Hannah Staley; Elijah Flenner; Grzegorz Szamel

    2015-01-14

    Recently, ultrastable glasses have been created through vapor deposition. Subsequently, computer simulation algorithms have been proposed that mimic the vapor deposition process and result in simulated glasses with increased stability. In addition, random pinning has been used to generate very stable glassy configurations without the need for lengthy annealing or special algorithms inspired by vapor deposition. Kinetic and mechanical stability of experimental ultrastable glasses is compared to those of experimental glasses formed by cooling. We provide the basis for a similar comparison for simulated stable glasses: we analyze the kinetic and mechanical stability of simulated glasses formed by cooling at a constant rate by examining the transformation time to a liquid upon rapid re-heating, the inherent structure energies, and the shear modulus. The kinetic and structural stability increases slowly with decreasing cooling rate. The methods outlined here can be used to assess kinetic and mechanical stability of simulated glasses generated by using specialized algorithms.

  12. Microfluidics: Kinetics of Hybridized DNA With Fluid Flow Variations...

    Office of Scientific and Technical Information (OSTI)

    Conference: Microfluidics: Kinetics of Hybridized DNA With Fluid Flow Variations. Citation Details In-Document Search Title: Microfluidics: Kinetics of Hybridized DNA With Fluid...

  13. Model simplification of chemical kinetic systems under uncertainty

    E-Print Network [OSTI]

    Coles, Thomas Michael Kyte

    2011-01-01

    This thesis investigates the impact of uncertainty on the reduction and simplification of chemical kinetics mechanisms. Chemical kinetics simulations of complex fuels are very computationally expensive, especially when ...

  14. Large kinetic asymmetry in the metal-insulator transition nucleated...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Large kinetic asymmetry in the metal-insulator transition nucleated at localized and extended defects Citation Details In-Document Search Title: Large kinetic...

  15. 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...

  16. 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...

  17. 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...

  18. 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 work/kinetic-energy theorem III CONSERVATION of ENERGY. Case: Pure Thermodynamics The First Law

  19. Modeling of Reactor Kinetics and Dynamics

    SciTech Connect (OSTI)

    Matthew Johnson; Scott Lucas; Pavel Tsvetkov

    2010-09-01

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

  20. On the relationships between the Michaelis–Menten kinetics, reverse Michaelis–Menten kinetics, equilibrium chemistry approximation kinetics, and quadratic kinetics

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

    Tang, J. Y.

    2015-12-01

    The Michaelis–Menten kinetics and the reverse Michaelis–Menten kinetics are two popular mathematical formulations used in many land biogeochemical models to describe how microbes and plants would respond to changes in substrate abundance. However, the criteria of when to use either of the two are often ambiguous. Here I show that these two kinetics are special approximations to the equilibrium chemistry approximation (ECA) kinetics, which is the first-order approximation to the quadratic kinetics that solves the equation of an enzyme–substrate complex exactly for a single-enzyme and single-substrate biogeochemical reaction with the law of mass action and the assumption of a quasi-steadymore »state for the enzyme–substrate complex and that the product genesis from enzyme–substrate complex is much slower than the equilibration between enzyme–substrate complexes, substrates, and enzymes. In particular, I show that the derivation of the Michaelis–Menten kinetics does not consider the mass balance constraint of the substrate, and the reverse Michaelis–Menten kinetics does not consider the mass balance constraint of the enzyme, whereas both of these constraints are taken into account in deriving the equilibrium chemistry approximation kinetics. By benchmarking against predictions from the quadratic kinetics for a wide range of substrate and enzyme concentrations, the Michaelis–Menten kinetics was found to persistently underpredict the normalized sensitivity ? ln v / ? ln k2+ of the reaction velocity v with respect to the maximum product genesis rate k2+, persistently overpredict the normalized sensitivity ? ln v / ? ln k1+ of v with respect to the intrinsic substrate affinity k1+, persistently overpredict the normalized sensitivity ? ln v / ? ln [E]T of v with respect the total enzyme concentration [E]T, and persistently underpredict the normalized sensitivity ? ln v / ? ln [S]T of v with respect to the total substrate concentration [S]T. Meanwhile, the reverse Michaelis–Menten kinetics persistently underpredicts ? ln v / ? ln k2+ and ? ln v / ? ln [E]T, and persistently overpredicts ? ln v / ? ln k1+ and ? ln v / ? ln [S]T. In contrast, the equilibrium chemistry approximation kinetics always gives consistent predictions of ? ln v / ? ln k2+, ? ln v / ? ln k1+, ? ln v / ? ln [E]T, and ? ln v / ? ln [S]T, indicating that ECA-based models will be more calibratable if the modeled processes do obey the law of mass action. Since the equilibrium chemistry approximation kinetics includes advantages from both the Michaelis–Menten kinetics and the reverse Michaelis–Menten kinetics and it is applicable for almost the whole range of substrate and enzyme abundances, land biogeochemical modelers therefore no longer need to choose when to use the Michaelis–Menten kinetics or the reverse Michaelis–Menten kinetics. I expect that removing this choice ambiguity will make it easier to formulate more robust and consistent land biogeochemical models.« less

  1. Sandia Energy - High Pressure Chemistry

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

    High Pressure Chemistry Home Transportation Energy Predictive Simulation of Engines Combustion Chemistry Combustion Kinetics High Pressure Chemistry High Pressure ChemistryAshley...

  2. Nonlinear response theory in chemical kinetics

    E-Print Network [OSTI]

    Kryvohuz, M; Mukamel, S

    2014-01-01

    ?D(t) are D 0 (t) = (1) Chemical reactions, N h i ( x , t) iOF NONLINEAR RESPONSE THEORY TO CHEMICAL KINETICS Equation (non- linear responses of chemical systems to perturbations

  3. Time integration methods for reactor kinetics

    E-Print Network [OSTI]

    Nóbrega, José de Anchieta Wanderley da

    A technique based on the Padé approximations is applied to the solution of the point kinetics equations. The method consists of treating explicitly the roots of the inhour formula which would make the Padé approximations ...

  4. Kinetics of Anionic Surfactant Anoxic Degradation 

    E-Print Network [OSTI]

    Camacho, Julianna G.

    2010-07-14

    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 ...

  5. Relativistic (covariant) kinetic theory of linear plasma waves and instabilities

    SciTech Connect (OSTI)

    Lazar, M. [Institut fuer Theoretische Physik, Lehrstuhl IV: Weltraum- und Astrophysik, Ruhr-Universitaet Bochum, D-44780 Bochum (Germany); 'Alexandru Ioan Cuza' University, Faculty of Physics, 6600 Iasi (Romania); Schlickeiser, R. [Institut fuer Theoretische Physik, Lehrstuhl IV: Weltraum- und Astrophysik, Ruhr-Universitaet Bochum, D-44780 Bochum (Germany); Centre for Plasma Science and Astrophysics, Ruhr-University, D-44780 Bochum (Germany)

    2006-06-19

    The fundamental kinetic description is of vital importance in high-energy astrophysics and fusion plasmas where wave phenomena evolve on scales small comparing with binary collision scales. A rigorous relativistic analysis is required even for nonrelativistic plasma temperatures for which the classical theory yielded unphysical results: e.g. collisonless damping of superluminal waves (phase velocity exceeds the speed of light). The existing nonrelativistic approaches are now improved by covariantly correct dispersion theory. As an important application, the Weibel instability has been recently investigated and confirmed as the source of primordial magnetic field in the intergalactic medium.

  6. Bio-butanol: Combustion properties and detailed chemical kinetic model

    SciTech Connect (OSTI)

    Black, G.; Curran, H.J.; Pichon, S.; Simmie, J.M.; Zhukov, V.

    2010-02-15

    Autoignition delay time measurements were performed at equivalence ratios of 0.5, 1 and 2 for butan-1-ol at reflected shock pressures of 1, 2.6 and 8 atm at temperatures from 1100 to 1800 K. High-level ab initio calculations were used to determine enthalpies of formation and consequently bond dissociation energies for each bond in the alcohol. A detailed chemical kinetic model consisting of 1399 reactions involving 234 species was constructed and tested against the delay times and also against recent jet-stirred reactor speciation data with encouraging results. The importance of enol chemistry is highlighted. (author)

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

    SciTech Connect (OSTI)

    Granda, L.N.

    2010-07-01

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

  8. A Semiclassical Kinetic Theory of Dirac Particles and Thomas Precession

    E-Print Network [OSTI]

    Dayi, O F

    2015-01-01

    Kinetic theory of Dirac fermions is studied within the matrix valued differential forms method. It is based on the symplectic form derived by employing the semiclassical wave packet build of the positive energy solutions of the Dirac equation. A satisfactory definition of the distribution matrix elements imposes to work in the basis where the helicity is diagonal which is also needed to attain the massless limit. We show that the kinematic Thomas precession correction can be studied straightforwardly within this approach. It contributes on an equal footing with the Berry gauge fields. In fact in equations of motion it eliminates the terms arising from the Berry gauge fields.

  9. Kinetic equation for a soliton gas Chernogolovka, July 2009

    E-Print Network [OSTI]

    Fominov, Yakov

    Kinetic equation for a soliton gas Gennady El Chernogolovka, July 2009 Gennady El Kinetic equation, Kinetic equation for solitons, JETP (1971) Here we consider only strongly integrable systems (like KdV, NLS etc.) Gennady El Kinetic equation for a soliton gas #12;From N-solitons/N-gap potentials

  10. Fokker–Planck kinetic modeling of suprathermal ?-particles in a fusion plasma

    SciTech Connect (OSTI)

    Peigney, B.E.

    2014-12-01

    We present an ion kinetic model describing the transport of suprathermal ?-particles in inertial fusion targets. The analysis of the underlying physical model enables us to develop efficient numerical methods to simulate the creation, transport and collisional relaxation of fusion reaction products (?-particles) at a kinetic level. The model assumes spherical symmetry in configuration space and axial symmetry in velocity space around the mean flow velocity. A two-energy-scale approach leads to a self-consistent modeling of the coupling between suprathermal ?-particles and the thermal bulk of the imploding plasma. This method provides an accurate numerical treatment of energy deposition and transport processes involving suprathermal particles. The numerical tools presented here are then validated against known analytical results. This enables us to investigate the potential role of ion kinetic effects on the physics of ignition and thermonuclear burn in inertial confinement fusion schemes.

  11. Resonance Van Hove Singularities in Wave Kinetics

    E-Print Network [OSTI]

    Yi-Kang Shi; Gregory Eyink

    2015-07-29

    Wave kinetic theory has been developed to describe the statistical dynamics of weakly nonlinear, dispersive waves. However, we show that systems which are generally dispersive can have resonant sets of wave modes with identical group velocities, leading to a local breakdown of dispersivity. This shows up as a geometric singularity of the resonant manifold and possibly as an infinite phase measure in the collision integral. Such singularities occur widely for classical wave systems, including acoustical waves, Rossby waves, helical waves in rotating fluids, light waves in nonlinear optics and also in quantum transport, e.g. kinetics of electron-hole excitations (matter waves) in graphene. These singularities are the exact analogue of the critical points found by Van Hove in 1953 for phonon dispersion relations in crystals. The importance of these singularities in wave kinetics depends on the dimension of phase space $D=(N-2)d$ ($d$ physical space dimension, $N$ the number of waves in resonance) and the degree of degeneracy $\\delta$ of the critical points. Following Van Hove, we show that non-degenerate singularities lead to finite phase measures for $D>2$ but produce divergences when $D\\leq 2$ and possible breakdown of wave kinetics if the collision integral itself becomes too large (or even infinite). Similar divergences and possible breakdown can occur for degenerate singularities, when $D-\\delta\\leq 2,$ as we find for several physical examples, including electron-hole kinetics in graphene. When the standard kinetic equation breaks down, then one must develop a new singular wave kinetics. We discuss approaches from pioneering 1971 work of Newell \\& Aucoin on multi-scale perturbation theory for acoustic waves and field-theoretic methods based on exact Schwinger-Dyson integral equations for the wave dynamics.

  12. Chemical Kinetic Modeling of Advanced Transportation Fuels

    SciTech Connect (OSTI)

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

    2009-01-20

    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.

  13. Kinetics of Slurry Phase Fischer-Tropsch Synthesis

    SciTech Connect (OSTI)

    Dragomir B. Bukur; Gilbert F. Froment; Tomasz Olewski; Lech Nowicki; Madhav Nayapati

    2006-12-31

    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. Three STSR tests of the Ruhrchemie LP 33/81 catalyst were conducted to collect data on catalyst activity and selectivity under 25 different sets of process conditions. The observed decrease in 1-olefin content and increase in 2-olefin and n-paraffin contents with the increase in conversion are consistent with a concept that 1-olefins participate in secondary reactions (e.g. 1-olefin hydrogenation, isomerization and readsorption), whereas 2-olefins and n-paraffins are formed in these reactions. Carbon number product distribution showed an increase in chain growth probability with increase in chain length. Vapor-liquid equilibrium calculations were made to check validity of the assumption that the gas and liquid phases are in equilibrium during FTS in the STSR. Calculated vapor phase compositions were in excellent agreement with experimental values from the STSR under reaction conditions. Discrepancies between the calculated and experimental values for the liquid-phase composition (for some of the experimental data) are ascribed to experimental errors in the amount of wax collected from the reactor, and the relative amounts of hydrocarbon wax and Durasyn 164 oil (start-up fluid) in the liquid samples. Kinetic parameters of four kinetic models (Lox and Froment, 1993b; Yang et al., 2003; Van der Laan and Beenackers, 1998, 1999; and an extended kinetic model of Van der Laan and Beenackers) were estimated from experimental data in the STSR tests. Two of these kinetic models (Lox and Froment, 1993b; Yang et al., 2003) can predict a complete product distribution (inorganic species and hydrocarbons), whereas the kinetic model of Van der Laan and Beenackers (1998, 1999) can be used only to fit product distribution of total olefins and n-paraffins. The kinetic model of Van der Laan and Beenackers was extended to account separately for formation of 1- and 2-olefins, as well as n-paraffins. A simplified form of the kinetic model of Lox and Froment (1993b) has only five parameters at isothermal conditions. Because of its relative simplicity, this 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. The same techniques and computer codes were used in the analysis of other kinetic models. The Levenberg-Marquardt (LM) method was employed for minimization of the objective function and kinetic parameter estimation. Predicted reaction rates of inorganic and hydrocarbon species were not in good agreement with experimental data. All reaction rate constants and activation energies (24 parameters) of the Yang et al. (2003) model were found to be positive, but the corresponding 95% confidence intervals were large. Agreement between predicted and experimental reaction rates has been fair to good. Light hydrocarbons were predicted fairly accurately, whereas the model predictions of higher molecular weight hydrocarbons values were lower than the experimental ones. The Van der Laan and Beenackers kinetic model (known as olefin readsorption product distribution model = ORPDM) provided a very good fit of the experimental data for hydrocarbons (total olefins and n-paraffins) up to about C{sub 20} (with the exception of experimental data that showed higher paraffin formation rates in C{sub 12}-C{sub 25} region, due to hydrocracking or other secondary reactions). Estimated values of all model parameters (true and pseudo-kinetic parameters) had high statistical significance after combining parameters related to olefin termination and readsorption into one (total of 7 model parameters). The original ORPDM was extended to account separately for formation of 1- and 2-olefins, and successfully employed to fit experimental data of three majo

  14. 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

  15. Solvent Polarization and Kinetic Isotope Effects in Nitroethane Deprotonation and Implications to the Nitroalkane Oxidase Reaction

    E-Print Network [OSTI]

    Minnesota, University of

    Solvent Polarization and Kinetic Isotope Effects in Nitroethane Deprotonation and Implications proton abstraction, and nitroalkane ionization is predicted to have large solvent effects with increased free energy barrier in protic solvents.1,2 The deprotonation of nitroalkanes is catalyzed by the flavo

  16. Solvent relaxation effects on the kinetics of photoinduced electron transfer reactions

    E-Print Network [OSTI]

    Fayer, Michael D.

    Solvent relaxation effects on the kinetics of photoinduced electron transfer reactions J. Najbar formation and recombination of radical- ion pairs limited by solvent dielectric relaxation. The problem). Solvent relaxation moves the system to lower energy on the radical-ion pair surface where crossing

  17. Ab-initio Kinetic Monte Carlo Model of Ionic Conduction in Bulk Yttria-stabilized Zirconia

    E-Print Network [OSTI]

    Cai, Wei

    Ab-initio Kinetic Monte Carlo Model of Ionic Conduction in Bulk Yttria-stabilized Zirconia Eunseok in bulk single crystal Yttria-stabilized Zirconia. An interacting energy barrier model is developed dynamics to simulate the vacancy diffusion in Yttria-stabilized Zirconia (YSZ). They concluded

  18. Kinetics of hydrogen-transfer isomerizations of butoxyl radicalsw Jingjing Zheng and Donald G. Truhlar*

    E-Print Network [OSTI]

    Truhlar, Donald G

    energy density, ability to be blended at higher concentrations, and high tolerance to water contaminationKinetics of hydrogen-transfer isomerizations of butoxyl radicalsw Jingjing Zheng and Donald G on the web 25th May 2010 DOI: 10.1039/b927504e Five isomerization reactions involving intramolecular hydrogen

  19. Neptunium Binding Kinetics with Arsenazo(III)

    SciTech Connect (OSTI)

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

    2014-08-01

    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.

  20. A simple theory of protein folding kinetics

    E-Print Network [OSTI]

    Pande, Vijay S

    2010-01-01

    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.

  1. Resonance Van Hove Singularities in Wave Kinetics

    E-Print Network [OSTI]

    Shi, Yi-Kang

    2015-01-01

    Wave kinetic theory has been developed to describe the statistical dynamics of weakly nonlinear, dispersive waves. However, we show that systems which are generally dispersive can have resonant sets of wave modes with identical group velocities, leading to a local breakdown of dispersivity. This shows up as a geometric singularity of the resonant manifold and possibly as an infinite phase measure in the collision integral. Such singularities occur widely for classical wave systems, including acoustical waves, Rossby waves, helical waves in rotating fluids, light waves in nonlinear optics and also in quantum transport, e.g. kinetics of electron-hole excitations (matter waves) in graphene. These singularities are the exact analogue of the critical points found by Van Hove in 1953 for phonon dispersion relations in crystals. The importance of these singularities in wave kinetics depends on the dimension of phase space $D=(N-2)d$ ($d$ physical space dimension, $N$ the number of waves in resonance) and the degree ...

  2. Twenty Five Years of Vibrational Kinetics and Negative Ion Production in H2 Plasmas: Modelling Aspects

    SciTech Connect (OSTI)

    Capitelli, M.; De Pascale, O.; Diomede, P.; Gorse, C.; Longo, S.; Pagano, D.; Gicquel, A.; Hassouni, K.

    2005-04-06

    Different approaches to study vibrational kinetics coupled to electron one for modeling different kinds of negative ion sources are presented. In particular two types of sources are investigated. The first one is a classical negative ion source in which the plasma is generated by thermoemitted electrons; in the second one, electrons already present in the mixture are accelerated by an RF field to sufficiently high energy to ionize the gas molecules. For the first kind of ion source a new computational scheme is presented to couple heavy particle and electron kinetics. Moreover models developed for an RF inductive discharge and for a parallel plate discharge are described.

  3. Kinetic studies of elementary chemical reactions

    SciTech Connect (OSTI)

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

    1993-12-01

    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.

  4. Beilstein-Institut Reflections on Energy Conversion in

    E-Print Network [OSTI]

    2011 Abstract In principle any form of energy (light, electrical, potential, chemical, kinetic energy to drive metabolism involves no hydrolysis at all, and it is exactly because there is no hydrolysis potential energy, kinetic energy and electrical energy can be made directly, and with high efficiency

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

    SciTech Connect (OSTI)

    Schmidt, A.; Link, A.; Welch, D.; Ellsworth, J.; Falabella, S.; Tang, V.

    2014-06-01

    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.

  6. Growth kinetics of Al–Fe intermetallic compounds during annealing treatment of friction stir lap welds

    SciTech Connect (OSTI)

    Movahedi, M., E-mail: m_movahedi@sharif.edu [Department of Materials Science and Engineering, Sharif University of Technology, P.O. Box 11365-9466, Azadi Ave., Tehran (Iran, Islamic Republic of); Kokabi, A.H., E-mail: kokabi@sharif.edu [Department of Materials Science and Engineering, Sharif University of Technology, P.O. Box 11365-9466, Azadi Ave., Tehran (Iran, Islamic Republic of); Seyed Reihani, S.M., E-mail: reihani@sharif.edu [Department of Materials Science and Engineering, Sharif University of Technology, P.O. Box 11365-9466, Azadi Ave., Tehran (Iran, Islamic Republic of); Najafi, H., E-mail: hossein.najafi@epfl.ch [Institute of Condensed Matter Physics (ICMP), EPFL, CH-1015 Lausanne (Switzerland); Farzadfar, S.A., E-mail: seyed-amir.farzadfar@mail.mcgill.ca [McGill University, Department of Materials Engineering, Montreal, QC H3A 2B2 (Canada); Cheng, W.J., E-mail: d9603505@mail.ntust.edu.tw [Department of Mechanical Engineering, National Taiwan University of Science and Technology, Taipei 10607, Taiwan, ROC (China); Wang, C.J., E-mail: cjwang@mail.ntust.edu.tw [Department of Mechanical Engineering, National Taiwan University of Science and Technology, Taipei 10607, Taiwan, ROC (China)

    2014-04-01

    In this study, we explored the growth kinetics of the Al–Fe intermetallic (IM) layer at the joint interface of the St-12/Al-5083 friction stir lap welds during post-weld annealing treatment at 350, 400 and 450 °C for 30 to 180 min. Optical microscope (OM), field emission gun scanning electron microscope (FEG-SEM) and transmission electron microscope (TEM) were employed to investigate the structure of the weld zone. The thickness and composition of the IM layers were evaluated using image analysis system and electron back-scatter diffraction (EBSD), respectively. Moreover, kernel average misorientation (KAM) analysis was performed to evaluate the level of stored energy in the as-welded state. The results showed that the growth kinetics of the IM layer was not governed by a parabolic diffusion law. Presence of the IM compounds as well as high stored energy near the joint interface of the as-welded sample was recognized to be the origin of the observed deviation from the parabolic diffusion law. - Highlights: • This work provided a new insight into growth kinetics of Al–Fe IM thickness. • The growth kinetics of IM layer was not governed by a parabolic diffusion law. • IM near the joint interface was the origin of deviation from the parabolic law. • High stored energy at joint interface was origin of deviation from parabolic law.

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

    E-Print Network [OSTI]

    Hossein Fazli; Ramin Golestanian

    2007-09-04

    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.

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

    E-Print Network [OSTI]

    Shiu, Gary; Ye, Fang

    2015-01-01

    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.

  9. Nonlocal kinetic equation: integrable hydrodynamic reductions, symmetries

    E-Print Network [OSTI]

    , Troitsk, Moscow Region, Russia Lebedev Physical Institute, Russian Academy of Sciences, Moscow § SISSA, Trieste, Italy, and Institute of Metal Physics, Urals Division of Russian Academy of Sciences, Ekaterinburg, Russia We study a new class of nonlinear kinetic equations recently derived in the context

  10. 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

  11. Calcite Reaction Kinetics in Saline Waters 

    E-Print Network [OSTI]

    Finneran, David

    2012-02-14

    The effect of ionic strength (I), pCO2, and temperature on the reaction kinetics of calcite was investigated in magnesium-free, phosphate-free, low calcium (mCa^2 ? 0.01 – 0.02 molal) simple KCl and NaCl solutions from both undersaturated...

  12. 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

  13. Computationally Efficient Model for Dopant Precipitation Kinetics

    E-Print Network [OSTI]

    Dunham, Scott

    Computationally Efficient Model for Dopant Precipitation Kinetics Iuval Clejan and Scott T. Dunham and precipitates. Dopant deactivation is typically modeled using a steady­state solid solubility or clustering such as dopant activation/deactivation, it is essential to consider the fact that precipitation involves a range

  14. 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 ...

  15. ORGANIC MASS SPECTROMETRY,VOL. 23,54-56 (1988) Thermochemical vs. Kinetic Control of Reactions in an Ion Trap Mass

    E-Print Network [OSTI]

    Wysocki, Vicki H.

    1988-01-01

    ORGANIC MASS SPECTROMETRY,VOL. 23,54-56 (1988) OMS Letter Dear Sir Thermochemical vs. Kinetic energies. 519 REACTlON COORDINATE Figure 1. Enthalpies associated with deamination and dehydratt o n

  16. 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

    2009-05-09

    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.

  17. Predicting Protein Folding Kinetics via Temporal Logic Model Checking: Extended

    E-Print Network [OSTI]

    Langmead, Christopher James

    Predicting Protein Folding Kinetics via Temporal Logic Model Checking: Extended Abstract Abstract. We present a novel approach for predicting protein folding kinetics using techniques from checking. We tested our method on 19 test proteins. The quantitative predictions regarding folding rates

  18. 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...

  19. “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 ...

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

    E-Print Network [OSTI]

    Lee, Won Jae

    2007-04-25

    A fundamental kinetic model based upon the Hougen-Watson formalism was derived as a basis not only for a better understanding of the reaction behavior but also for the design and simulation of industrial reactors. Kinetic ...

  1. Reflected kinetics model for nuclear space reactor kinetics and control scoping calculations

    SciTech Connect (OSTI)

    Washington, K.E.

    1986-05-01

    The objective of this research is to develop a model that offers an alternative to the point kinetics (PK) modelling approach in the analysis of space reactor kinetics and control studies. Modelling effort will focus on the explicit treatment of control drums as reactivity input devices so that the transition to automatic control can be smoothly done. The proposed model is developed for the specific integration of automatic control and the solution of the servo mechanism problem. The integration of the kinetics model with an automatic controller will provide a useful tool for performing space reactor scoping studies for different designs and configurations. Such a tool should prove to be invaluable in the design phase of a space nuclear system from the point of view of kinetics and control limitations.

  2. Hydro-kinetic approach to relativistic heavy ion collisions

    E-Print Network [OSTI]

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

    2008-08-28

    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.

  3. Kinetic neoclassical transport in the H-mode pedestal

    SciTech Connect (OSTI)

    Battaglia, D. J.; Chang, C. S.; Ku, S.; Grierson, B. A.; Burrell, K. H.; Grassie, J. S. de

    2014-07-15

    Multi-species kinetic neoclassical transport through the QH-mode pedestal and scrape-off layer on DIII-D is calculated using XGC0, a 5D full-f particle-in-cell drift-kinetic solver with self-consistent neutral recycling and sheath potentials. Quantitative agreement between the flux-driven simulation and the experimental electron density, impurity density, and orthogonal measurements of impurity temperature and flow profiles is achieved by adding random-walk particle diffusion to the guiding-center drift motion. The radial electric field (E{sub r}) that maintains ambipolar transport across flux surfaces and to the wall is computed self-consistently on closed and open magnetic field lines and is in excellent agreement with experiment. The E{sub r} inside the separatrix is the unique solution that balances the outward flux of thermal tail deuterium ions against the outward neoclassical electron flux and inward pinch of impurity and colder deuterium ions. Particle transport in the pedestal is primarily due to anomalous transport, while the ion heat and momentum transport are primarily due to the neoclassical transport. The full-f treatment quantifies the non-Maxwellian energy distributions that describe a number of experimental observations in low-collisionallity pedestals on DIII-D, including intrinsic co-I{sub p} parallel flows in the pedestal, ion temperature anisotropy, and large impurity temperatures in the scrape-off layer.

  4. Chemical Kinetics in Support of Syngas Turbine Combustion

    SciTech Connect (OSTI)

    Dryer, Frederick

    2007-07-31

    This document is the final report on an overall program formulated to extend our prior work in developing and validating kinetic models for the CO/hydrogen/oxygen reaction by carefully analyzing the individual and interactive behavior of specific elementary and subsets of elementary reactions at conditions of interest to syngas combustion in gas turbines. A summary of the tasks performed under this work are: 1. Determine experimentally the third body efficiencies in H+O{sub 2}+M = HO{sub 2}+M (R1) for CO{sub 2} and H{sub 2}O. 2. Using published literature data and the results in this program, further develop the present H{sub 2}/O{sub 2}/diluent and CO/H{sub 2}/O{sub 2}/diluent mechanisms for dilution with CO{sub 2}, H{sub 2}O and N{sub 2} through comparisons with new experimental validation targets for H{sub 2}-CO-O{sub 2}-N{sub 2} reaction kinetics in the presence of significant diluent fractions of CO{sub 2} and/or H{sub 2}O, at high pressures. (task amplified to especially address ignition delay issues, see below). 3. Analyze and demonstrate issues related to NOx interactions with syngas combustion chemistry (task amplified to include interactions of iron pentacarbonyl with syngas combustion chemistry, see below). 4. Publish results, including updated syngas kinetic model. Results are summarized in this document and its appendices. Three archival papers which contain a majority of the research results have appeared. Those results not published elsewhere are highlighted here, and will appear as part of future publications. Portions of the work appearing in the above publications were also supported in part by the Department of Energy under Grant No. DE-FG02-86ER-13503. As a result of and during the research under the present contract, we became aware of other reported results that revealed substantial differences between experimental characterizations of ignition delays for syngas mixtures and ignition delay predictions based upon homogenous kinetic modeling. We adjusted emphasis of Task 2 to understand the source of these noted disparities because of their key importance to developing lean premixed combustion technologies of syngas turbine applications. In performing Task 3, we also suggest for the first time the very significant effect that metal carbonyls may have on syngas combustion properties. This work is fully detailed. The work on metal carbonyl effects is entirely computational in nature. Pursuit of experimental verification of these interactions was beyond the scope of the present work.

  5. Chemical Kinetics Research on HCCI and Diesel Fuels

    Broader source: Energy.gov [DOE]

    Discusses detailed chemical kinetics mechanisms for complex hydrocarbon fuels and computationally efficiecnt, accurate methodologies for modeling advanced combustion strategies.

  6. Search results | Department of Energy

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

    Search Showing 1 - 10 of 11 results. Video Energy 101: Hydroelectric Power Learn how hydropower captures the kinetic energy of flowing water and turns it into electricity for our...

  7. Search results | Department of Energy

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

    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 turns it...

  8. 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

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

    E-Print Network [OSTI]

    Watkins, Joseph C.

    Worldwide 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 Michaelis-Menten Kinetics Lineweaver-Burke double reciprocal plot 2 / 13 #12;Worldwide Oil Production

  10. 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)

    2013-07-15

    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.

  11. 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)

    2015-05-01

    “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.

  12. 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

    2015-05-19

    “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

  13. 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

  14. On the kinetic foundations of Kaluza's magnetohydrodynamics

    E-Print Network [OSTI]

    A. Sandoval-Villalbazo; A. R. Sagaceta-Mejia; A. L. Garcia-Perciante

    2015-02-20

    Recent work has shown the existence of a relativistic effect present in a single component non-equilibrium fluid, corresponding to a heat flux due to an electric field. The treatment in that work was limited to a four-dimensional Minkowksi space-time in which the Boltzmann equation was treated in a special relativistic approach. The more complete framework of general relativity can be introduced to kinetic theory in order to describe transport processes associated to electromagnetic fields. In this context the original Kaluza's formalism is a promising approach. The present work contains a kinetic theory basis for Kaluza's magnetohydrodynamics and gives a novel description for the establishment of thermodynamic forces beyond the special relativistic description.

  15. On the kinetic foundations of Kaluza's magnetohydrodynamics

    E-Print Network [OSTI]

    Sandoval-Villalbazo, A; Garcia-Perciante, A L

    2015-01-01

    Recent work has shown the existence of a relativistic effect present in a single component non-equilibrium fluid, corresponding to a heat flux due to an electric field. The treatment in that work was limited to a four-dimensional Minkowksy space-time in which the Boltzmann equation was treated in a special relativistic approach. The more complete framework of general relativity can be introduced to kinetic theory in order to describe transport processes associated to electromagnetic fields. In this context the original Kaluza's formalism is a promising approach. The present work contains a kinetic theory basis for Kaluza's magnetohydrodynamics and gives a novel description for the establishment of thermodynamic forces beyond the special relativistic description.

  16. Ion mediated crosslink driven mucous swelling kinetics

    E-Print Network [OSTI]

    Sircar, S

    2015-01-01

    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...

  17. Gravitational energy

    E-Print Network [OSTI]

    Joseph Katz

    2005-10-20

    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.

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

    E-Print Network [OSTI]

    Aiguo Xu; Chuandong Lin; Guangcai Zhang; Yingjun Li

    2015-03-13

    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.

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

    SciTech Connect (OSTI)

    Gary Blythe; John Currie; David DeBerry

    2008-03-31

    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. Evaluation of a hybrid kinetics/mixing-controlled combustion model for turbulent premixed and diffusion combustion using KIVA-2

    SciTech Connect (OSTI)

    Nguyen, H.L.; Wey, Mingjyh.

    1990-01-01

    Two dimensional calculations were made of spark ignited premixed-charge combustion and direct injection stratified-charge combustion in gasoline fueled piston engines. Results are obtained using kinetic-controlled combustion submodel governed by a four-step global chemical reaction or a hybrid laminar kinetics/mixing-controlled combustion submodel that accounts for laminar kinetics and turbulent mixing effects. The numerical solutions are obtained by using KIVA-2 computer code which uses a kinetic-controlled combustion submodel governed by a four-step global chemical reaction (i.e., it assumes that the mixing time is smaller than the chemistry). A hybrid laminar/mixing-controlled combustion submodel was implemented into KIVA-2. In this model, chemical species approach their thermodynamics equilibrium with a rate that is a combination of the turbulent-mixing time and the chemical-kinetics time. The combination is formed in such a way that the longer of the two times has more influence on the conversion rate and the energy release. An additional element of the model is that the laminar-flame kinetics strongly influence the early flame development following ignition.

  1. Nitrogen effects on crystallization kinetics of amorphous TiOxNy thin films

    SciTech Connect (OSTI)

    Hukari, Kyle; Dannenberg, Rand; Stach, E.A.

    2001-03-30

    The crystallization behavior of amorphous TiOxNy (x>>y) thin films was investigated by in-situ transmission electron microscopy. The Johnson-Mehl-Avrami-Kozolog (JMAK) theory is used to determine the Avrami exponent, activation energy, and the phase velocity pre-exponent. Addition of nitrogen inhibits diffusion, increasing the nucleation temperature, while decreasing the growth activation energy. Kinetic variables extracted from individual crystallites are compared to JMAK analysis of the fraction transformed and a change of 6 percent in the activation energy gives agreement between the methods. From diffraction patterns and index of refraction the crystallized phase was found to be predominantly anatase.

  2. 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

    2012-05-30

    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.

  3. 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

    2015-02-18

    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.

  4. Thermodynamic and kinetic behaviors of trinitrotoluene adsorption on powdered activated carbons

    SciTech Connect (OSTI)

    Lee, J.W.; Hwang, K.J.; Shim, W.G.; Moon, I.S. [Sunchon National University, Sunchon (Republic of Korea). Dept. of Chemical Engineering

    2006-07-01

    Regulations on the removal of trinitrotoluene (TNT) from wastewater have become increasingly more stringent, demanding faster, less expensive, and more efficient treatment. This study focuses on the adsorption equilibrium and kinetics of TNT on powered activated carbons (PAC). Three types of PACs (i.e., wood based, coal based, and coconut-shell based) were studied as functions of temperature and pH. Thermodynamic properties including Gibbs free energy, enthalpy, and entropy, were evaluated by applying the Van't Hoff equation. In addition, the adsorption energy distribution functions which describe heterogeneous characteristics of porous solid sorbents were calculated by using the generalized nonlinear regularization method. Adsorption kinetic studies were carried out in batch adsorber under important conditions such as PAC types, temperature, pH, and concentration. We found that fast and efficient removal of TNT dissolved in water can be successfully achieved by PAC adsorption.

  5. Pedestal Fueling Simulations with a Coupled Kinetic-kinetic Plasma-neutral Transport Code

    SciTech Connect (OSTI)

    D.P. Stotler, C.S. Chang, S.H. Ku, J. Lang and G.Y. Park

    2012-08-29

    A Monte Carlo neutral transport routine, based on DEGAS2, has been coupled to the guiding center ion-electron-neutral neoclassical PIC code XGC0 to provide a realistic treatment of neutral atoms and molecules in the tokamak edge plasma. The DEGAS2 routine allows detailed atomic physics and plasma-material interaction processes to be incorporated into these simulations. The spatial pro le of the neutral particle source used in the DEGAS2 routine is determined from the uxes of XGC0 ions to the material surfaces. The kinetic-kinetic plasma-neutral transport capability is demonstrated with example pedestal fueling simulations.

  6. 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.

    1985-03-26

    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.

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

    E-Print Network [OSTI]

    Luca Ciandrini; M. Carmen Romano; A. Parmeggiani

    2014-05-26

    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.

  8. 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)

    2014-09-01

    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.

  9. 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: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration would like submit theCovalent BondingMeetingDifferences BetweenDiracDirectDirectDirect Kinetic

  10. Studies of combustion kinetics and mechanisms

    SciTech Connect (OSTI)

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

    1993-12-01

    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.

  11. Energy and Its Conservation Work: not always what you think

    E-Print Network [OSTI]

    Glashausser, Charles

    CHAPTER 6 Energy and Its Conservation Work: not always what you think Energy of motion: kinetic energy Energy of position: potential energy Gravitational potential energy The reference level Mechanical energy and its conservation Electric potential energy Springs: elastic potential energy Hooke's law

  12. 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

  13. TpPt(IV)Me(H)2 Forms a -CH4 Complex That Is Kinetically Resistant to Methane Liberation

    E-Print Network [OSTI]

    Keinan, Ehud

    TpPt(IV)Me(H)2 Forms a -CH4 Complex That Is Kinetically Resistant to Methane Liberation H demonstra- tion that methane can be catalytically activated by an organometallic complex of Pt(II).2 report that although 1 has a very high energy barrier for the liberation of methane, it readily forms

  14. Chemical Dynamics, Molecular Energetics, and Kinetics at the Synchrotron

    E-Print Network [OSTI]

    Leone, Stephen R.

    2010-01-01

    novel measurements of chemical dynamics for clusters, Chemical Dynamics, Molecular Energetics, and Kinetics at theUniversity of California Chemical Sciences Division,

  15. Microscale Electrode Design Using Coupled Kinetic, Thermal and...

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

    -- Washington D.C. es17sastry.pdf More Documents & Publications Modeling-Thermo-electrochemistry, Capacity Degradation and Mechanics with SEI Layer Coupled Kinetic, Thermal, and...

  16. Evaluation of Thermal Evolution Profiles and Estimation of Kinetic...

    Office of Scientific and Technical Information (OSTI)

    Evaluation of Thermal Evolution Profiles and Estimation of Kinetic Parameters for Pyrolysis of CoalCorn Stover Blends Using Thermogravimetric Analysis Citation Details...

  17. Pressure Dependent Decomposition Kinetics of the Energetic Material...

    Office of Scientific and Technical Information (OSTI)

    Org: USDOE Country of Publication: United States Language: English Subject: 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ACCELERATION; DIAMONDS; KINETICS; PYROLYSIS...

  18. Ultrafast kinetics subsequent to shock in an unreacted, oxygen...

    Office of Scientific and Technical Information (OSTI)

    subsequent to shock in an unreacted, oxygen balanced mixture of nitromethane and hydrogen peroxide Citation Details In-Document Search Title: Ultrafast kinetics subsequent to...

  19. Microscale Electrode Design Using Coupled Kinetic, Thermal and...

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

    geothermal systems (EGS) | geothermal 2015 peer review Coupled Kinetic, Thermal, and Mechanical Modeling of FIB Micro-machined Electrodes 2015 GTO Peer Review | Poster Session...

  20. Uranium and Strontium Batch Sorption and Diffusion Kinetics into...

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

    Uranium and Strontium Batch Sorption and Diffusion Kinetics into Mesoporous Silica Friday, February 27, 2015 Figure 1 Figure 1. Transmission electron microscopy images of (A)...

  1. 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 2011 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies Program...

  2. Astrophysical Gyrokinetics: Kinetic and Fluid Turbulent Cascades In Magentized Weakly Collisional Plasmas

    SciTech Connect (OSTI)

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

    2009-04-23

    This paper presents a theoretical framework for understanding plasma turbulence in astrophysical plasmas. It is motivated by observations of electromagnetic and density fluctuations in the solar wind, interstellar medium and galaxy clusters, as well as by models of particle heating in accretion disks. All of these plasmas and many others have turbulentmotions at weakly collisional and collisionless scales. The paper focuses on turbulence in a strong mean magnetic field. The key assumptions are that the turbulent fluctuations are small compared to the mean field, spatially anisotropic with respect to it and that their frequency is low compared to the ion cyclotron frequency. The turbulence is assumed to be forced at some system-specific outer scale. The energy injected at this scale has to be dissipated into heat, which ultimately cannot be accomplished without collisions. A kinetic cascade develops that brings the energy to collisional scales both in space and velocity. The nature of the kinetic cascade in various scale ranges depends on the physics of plasma fluctuations that exist there. There are four special scales that separate physically distinct regimes: the electron and ion gyroscales, the mean free path and the electron diffusion scale. In each of the scale ranges separated by these scales, the fully kinetic problem is systematically reduced to a more physically transparent and computationally tractable system of equations, which are derived in a rigorous way. In the "inertial range" above the ion gyroscale, the kinetic cascade separates into two parts: a cascade of Alfvenic fluctuations and a passive cascade of density and magnetic-fieldstrength fluctuations. The former are governed by the Reduced Magnetohydrodynamic (RMHD) equations at both the collisional and collisionless scales; the latter obey a linear kinetic equation along the (moving) field lines associated with the Alfvenic component (in the collisional limit, these compressive fluctuations become the slow and entropy modes of the conventional MHD). In the "dissipation range" below ion gyroscale, there are again two cascades: the kinetic-Alfven-wave (KAW) cascade governed by two fluid-like Electron Reduced Magnetohydrodynamic (ERMHD) equations and a passive cascade of ion entropy fluctuations both in space and velocity. The latter cascade brings the energy of the inertial-range fluctuations that was Landau-damped at the ion gyroscale to collisional scales in the phase space and leads to ion heating. The KAWenergy is similarly damped at the electron gyroscale and converted into electron heat. Kolmogorov-style scaling relations are derived for all of these cascades. The relationship between the theoretical models proposed in this paper and astrophysical applications and observations is discussed in detail.

  3. Ion mediated crosslink driven mucous swelling kinetics

    E-Print Network [OSTI]

    S. Sircar; A. J. Roberts

    2015-01-20

    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.

  4. PBXN-9 Ignition Kinetics and Deflagration Rates

    SciTech Connect (OSTI)

    Glascoe, E; Maienschein, J; Burnham, A; Koerner, J; Hsu, P; Wemhoff, A

    2008-04-24

    The ignition kinetics and deflagration rates of PBXN-9 were measured using specially designed instruments at LLNL and compared with previous work on similar HMX based materials. Ignition kinetics were measured based on the One Dimensional Time-to-Explosion combined with ALE3D modeling. Results of these experiments indicate that PBXN-9 behaves much like other HMX based materials (i.e. LX-04, LX-07, LX-10 and PBX-9501) and the dominant factor in these experiments is the type of explosive, not the type of binder/plasticizer. In contrast, the deflagration behavior of PBXN-9 is quite different from similar high weight percent HMX based materials (i.e LX-10, LX-07 and PBX-9501). PBXN-9 burns in a laminar manner over the full pressure range studied (0-310 MPa) unlike LX-10, LX-07, and PBX-9501. The difference in deflagration behavior is attributed to the nature of the binder/plasticizer alone or in conjunction with the volume of binder present in PBXN-9.

  5. Oxidation kinetics of calcium-doped palladium powders

    SciTech Connect (OSTI)

    Jain, S.; Kodas, T.T.; Hampden-Smith, M. [Univ. of New Mexico, Albuquerque, NM (United States)

    1997-04-01

    The oxidation kinetics of submicron Ca-containing Pd powders produced by spray pyrolysis were studied in the temperature range 600 to 675 C using thermogravimetric analysis. The oxidation of pure Pd powder had an activation energy of {approximately}230 kJ/mol in the region 27% < oxidation < 70% and 65 kJ/mol for oxidation > 70%. The activation energies for Pd particles containing 0.01 weight percent (w/o) and 0.4 w/o Ca in the region 27% < oxidation < 70% were {approximately}230 kJ/mol and {approximately}50 kJ/mol, respectively. Transmission electron microscopy suggested that the conversion of Pd to Pd{sup II}O (stoichiometric PdO) proceeds from the particle surface into the interior and not homogeneously throughout the particle. The predictions of a variety of models and rate laws (shrinking core, parabolic, cubic, logarithmic, and inverse logarithmic) were compared with the data. The comparison suggested a mechanism in which oxidation of pure Pd proceeds by chemisorption and diffusion of oxygen to form a substoichiometric oxide, followed by the conversion of substoichiometric PdO to Pd{sup II}O. Oxidation of pure Pd is then probably limited by the diffusion of oxygen through the substoichiometric PdO and/or Pd{sup II}O. The addition of Ca increased the oxidation resistance of Pd most likely by inhibiting oxygen diffusion through the metal oxide layers surrounding the Pd.

  6. Weakly Ionized Plasmas in Hypersonics: Fundamental Kinetics and Flight Applications

    SciTech Connect (OSTI)

    Macheret, Sergey

    2005-05-16

    The paper reviews some of the recent studies of applications of weakly ionized plasmas to supersonic/hypersonic flight. Plasmas can be used simply as means of delivering energy (heating) to the flow, and also for electromagnetic flow control and magnetohydrodynamic (MHD) power generation. Plasma and MHD control can be especially effective in transient off-design flight regimes. In cold air flow, nonequilibrium plasmas must be created, and the ionization power budget determines design, performance envelope, and the very practicality of plasma/MHD devices. The minimum power budget is provided by electron beams and repetitive high-voltage nanosecond pulses, and the paper describes theoretical and computational modeling of plasmas created by the beams and repetitive pulses. The models include coupled equations for non-local and unsteady electron energy distribution function (modeled in forward-back approximation), plasma kinetics, and electric field. Recent experimental studies at Princeton University have successfully demonstrated stable diffuse plasmas sustained by repetitive nanosecond pulses in supersonic air flow, and for the first time have demonstrated the existence of MHD effects in such plasmas. Cold-air hypersonic MHD devices are shown to permit optimization of scramjet inlets at Mach numbers higher than the design value, while operating in self-powered regime. Plasma energy addition upstream of the inlet throat can increase the thrust by capturing more air (Virtual Cowl), or it can reduce the flow Mach number and thus eliminate the need for an isolator duct. In the latter two cases, the power that needs to be supplied to the plasma would be generated by an MHD generator downstream of the combustor, thus forming the 'reverse energy bypass' scheme. MHD power generation on board reentry vehicles is also discussed.

  7. Supporting Information The free energy landscape of small molecule

    E-Print Network [OSTI]

    Caflisch, Amedeo

    Supporting Information The free energy landscape of small molecule unbinding Danzhi Huang author keywords: FKBP; molecular dynamics; free energy surface; transition state; single exponential kinetics; complex network; Hammond behavior September 24, 2010 #12;Huang and Caflisch, The free energy

  8. Questions & Solutions On Particle Physics Q1. A photon with an energy GeVE 09.2=

    E-Print Network [OSTI]

    Adler, Joan

    Questions & Solutions On Particle Physics Q1. A photon with an energy GeVE 09.2= creates a proton-antiproton pair in which the proton has a kinetic energy of MeV0.95 . What is the kinetic energy of the antiproton particles will have similar kinetic energies . The total energy of each particle is the sum of its rest

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

    E-Print Network [OSTI]

    Xu, T.

    2014-01-01

    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

  10. Chemomechanical mapping of ligandreceptor binding kinetics on cells

    E-Print Network [OSTI]

    Van Vliet, Krystyn J.

    Chemomechanical mapping of ligand­receptor binding kinetics on cells Sunyoung Lee, Jelena Mandic, Providence, RI, April 23, 2007 (received for review January 2, 2007) The binding kinetics between cell activity. Modeling and prediction of receptor-mediated cell func- tions are facilitated by measurement

  11. Microdroplet fusion mass spectrometry for fast reaction kinetics

    E-Print Network [OSTI]

    Zare, Richard N.

    Microdroplet fusion mass spectrometry for fast reaction kinetics Jae Kyoo Leea,b , Samuel Kima,b,1 investigated the fusion of high-speed liquid droplets as a way to record the kinetics of liquid-phase chemical between the mass spec- trometer inlet and the droplet fusion center. Fused droplet trajec- tories were

  12. Radon transform and kinetic equations in tomographic representation

    E-Print Network [OSTI]

    V. N. Chernega; V. I. Man'ko; B. I. Sadovnikov

    2009-11-01

    Statistical properties of classical random process are considered in tomographic representation. The Radon integral transform is used to construct the tomographic form of kinetic equations. Relation of probability density on phase space for classical systems with tomographic probability distributions is elucidated. Examples of simple kinetic equations like Liouville equations for one and many particles are studied in detail.

  13. Kinetic Theory for Metallic Clusters II. Klimontovich Equation Approach

    E-Print Network [OSTI]

    Bonitz, Michael

    is then applied to write a formal kinetic theory for electrons in a strong electromagnetic field. SinceKinetic Theory for Metallic Clusters II. Klimontovich Equation Approach James W Dufty Department on the microscopic phase space density as the fundamental variable in terms of which all other properties

  14. A kinetic model for anisotropic reactions in amorphous solids

    E-Print Network [OSTI]

    Hong, Wei

    , and does not need to introduce kinetic-dependent plasticity or modify basic thermodynamic quantities models either attribute such deformation to the plastic flow driven by the stress exceeding a non1 A kinetic model for anisotropic reactions in amorphous solids Wei Hong* Department of Aerospace

  15. Hydraulic design of leaves: insights from rehydration kinetics

    E-Print Network [OSTI]

    Holbrook, N. Michele

    Hydraulic design of leaves: insights from rehydration kinetics MACIEJ A. ZWIENIECKI1 , TIMOTHY J design in 10 species based on their rehydration kinetics. In all cases, a biphasic response described extension; tran- spiration stream; hydraulic compartmentalization. INTRODUCTION Leaves of terrestrial plants

  16. 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(III) oxidation. Accordingly, the effects of adsorbed and nonadsorbed Zn on arsenite (As(III)) oxidation kinetics Arsenic often occurs in aquatic/terrestrial environments because of anthropogenic inputs (e.g., use

  17. 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

    2015-01-01

    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.

  18. 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)

    2014-10-27

    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.

  19. A Chemical Kinetic Model of Transcriptional Elongation

    E-Print Network [OSTI]

    Yujiro Richard Yamada; Charles S. Peskin

    2006-05-23

    A chemical kinetic model of the elongation dynamics of RNA polymerase along a DNA sequence is introduced. The proposed model governs the discrete movement of the RNA polymerase along a DNA template, with no consideration given to elastic effects. The model's novel concept is a ``look-ahead'' feature, in which nucleotides bind reversibly to the DNA prior to being incorporated covalently into the nascent RNA chain. Results are presented for specific DNA sequences that have been used in single-molecule experiments of the random walk of RNA polymerase along DNA. By replicating the data analysis algorithm from the experimental procedure, the model produces velocity histograms, enabling direct comparison with these published results.

  20. Detailed Kinetic Modeling of Gasoline Surrogate Mixtures

    SciTech Connect (OSTI)

    Mehl, M; Curran, H J; Pitz, W J; Westbrook, C K

    2009-03-09

    Real fuels are complex mixtures of thousands of hydrocarbon compounds including linear and branched paraffins, naphthenes, olefins and aromatics. It is generally agreed that their behavior can be effectively reproduced by simpler fuel surrogates containing a limited number of components. In this work, a recently revised version of the kinetic model by the authors is used to analyze the combustion behavior of several components relevant to gasoline surrogate formulation. Particular attention is devoted to linear and branched saturated hydrocarbons (PRF mixtures), olefins (1-hexene) and aromatics (toluene). Model predictions for pure components, binary mixtures and multi-component gasoline surrogates are compared with recent experimental information collected in rapid compression machine, shock tube and jet stirred reactors covering a wide range of conditions pertinent to internal combustion engines. Simulation results are discussed focusing attention on the mixing effects of the fuel components.

  1. Spectroscopy, Kinetics, and Dynamics of Combustion Radicals

    SciTech Connect (OSTI)

    Nesbitt, David J.

    2013-08-06

    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.

  2. Brittle failure kinetics model for concrete

    SciTech Connect (OSTI)

    Silling, S.A.

    1997-03-01

    A new constitutive model is proposed for the modeling of penetration and large stress waves in concrete. Rate effects are incorporated explicitly into the damage evolution law, hence the term brittle failure kinetics. The damage variable parameterizes a family of Mohr-Coulomb strength curves. The model, which has been implemented in the CTH code, has been shown to reproduce some distinctive phenomena that occur in penetration of concrete targets. Among these are the sharp spike in deceleration of a rigid penetrator immediately after impact. Another is the size scale effect, which leads to a nonlinear scaling of penetration depth with penetrator size. This paper discusses the theory of the model and some results of an extensive validation effort.

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

    SciTech Connect (OSTI)

    Everett, Susan M; Rawn, Claudia J; Keffer, David J.; Mull, Derek L; Payzant, E Andrew; Phelps, Tommy Joe

    2013-01-01

    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.

  4. Plasma turbulence and kinetic instabilities at ion scales in the expanding solar wind

    E-Print Network [OSTI]

    Hellinger, Petr; Landi, Simone; Verdini, Andrea; Franci, Luca; Travnicek, Pavel M

    2015-01-01

    The relationship between a decaying strong turbulence and kinetic instabilities in a slowly expanding plasma is investigated using two-dimensional (2-D) hybrid expanding box simulations. We impose an initial ambient magnetic field perpendicular to the simulation box, and we start with a spectrum of large-scale, linearly-polarized, random-phase Alfv\\'enic fluctuations which have energy equipartition between kinetic and magnetic fluctuations and vanishing correlation between the two fields. A turbulent cascade rapidly develops, magnetic field fluctuations exhibit a Kolmogorov-like power-law spectrum at large scales and a steeper spectrum at ion scales. The turbulent cascade leads to an overall anisotropic proton heating, protons are heated in the perpendicular direction, and, initially, also in the parallel direction. The imposed expansion leads to generation of a large parallel proton temperature anisotropy which is at later stages partly reduced by turbulence. The turbulent heating is not sufficient to overco...

  5. Catalytic liquid-phase hydrogenation of aqueous nitrate solutions: A kinetic investigation

    SciTech Connect (OSTI)

    Pintar, A.; Batista, J.; Levec, J. [National Inst. of Chemistry, Ljubljana (Slovenia); Kajiuchi, Toshio [Tokyo Inst. of Technology, Yokohama (Japan)

    1996-12-31

    Liquid-phase reduction using a solid Pd/Cu bimetallic catalyst provides a potential technique for the removal of nitrates from waters. Kinetic measurements were performed in an isothermal semi-batch slurry reactor operating at atmospheric pressure. The proposed intrinsic rate expression for nitrate disappearance is based on the conventional Langmuir-Hinshelwood kinetic approach, considering both equilibrium nitrate as well as dissociative hydrogen adsorption processes to different types of active sites, and assuming an irreversible bimolecular surface reaction between adsorbed reactant species to be the rate-controlling step. The apparent activation energy for catalytic liquid-phase nitrate reduction and the heat of nitrate adsorption, in the temperature range 280.5-293 K, were found to be 47 and -22 kJ/mol, respectively. 6 refs., 3 figs.

  6. A Kinetic Theory Approach to Quantum Gravity

    E-Print Network [OSTI]

    B. L. Hu

    2002-04-22

    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).

  7. Kinetic relaxation models for energy transport , Peter MARKOWICH

    E-Print Network [OSTI]

    Markowich, Peter A.

    Tel: +81-75-753-5802 Fax: +81-75-753-4942 e-mail: takata@aero.mbox.media.kyoto-u.ac.jp Department, Graduate School of Engineering, Kyoto Univer- sity, Kyoto 606-8501, Japan (aoki@aero and Engineering, Graduate School of Engineering, Kyoto Univer- sity, Kyoto 606-8501, Japan (takata@aero

  8. 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: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach Home Room NewsInformation Current HABFES OctoberEvan Racah Evan-5 BeamlineGE,ExtracellularMolecule Force

  9. 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 Data Center Home Page on Delicious Rank EERE:FinancingPetroleum Based Fuels|Programs |Chart of breakout of funds by major FSCCheckout,Fuels

  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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIXsource HistoryScenarios Towards 2050Enermar < MHKHydro Helix <<Kensington

  11. 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 on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIXsource HistoryScenariosMarysville MtMedical AreaInformationMickey Hot

  12. 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

  13. A Bound on Binding Energies and Mass Renormalization in Models of Quantum

    E-Print Network [OSTI]

    A Bound on Binding Energies and Mass Renormalization in Models of Quantum Electrodynamics Elliott H: the #12;rst uses the kinetic energy (p + eA(x)) 2 and the second uses the Pauli-Fierz energy (p + eA(x)) 2 + e#27; #1; B(x). The third, no-pair model, is relativistic and replaces the kinetic energy

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

    E-Print Network [OSTI]

    California at Santa Cruz, University of

    Physics 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, Vibrations and Waves (W.W. Norton and Company, New York, 1971). First, we compute the kinetic energy

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

    E-Print Network [OSTI]

    Carter, Jesse James

    2006-08-16

    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...

  16. Pattern Formation and Growth Kinetics in Eutectic Systems

    SciTech Connect (OSTI)

    Jing Teng

    2007-12-01

    Growth patterns during liquid/solid phase transformation are governed by simultaneous effects of heat and mass transfer mechanisms, creation of new interfaces, jump of the crystallization units from liquid to solid and their rearrangement in the solid matrix. To examine how the above processes influence the scale of microstructure, two eutectic systems are chosen for the study: a polymeric system polyethylene glycol-p-dibromobenzene (PEG-DBBZ) and a simple molecular system succinonitrile (SCN)-camphor. The scaling law for SCN-camphor system is found to follow the classical Jackson-Hunt model of circular rod eutectic, where the diffusion in the liquid and the interface energy are the main physics governing the two-phase pattern. In contrast, a significantly different scaling law is observed for the polymer system. The interface kinetics of PEG phase and its solute concentration dependence thus have been critically investigated for the first time by directional solidification technique. A model is then proposed that shows that the two-phase pattern in polymers is governed by the interface diffusion and the interface kinetics. In SCN-camphor system, a new branch of eutectic, elliptical shape rodl, is found in thin samples where only one layer of camphor rods is present. It is found that the orientation of the ellipse can change from the major axis in the direction of the thickness to the direction of the width as the velocity and/or the sample thickness is decreased. A theoretical model is developed that predicts the spacing and orientation of the elliptical rods in a thin sample. The single phase growth patterns of SCN-camphor system were also examined with emphasis on the three-dimensional single cell and cell/dendrite transition. For the 3D single cell in a capillary tube, the entire cell shape ahead of the eutectic front can be described by the Saffmann-Taylor finger only at extremely low growth rate. A 3D directional solidification model is developed to characterize the cell shape and tip undercooling and the experimental results are compared with the predictions of the model. From the investigation of cell/dendrite transition, a model is proposed, from which the condition for the onset of the transition can be obtained.

  17. 2D Axisymmetric Coupled CFD-kinetics Modeling of a Nonthermal Arc Plasma Torch for Diesel Fuel

    E-Print Network [OSTI]

    Boyer, Edmond

    -4 , autothermal reforming of biogas5 or hexadecane6 with very simple kinetic mechanism. CFD-kinetics models have

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

    SciTech Connect (OSTI)

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

    1993-12-01

    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.

  19. Diffusion barriers in the kinetics of water vapor adsorption/desorption on activated carbons

    SciTech Connect (OSTI)

    Harding, A.W.; Foley, N.J.; Thomas, K.M. [Univ. of Newcastle upon Tyne (United Kingdom)] [Univ. of Newcastle upon Tyne (United Kingdom); Norman, P.R.; Francis, D.C. [CBD, Salisbury (United Kingdom)] [CBD, Salisbury (United Kingdom)

    1998-07-07

    The adsorption of water vapor on a highly microporous coconut-shell-derived carbon and a mesoporous wood-derived carbon was studied. These carbons were chosen as they had markedly different porous structures. The adsorption and desorption characteristics of water vapor on the activated carbons were investigated over the relative pressure range p/p{degree} = 0--0.9 for temperatures in the range 285--313 K in a static water vapor system. The adsorption isotherms were analyzed using the Dubinin-Serpinski equation, and this provided an assessment of the polarity of the carbons. The kinetics of water vapor adsorption and desorption were studied with different amounts of preadsorbed water for set changes in pressure relative to the saturated vapor pressure (p/p{degree}). The adsorption kinetics for each relative pressure step were compared and used to calculate the activation energies for the vapor pressure increments. The kinetic results are discussed in relation to their relative position on the equilibrium isotherm and the adsorption mechanism of water vapor on activated carbons.

  20. Determination of total mechanical energy of the universe within the framework of Newtonian mechanics

    E-Print Network [OSTI]

    Dimitar Valev

    2010-02-23

    The recent astronomical observations indicate that the expanding universe having a finite particle horizon is homogeneous, isotropic and asymptotically flat. The Euclidean geometry of the universe enables to determine the total kinetic and gravitational energies of the universe within the framework of the Newtonian mechanics. It has been shown that almost the entire kinetic energy of the universe ensues from the cosmological expansion. Both, the total kinetic and gravitational energies of the universe have been determined in relation to an observer at arbitrary location. It is amazing that the modulus of the total gravitational energy differs from the total kinetic energy with a multiplier close to a unit. Thus, the total mechanical energy of the universe has been found close to zero. Both, the total kinetic energy and the modulus of total gravitational energy of the universe are estimated to 3/10 of its total rest energy M*c^2.

  1. Binding Energies in Nonrelativistic Field Theories

    E-Print Network [OSTI]

    Andreas S. Kronfeld

    1996-08-26

    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.

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

    SciTech Connect (OSTI)

    Turchi, P; Kaufman, L; Liu, Z

    2006-06-30

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

    Office of Scientific and Technical Information (OSTI)

    multi-rate kinetics of uranium desorption from sediments A multi-rate expression for uranyl U(VI) surface complexation reactions has been proposed to describe diffusion-limited...

  4. Kinetic Monte Carlo simulations of nanocrystalline film deposition

    E-Print Network [OSTI]

    Ruan, Shiyun

    A full diffusion kinetic Monte Carlo algorithm is used to model nanocrystalline film deposition, and study the mechanisms of grain nucleation and microstructure formation in such films. The major finding of this work is ...

  5. Kinetic modeling and automated optimization in microreactor systems

    E-Print Network [OSTI]

    Moore, Jason Stuart

    2013-01-01

    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 ...

  6. Nano Research Kinetics of Molecular Recognition Mediated Nanoparticle

    E-Print Network [OSTI]

    Wikswo, John

    Nano Research Kinetics of Molecular Recognition Mediated Nanoparticle Self-Assembly Chinmay Soman1 using nanoparticle self-assembly mediated by molecular interactions, including polynucleotide Directed self-assembly of nanostructures into microstructures through intermolecular interactions

  7. Structural kinetics of myosin by transient time-resolved FRET

    E-Print Network [OSTI]

    Thomas, David D.

    occurs before ATP is hydrolyzed, and two struc- tural states (relay helix straight and bent) are resolved structural data, determined primarily from static protein crystals, and kinetics, measured dur- ing

  8. Benchmark Reaction Mechanisms and Kinetics for Lean NOx Traps...

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

    Annual Merit Review and Peer Evaluation Meeting, May 18-22, 2009 -- Washington D.C. acep01larson.pdf More Documents & Publications Development of Chemical Kinetic Models for...

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

    E-Print Network [OSTI]

    Suh, Inseon

    2000-01-01

    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...

  10. Elucidating Hydrogen Oxidation/Evolution Kinetics in Base and...

    Office of Scientific and Technical Information (OSTI)

    Elucidating Hydrogen OxidationEvolution Kinetics in Base and Acid by Enhanced Activities at the Optimized Pt Shell Thickness on the Ru Core Citation Details In-Document Search...

  11. Cellular Senescence: Ex Vivo p53-Dependent Asymmetric Cell Kinetics

    E-Print Network [OSTI]

    Rambhatla, Lakshmi

    2001-01-01

    Although senescence is a defining property of euploid mammalian cells, its physiologic basis remains obscure. Previously, cell kinetics properties of normal tissue cells have not been considered in models for senescence. ...

  12. Mechanistic kinetic modeling of the hydrocracking of complex feedstocks 

    E-Print Network [OSTI]

    Kumar, Hans

    2009-05-15

    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...

  13. Active shapes : introducing guidelines for designing kinetic architectural structures

    E-Print Network [OSTI]

    El-Zanfaly, Dina E

    2011-01-01

    This thesis proposes guidelines for designing kinetic architectural structures, in which rules based on shape grammars, are used for motion capturing and design. There is an increasing demand for adaptive architecture that ...

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

    E-Print Network [OSTI]

    Raffle, Hayes Solos, 1974-

    2004-01-01

    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 ...

  15. Thermodynamic and kinetic analyses of the CO2 chemisorption mechanism...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Thermodynamic and kinetic analyses of the CO2 chemisorption mechanism on Na2TiO3: Experimental and theoretical evidences Citation Details In-Document Search Title:...

  16. Dissolution Kinetics of Pyrochlore Ceramics for the Disposition of Plutonium.

    SciTech Connect (OSTI)

    Icenhower, Jonathan P.; Strachan, Denis M.; McGrail, B. Peter; Scheele, Randall D.; Rodriguez, Elsa A.; Steele, Jackie L.; Legore, Virginia L.

    2006-01-30

    This is an article in which the dissolution kinetics of titanate ceramics are reported and discussed. These ceramics are made with non-radioactive elements as analogues to those made with Pu.

  17. Crystallization Kinetics of Thermosensitive Colloids Probed by Transmission Spectroscopy

    E-Print Network [OSTI]

    Wu, Jianzhong

    Crystallization Kinetics of Thermosensitive Colloids Probed by Transmission Spectroscopy Shijun hard spheres, soft spheres, and PNIPAM spheres. Introduction Crystallization of colloidal systems systems.1-15 In recent years, colloidal crystals have been used extensively for the fabrication

  18. 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...

  19. Consistent description of kinetics and hydrodynamics of dusty plasma

    SciTech Connect (OSTI)

    Markiv, B.; Tokarchuk, M.; National University “Lviv Polytechnic,” 12 Bandera St., 79013 Lviv

    2014-02-15

    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.

  20. 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

  1. Precipitation kinetics in ultra-high lime softening 

    E-Print Network [OSTI]

    Peacock, Edward Dale

    1986-01-01

    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. Point kinetics calculations with fully coupled thermal fluids reactivity feedback

    SciTech Connect (OSTI)

    Zhang, H.; Zou, L.; Andrs, D.; Zhao, H.; Martineau, R.

    2013-07-01

    The point kinetics model has been widely used in the analysis of the transient behavior of a nuclear reactor. In the traditional nuclear reactor system safety analysis codes such as RELAP5, the reactivity feedback effects are calculated in a loosely coupled fashion through operator splitting approach. This paper discusses the point kinetics calculations with the fully coupled thermal fluids and fuel temperature feedback implemented into the RELAP-7 code currently being developed with the MOOSE framework. (authors)

  3. Final Report: Mechanisms of sputter ripple formation: coupling among energetic ions, surface kinetics, stress and composition

    SciTech Connect (OSTI)

    Chason, Eric; Shenoy, Vivek

    2013-01-22

    Self-organized pattern formation enables the creation of nanoscale surface structures over large areas based on fundamental physical processes rather than an applied template. Low energy ion bombardment is one such method that induces the spontaneous formation of a wide variety of interesting morphological features (e.g., sputter ripples and/or quantum dots). This program focused on the processes controlling sputter ripple formation and the kinetics controlling the evolution of surfaces and nanostructures in high flux environments. This was done by using systematic, quantitative experiments to measure ripple formation under a variety of processing conditions coupled with modeling to interpret the results.

  4. Kinetics of visible light photo-oxidation of Ge nanocrystals:Theory and in situ measurement

    SciTech Connect (OSTI)

    Sharp, I.D.; Xu, Q.; Yuan, C.W.; Beeman, J.W.; Ager III, J.W.; Chrzan, D.C.; Haller, E.E.

    2006-11-14

    Photo-oxidation of Ge nanocrystals illuminated with visible laser light under ambient conditions was investigated. The photo-oxidation kinetics were monitored by in situ measurement of the crystalline Ge volume fraction by Raman spectroscopy. The effects of laser power and energy on the extent of oxidation were measured using both in situ and ex situ Raman scattering techniques. A mechanistic model in which the tunneling of photo-excited carriers to the oxide surface for electron activated molecular oxygen dissociation is proposed. This quantitative model successfully describes all experimental photo-oxidation observations using physical parameters.

  5. A continuum theory of phase separation kinetics for active Brownian particles

    E-Print Network [OSTI]

    Joakim Stenhammar; Adriano Tiribocchi; Rosalind J. Allen; Davide Marenduzzo; Michael E. Cates

    2013-10-03

    Active Brownian particles (ABPs), when subject to purely repulsive interactions, are known to undergo activity-induced phase separation broadly resembling an equilibrium (attraction-induced) gas-liquid coexistence. Here we present an accurate continuum theory for the dynamics of phase-separating ABPs, derived by direct coarse-graining, capturing leading-order density gradient terms alongside an effective bulk free energy. Such gradient terms do not obey detailed balance; yet we find coarsening dynamics closely resembling that of equilibrium phase separation. Our continuum theory is numerically compared to large-scale direct simulations of ABPs and accurately accounts for domain growth kinetics, domain topologies and coexistence densities.

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

    SciTech Connect (OSTI)

    Lu, Gui; Department of Mechanical Engineering and Mechanics, Drexel University, Philadelphia, Pennsylvania 19104 ; Hu, Han; Sun, Ying E-mail: ysun@coe.drexel.edu; Duan, Yuanyuan E-mail: ysun@coe.drexel.edu

    2013-12-16

    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.

  7. 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)

    2013-04-12

    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.

  8. Isothermal Solid-State Transformation Kinetics Applied to Pd/Cu Alloy Membrane Fabrication

    SciTech Connect (OSTI)

    Pomerantz, Natalie L; Payzant, E Andrew; Ma, Yi Hua

    2010-01-01

    In this work, time-resolved, in situ high-temperature X-ray diffraction (HT-XRD) was used to study the solid-state transformation kinetics of the formation of the fcc Pd/Cu alloy from Pd/Cu bi-layers for the purpose of fabricating sulfur tolerant Pd/Cu membranes for H2 separation. Thin layers of Pd and Cu (total ~15 wt% Cu) were deposited on porous stainless steel (PSS) with the electroless deposition method and annealed in H2 at 500, 550 and 600 C. The kinetics of the annealing process were successfully described by the Avrami nucleation and growth model showing that the annealing process was diffusion controlled and one dimensional. The activation energy for the solid-state transformation was 175 kJ/mol, which was similar to the activation energy of Pd-Cu bulk interdiffusion. Furthermore, the Avrami model was able to successfully describe the changes in permeance and activation energy observed in Pd/Cu alloy membranes during characterization as they were annealed at high temperatures.

  9. Kinetic modeling and experimentation of anaerobic digestion

    E-Print Network [OSTI]

    Rea, Jonathan (Jonathan E.)

    2014-01-01

    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 ...

  10. Basic Chemical Principles 1: Reaction Kinetics

    E-Print Network [OSTI]

    Schofield, Jeremy

    ][O] Net O 3 +O #3; NOx ! 2O 2 #15; K 1 and K 2 are rate constants #15; Rate-determining step: often be lost through many channels: 1. Fluorescence (light emission) 2. Collisional deactivation #12; 3. Energy

  11. ORIGINAL PAPER Aragonite Kinetics in Dilute Solutions

    E-Print Network [OSTI]

    Grossman, Ethan L.

    controlling carbonate precipitation during desalinization (Elliot 1969; Morse et al. 1979; Omar et al. 2009), geothermal energy production (Arnorsson 1979; Amjad 1987), and waste treatment (Reddy 1978). More recently

  12. Engineering model reduction of bio-chemical kinetic David Csercsik, Katalin M. Hangos

    E-Print Network [OSTI]

    Gorban, Alexander N.

    Engineering model reduction of bio-chemical kinetic models D´avid Csercsik, Katalin M. Hangos, Hungary Significance and Aim Bio-chemical kinetic models of enzyme kinetic processes, as well reaction kinetic scheme. Therefore it is of great importance to develop bio-chemically meaningful

  13. Chemistry 231 Fall 2013 Chemistry 231, Chemical Kinetics and Molecular Reaction Dynamics

    E-Print Network [OSTI]

    Continetti, Robert E.

    Chemistry 231 Fall 2013 Chemistry 231, Chemical Kinetics and Molecular Reaction Dynamics Dept chemical kinetics, the connection between chemical kinetics and molecular reaction dynamics as well as some and Hase, Prentice Hall (1999) 4. Chemical Kinetics, K.J. Laidler, McGraw Hill (1965) 5. Gas Phase Reaction

  14. Thermodynamic and Kinetic Anisotropies in Octane Thin Films

    E-Print Network [OSTI]

    Amir Haji-Akbari; Pablo G. Debenedetti

    2015-09-25

    Confinement breaks the translational symmetry of materials. Such symmetry breaking can be used to obtain configurations that are not otherwise accessible in the bulk. Here, we explore the effect of substrate-liquid interactions on the induced thermodynamic and kinetic anisotropies. We consider n-octane nanofilms that are in contact with substrates with varying degrees of attraction. Complete freezing of octane nanofilms is observed at low temperatures, while at intermediate temperatures, a frozen monolayer emerges at both interfaces. By carefully inspecting the profiles of translational and orientational relaxation times, we confirm that the translational and orientational degrees of freedom are decoupled at these frozen monolayers. At sufficiently high temperatures, however, free interfaces and solid-liquid interfaces close to loose substrates undergo pre-freezing, characterized by mild peaks in several thermodynamic quantities. Two distinct dynamic regimes are observed. The dynamics is accelerated in the vicinity of loose substrates, while sticky substrates decelerate dynamics, sometimes by as much as two orders of magnitude. These two distinct dynamical regimes have been previously by us [JCP 141: 024506, 2014] for a model atomic glass-forming liquid. We also confirm the existence of two correlations proposed in the above-mentioned work in solid-liquid subsurface regions of octane films, i.e., a correlation between density and normal stress, and between atomic translational relaxation time and lateral stress. Finally, we inspect the ability of different regions of a film to explore the potential energy landscape, and observe no noticeable difference between the free surface and the bulk. This is unlike the films of model atomic glass formers that tend to sample their respective landscape more efficiently at free surfaces.

  15. 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

    2014-01-10

    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.

  16. Second Proof Work, Power, and Energy

    E-Print Network [OSTI]

    Kostic, Milivoje M.

    , where electromechanical energy may be kinetic or potential--and thermal energy represents overall and temperature, thereby avoiding heating and loss of work potential into thermal energy of the reaction products. renewable energy sources The continuously or frequently available (renewed daily or at least annually

  17. LABORATORY II FORCE AND CONSERVATION OF ENERGY

    E-Print Network [OSTI]

    Minnesota, University of

    on an object and its kinetic energy. · Define and use sine, cosine and tangent for a right triangleLABORATORY II FORCE AND CONSERVATION OF ENERGY Lab II - 1 After studying forces and material bodies the relationship between forces and energy conservation. Energy and forces, together, support an extremely

  18. Gravitationally Induced Particle Production: Thermodynamics and Kinetic Theory

    E-Print Network [OSTI]

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

    2014-11-24

    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 gravitation. The resulting non-equilibrium distribution function has the same functional form of equilibrium with the evolution laws corrected by the particle 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.

  19. General solutions for the oxidation kinetics of polymers

    SciTech Connect (OSTI)

    Gillen, K.T.; Clough, R.L.; Wise, J.

    1996-08-01

    The simplest general kinetic schemes applicable to the oxidation of polymers are presented, discussed and analyzed in terms of the underlying kinetic assumptions. For the classic basic autoxidation scheme (BAS), which involves three bimolecular termination steps and is applicable mainly to unstabilized polymers, typical assumptions used singly or in groups include (1) long kinetic chain length, (2) a specific ratio of the termination rate constants and (3) insensitivity to the oxygen concentration (e.g., domination by a single termination step). Steady-state solutions for the rate of oxidation are given in terms of one, two, three, or four parameters, corresponding respectively to three, two, one, or zero kinetic assumptions. The recently derived four-parameter solution predicts conditions yielding unusual dependencies of the oxidation rate on oxygen concentration and on initiation rate, as well as conditions leading to some unusual diffusion-limited oxidation profile shapes. For stabilized polymers, unimolecular termination schemes are typically more appropriate than bimolecular. Kinetics incorporating unimolecular termination reactions are shown to result in very simple oxidation expressions which have been experimentally verified for both radiation-initiated oxidation of an EPDM and thermoxidative degradation of nitrile and chloroprene elastomers.

  20. 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)

    2013-12-15

    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.

  1. Chemical Kinetic Models for HCCI and Diesel Combustion

    SciTech Connect (OSTI)

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

    2010-11-15

    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.

  2. Kinetics of bond formation in crosslinked gelatin gels

    E-Print Network [OSTI]

    T. Abete; E. Del Gado; D. Hellio Serughetti; L. de Arcangelis; M. Djabourov; A. Coniglio

    2006-11-07

    In chemical crosslinking of gelatin solutions, two different time scales affect the kinetics of the gel formation in the experiments. We complement the experimental study with Monte Carlo numerical simulations of a lattice model. This approach shows that the two characteristic time scales are related to the formation of single bonds crosslinker-chain and of bridges between chains. In particular their ratio turns out to control the kinetics of the gel formation. We discuss the effect of the concentration of chains. Finally our results suggest that, by varying the probability of forming bridges as an independent parameter, one can finely tune the kinetics of the gelation via the ratio of the two characteristic times.

  3. Kinetics of high-conversion hydrocracking of bitumen

    SciTech Connect (OSTI)

    Nagaishi, H.; Gray, M.R.; Chan, E.W.; Sanford, E.C.

    1995-12-31

    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.

  4. Kinetic Alfvén wave turbulence and formation of localized structures

    SciTech Connect (OSTI)

    Sharma, R. P.; Modi, K. V.; Mechanical Engineering Department, Government Engineering College Valsad, Gujarat 396001

    2013-08-15

    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.

  5. Spectral evolution of two-dimensional kinetic plasma turbulence in the wavenumber-frequency domain

    SciTech Connect (OSTI)

    Comi?el, H.; Institute for Space Sciences, Atomi?tilor 409, P.O. Box MG-23, Bucharest-M?gurele RO-077125 ; Verscharen, D.; Narita, Y.; Motschmann, U.; Deutsches Zentrum für Luft- und Raumfahrt, Institut für Planetenforschung, Rutherfordstr. 2, D-12489 Berlin

    2013-09-15

    We present a method for studying the evolution of plasma turbulence by tracking dispersion relations in the energy spectrum in the wavenumber-frequency domain. We apply hybrid plasma simulations in a simplified two-dimensional geometry to demonstrate our method and its applicability to plasma turbulence in the ion kinetic regime. We identify four dispersion relations: ion-Bernstein waves, oblique whistler waves, oblique Alfvén/ion-cyclotron waves, and a zero-frequency mode. The energy partition and frequency broadening are evaluated for these modes. The method allows us to determine the evolution of decaying plasma turbulence in our restricted geometry and shows that it cascades along the dispersion relations during the early phase with an increasing broadening around the dispersion relations.

  6. Generation kinetics of color centers in irradiated poly(4-methyl-1-pentene)

    SciTech Connect (OSTI)

    Peng, J. S.; Li, C. L.; Lee, Sanboh; Chou, K. F.

    2011-09-15

    The transient absorbance of poly(4-methyl-1-pentene) (PMP) irradiated with gamma rays at elevated temperatures has been investigated. The absorbance in the ultraviolet and visible range increases with gamma ray dose. A bathochromic shift in transmission spectra emerges significantly upon irradiation. A first-order generation model is proposed to analyze the kinetics of color centers during annealing. The activation energy of the color center increases with increasing gamma ray dose. The equilibrium behavior of color centers in PMP is similar to that of vacancies in metals, and the formation energy of color centers in PMP decreases with increasing gamma ray dose. However, annealable color centers are not observed in this study.

  7. 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

  8. 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)

    1997-12-31

    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.

  9. Infrared absorption spectroscopy and chemical kinetics of free radicals

    SciTech Connect (OSTI)

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

    1993-12-01

    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.

  10. Spectroscopy and kinetics of combustion gases at high temperatures

    SciTech Connect (OSTI)

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

    1993-12-01

    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.

  11. Chemical and kinetic equilibrations via radiative parton transport

    E-Print Network [OSTI]

    Bin Zhang; Warner A. Wortman

    2011-02-21

    A hot and dense partonic system can be produced in the early stage of a relativistic heavy ion collision. How it equilibrates is important for the extraction of Quark-Gluon Plasma properties. We study the chemical and kinetic equilibrations of the Quark-Gluon Plasma using a radiative transport model. Thermal and Color-Glass-Condensate motivated initial conditions are used. We observe that screened parton interactions always lead to partial pressure isotropization. Different initial pressure anisotropies result in the same asymptotic evolution. Comparison of evolutions with and without radiative processes shows that chemical equilibration interacts with kinetic equilibration and radiative processes can contribute significantly to pressure isotropization.

  12. Bifurcation in kinetic equation for interacting Fermi systems

    E-Print Network [OSTI]

    Klaus Morawetz

    2003-01-27

    The finite duration of collisions appear as time-nonlocality in the kinetic equation. Analyzing the corresponding quantum kinetic equation for dense interacting Fermi systems a delay differential equation is obtained which combines time derivatives with finite time stepping known from the logistic mapping. The responsible delay time is explicitly calculated and discussed. As a novel feature oscillations in the time evolution of the distribution function itself appear and bifurcations up to chaotic behavior can occur. The temperature and density conditions are presented where such oscillations and bifurcations arise indicating an onset of phase transition.

  13. Recent advances in the kinetics of oxygen reduction

    SciTech Connect (OSTI)

    Adzic, R.

    1996-07-01

    Oxygen reduction is considered an important electrocatalytic reaction; the most notable need remains improvement of the catalytic activity of existing metal electrocatalysts and development of new ones. A review is given of new advances in the understanding of reaction kinetics and improvements of the electrocatalytic properties of some surfaces, with focus on recent studies of relationship of the surface properties to its activity and reaction kinetics. The urgent need is to improve catalytic activity of Pt and synthesize new, possibly non- noble metal catalysts. New experimental techniques for obtaining new level of information include various {ital in situ} spectroscopies and scanning probes, some involving synchrotron radiation. 138 refs, 18 figs, 2 tabs.

  14. Strategies to reduce energy demand in manufacturing processes are becoming necessary due to the growing concern of carbon emissions and the expected rise of electricity prices over time. To guide the development of these strategies, the results of a life-cycle energy consumption analysis of milling machine tools are first highlighted to show the effect of several factors such as degree of automation, manufacturing environment, transportation, material inputs, and facility inputs on environmental impact. An overview of design and operation strategies to reduce energy consumption is thereafter presented including the implementation of a Kinetic Energy Recovery System (KERS), a process parameter selection strategy, and a web-based energy estimation tool.

    E-Print Network [OSTI]

    Dornfeld, David; Wright, Paul

    2007-01-01

    The 1.7 kilogram microchip: Energy and material use in the2002) describing the energy and materials that go into athe cost of materials and manufacturing (in terms of energy

  15. On self-similar solutions to a kinetic equation arising in weak turbulence theory for the nonlinear Schrödinger equation

    E-Print Network [OSTI]

    A. H. M. Kierkels; J. J. L. Velázquez

    2015-11-04

    We construct a family of self-similar solutions with fat tails to a quadratic kinetic equation. This equation describes the long time behaviour of weak solutions with finite mass to the weak turbulence equation associated to the nonlinear Schr\\"odinger equation. The solutions that we construct have finite mass, but infinite energy. In J. Stat. Phys. 159:668-712, self-similar solutions with finite mass and energy were constructed. Here we prove upper and lower exponential bounds on the tails of these solutions.

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

    SciTech Connect (OSTI)

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

    1993-12-31

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

  17. A Kinetic Monte Carlo model for material aging: Simulations of second phase formation at Au/Bi{sub 2}Te{sub 3} junction in oxygen environments

    SciTech Connect (OSTI)

    Zhou, X. W., E-mail: xzhou@sandia.gov [Mechanics of Materials Department, Sandia National Laboratories, Livermore, California 94550 (United States); Yang, N. Y. C. [Energy Nanomaterials Department, Sandia National Laboratories, Livermore, California 94550 (United States)

    2014-03-14

    Electronic properties of semiconductor devices are sensitive to defects such as second phase precipitates, grain sizes, and voids. These defects can evolve over time especially under oxidation environments and it is therefore important to understand the resulting aging behavior in order for the reliable applications of devices. In this paper, we propose a kinetic Monte Carlo framework capable of simultaneous simulation of the evolution of second phases, precipitates, grain sizes, and voids in complicated systems involving many species including oxygen. This kinetic Monte Carlo model calculates the energy barriers of various events based directly on the experimental data. As a first step of our model implementation, we incorporate the second phase formation module in the parallel kinetic Monte Carlo codes SPPARKS. Selected aging simulations are performed to examine the formation of second phase precipitates at the eletroplated Au/Bi{sub 2}Te{sub 3} interface under oxygen and oxygen-free environments, and the results are compared with the corresponding experiments.

  18. Metabolic and Kinetic Analysis of Poly(3-Hydroxybutyrate) Production by

    E-Print Network [OSTI]

    constant at 1.1 min-1 . All major consumption and production rates were quantified. The intracellularMetabolic and Kinetic Analysis of Poly(3-Hydroxybutyrate) Production by Recombinant Escherichia Abstract: A quantitatively repeatable protocol was devel- oped for poly(3-hydroxybutyrate) (PHB) production

  19. 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

  20. The Inverse Kinetics Method and PID Compensation of the

    E-Print Network [OSTI]

    spent working with me to understand the nuclear reactor theory. Additional thanks to Dr. Parma for all.1 Overview . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8 2.2 Nuclear Reaction TheoryThe Inverse Kinetics Method and PID Compensation of the Annular Core Research Reactor by Benjamin

  1. KINETIC ANALYSIS OF BIOMOLECULAR INTERACTIONS USING LABEL-FREE BIOSENSORS

    E-Print Network [OSTI]

    Zhu, Xiangdong

    KINETIC ANALYSIS OF BIOMOLECULAR INTERACTIONS USING LABEL-FREE BIOSENSORS Yung-Shin Sun1 and X. D-free biosensors involves the monitoring of binding between biomolecules. However, a number of experimental may be avoided or resolved. Using a label-free oblique-incidence reflectivity difference biosensor

  2. 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

  3. Kinetic model for nitric oxide formation during pulverized coal combustion

    SciTech Connect (OSTI)

    Mitchell, J.W.; Tarbell, J.M.

    1982-03-01

    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.

  4. Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate

    SciTech Connect (OSTI)

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

    2007-09-17

    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.

  5. Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate

    SciTech Connect (OSTI)

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

    2007-09-20

    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.

  6. Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate

    SciTech Connect (OSTI)

    Herbinet, Olivier; Pitz, William J.; Westbrook, Charles K.

    2008-08-15

    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)

  7. The QSSA in Chemical Kinetics: As Taught and as Practiced

    E-Print Network [OSTI]

    Craciun, Gheorghe

    . Rawlings, and Gheorghe Craciun Abstract Chemical mechanisms for even simple reaction networks involve manyThe QSSA in Chemical Kinetics: As Taught and as Practiced Casian Pantea, Ankur Gupta, James B to the main reactants and products, present in larger concentrations. The chemical mechanism also often

  8. Kinetic Model Reduction using Integer and Semi-infinite Programming

    E-Print Network [OSTI]

    of Philosophy in Chemical Engineering Abstract In this work an optimization-based approach to kinetic model Submitted to the Department of Chemical Engineering in partial fulfillment of the requirements for the degree of Doctor of Philosophy in Chemical Engineering at the MASSACHUSETTS INSTITUTE OF TECHNOLOGY

  9. 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

  10. 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

  11. 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

  12. 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

  13. Generalised hydrodynamic reductions of the kinetic equation for soliton gas

    E-Print Network [OSTI]

    Generalised hydrodynamic reductions of the kinetic equation for soliton gas Gennady A. El1 , Maxim of Russian Academy of Sciences, Moscow, 53 Leninskij Prospekt, Moscow, Russia 3 Laboratory of Geometric, Moscow, Russia 4 Institute for Nuclear Research, National Academy of Sciences of Ukraine, 47 pr. Nauky

  14. Kinetic Controls on Cu and Pb Sorption by Ferrihydrite

    E-Print Network [OSTI]

    Sparks, Donald L.

    important sorbents in soils, sediments, and water bodies and is frequently used for wastewater treatment (1 on the kinetics of metal uptake by ferrihydrite gel than by dense ferrihydrite. Independently of treatment that the surfaces of primary particles with diameters of only a few nanometers are accessible even after aggregation

  15. 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

  16. Scaling of asymmetric magnetic reconnection: Kinetic particleincell simulations

    E-Print Network [OSTI]

    of this scaling theory using fully electromagnetic particleincell simulations of antiparallel asymmetric magnetic, outflow speeds, and outflow densities are consistent with the general scaling theory. This implies that kinetic electron and proton physics beyond the Hall term does not fundamentally alter the gross properties

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

    SciTech Connect (OSTI)

    Smith, R. Scott; Matthiesen, Jesper; Kay, Bruce D.

    2014-09-18

    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.

  18. Single-particle kinetics of influenza virus membrane fusion

    E-Print Network [OSTI]

    Single-particle kinetics of influenza virus membrane fusion Daniel L. Floyd*, Justin R. Ragains for review July 24, 2008) Membrane fusion is an essential step during entry of enveloped viruses into cells. Conventional fusion assays are generally limited to observation of ensembles of multiple fusion events

  19. Enzyme Kinetics: Theory and Practice Alistair Rogers and Yves Gibon

    E-Print Network [OSTI]

    Rogers, Alistair

    to the right, and the reverse reaction is infinitesimally small. We can define the reaction rate or velocity (v Enzymes, like all positive catalysts, dramatically increase the rate of a given reaction. Enzyme kinetics is principally concerned with the measurement and math- ematical description of this reaction rate and its

  20. Kinetic Modeling of Counterflow Diffusion Flames of Butadiene

    E-Print Network [OSTI]

    Senkan, Selim M.

    Kinetic Modeling of Counterflow Diffusion Flames of Butadiene SILVIA GRANATA, TIZIANO FARAVELLI structures of counterflow diffusion and fuel-rich premixed 1,3-butadiene flames, to better understand the need for improved models and also the opportunity of new experiments of butadiene oxidation

  1. Thermochemistry and Kinetics of Silicon Hydride Cluster Formation during Thermal Decomposition of Silane

    E-Print Network [OSTI]

    Swihart, Mark T.

    Thermochemistry and Kinetics of Silicon Hydride Cluster Formation during Thermal Decomposition of Silane Mark T. Swihart*, and Steven L. Girshick Department of Mechanical Engineering, Uni an extensive chemical kinetic mechanism for silicon hydride cluster formation during silane pyrolysis

  2. Progress in an oxygen-carrier reaction kinetics experiment for rotary-bed chemical looping combustion

    E-Print Network [OSTI]

    Jester-Weinstein, Jack (Jack L.)

    2013-01-01

    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 ...

  3. Characterizing osmotic lysis kinetics under microfluidic hydrodynamic focusing for erythrocyte fragility studies

    E-Print Network [OSTI]

    Lu, Chang

    Characterizing osmotic lysis kinetics under microfluidic hydrodynamic focusing for erythrocyte microfluidic tool for examining erythrocyte fragility based on characterizing osmotic lysis kinetics deformability include osmotic fragility tests,18­20 filtration,21,22 ektacytometry,23­25 rheoscopy,26

  4. Hydration kinetics modeling of Portland cement considering the effects of curing temperature and applied pressure

    E-Print Network [OSTI]

    Meyer, Christian

    pressure. However, elevated temperatures and high pressures are frequently encountered in oil wells whereHydration kinetics modeling of Portland cement considering the effects of curing temperature 2006 Accepted 28 January 2009 Keywords: Hydration Kinetics Portland cement Modeling Thermodynamics

  5. 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

  6. 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 ...

  7. KINETIC MODELING OF FUEL EFFECTS OVER A WIDE RANGE OF CHEMISTRY...

    Office of Scientific and Technical Information (OSTI)

    KINETIC MODELING OF FUEL EFFECTS OVER A WIDE RANGE OF CHEMISTRY, PROPERTIES, AND SOURCES Citation Details In-Document Search Title: KINETIC MODELING OF FUEL EFFECTS OVER A WIDE...

  8. Extension of the quantum-kinetic model to lunar and Mars return physics

    SciTech Connect (OSTI)

    Liechty, D. S.; Lewis, M. J.

    2014-02-15

    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.

  9. Hydrocracking kinetics of Gudao residue in the presence of dispersed-phase Mo catalyst

    SciTech Connect (OSTI)

    Liu, Chenguang; Zhou, Jiashun; Que, Guohe; Liang, Wenjie; Zhu, Yajie [Univ. of Petroleum, Dongying (China)

    1993-12-31

    The kinetics of the catalytic hydrocracking of Gudao vacuum residue in the presence of dispersed-phase Mo catalyst was studied over the temperature range of 390-435{degrees}C. in a batch autoclave. The change of the weight percentages of the six pseudocomponents, i.e., coke (benzene insolubles), cracked volatiles (480{degrees}C{minus}) and the four fractions (saturates, aromatics, resins and asphaltenes) of the 480{degrees}C{sup +} residue, were determined as a function of reaction time. A complex reaction network of the above six pseudocomponents was proposed, which included the first order reactions with respect to the majority of pseudocomponents except the condensation of asphaltenes (i.e., coke formation) ascribed to the second order reaction. The reaction rate constants and the activation energies were calculated using the complex method. The results indicated that there was a good agreement between the model prediction and the experimental product distribution. This suggested that the kinetics model was reasonable for the hydrocracking of Gudao residue in the presence of dispersed-phase Mo catalyst.

  10. Binding kinetics of membrane-anchored receptors and ligands: molecular dynamics simulations and theory

    E-Print Network [OSTI]

    Jinglei Hu; Guang-Kui Xu; Reinhard Lipowsky; Thomas R. Weikl

    2015-11-24

    The adhesion of biological membranes is mediated by the binding of membrane-anchored receptor and ligand proteins. Central questions are how the binding kinetics of these proteins is affected by the membranes and by the membrane anchoring of the proteins. In this article, we (i) present detailed data for the binding of membrane-anchored proteins from coarse-grained molecular dynamics simulations, and (ii) provide a theory that describes how the binding kinetics depends on the average separation and thermal roughness of the adhering membranes, and on the anchoring, lengths, and length variations of the proteins. An important element of our theory is the tilt of bound receptor-ligand complexes and transition-state complexes relative to the membrane normals. This tilt results from an interplay of the anchoring energy and rotational entropy of the complexes and facilitates the formation of receptor-ligand bonds at membrane separations smaller than the preferred separation for binding. In our simulations, we have considered both lipid-anchored and transmembrane receptor and ligand proteins. We find that the binding equilibrium constant and binding on-rate constant of lipid-anchored proteins are considerably smaller than the binding constant and on-rate constant of rigid transmembrane proteins with identical binding domains.

  11. Kinetic Formulation of the Kohn-Sham Equations for ab initio Electronic Structure Calculations

    E-Print Network [OSTI]

    Mendoza, M; Herrmann, H J

    2013-01-01

    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...

  12. Kinetics of Water Adsorption-Driven Structural Transformation of ZnS Nanoparticles

    SciTech Connect (OSTI)

    Goodell, Carmen M.; Gilbert, Benjamin; Weigand, Steven J.; Banfield, Jillian F. (UCB); (NWU); (LBNL)

    2008-10-16

    Nanoparticles of certain materials can respond structurally to changes in their surface environments. We have previously shown that methanol, water adsorption, and aggregation?disaggregation can change the structure of 3 nm diameter zinc sulfide (ZnS). However, in prior observations of water-driven structure change, aggregation also may have taken place. Therefore, we investigated the structural consequences of water adsorption alone on anhydrous nanoparticles that were dried to minimize changes in aggregation. Using simultaneously collected small- and wide-angle X-ray scattering (SAXS and WAXS) data, we showed that water vapor adsorption alone drives a structural transformation in ZnS nanoparticles in the temperature range of 22--40 C. The transition kinetics is strongly temperature dependent, with an activation energy of 55 {+-} 10 kJ/mol, consistent with atom displacement rather than bond breaking. At 50 C, aggregate restructuring occurred, increasing the transition kinetics beyond the rate expected for water adsorption alone. The observation of isosbestic points in the WAXS data suggests that the particles do not transform continuously between the initial and the final structural state but rather undergo an abrupt change from a less ordered to a more ordered state.

  13. Guest Molecule Exchange Kinetics for the 2012 Ignik Sikumi Gas Hydrate Field Trial

    SciTech Connect (OSTI)

    White, Mark D.; Lee, Won Suk

    2014-05-14

    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.

  14. 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.

    2012-04-01

    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).

  15. 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.

    2015-04-08

    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. As a result, quasi-classical trajectory studies confirm that the differing rotational state dependence is primarily a kinematic effect.« less

  16. 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)

    2015-04-08

    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.

  17. Energy Loss at Propagating Jamming Fronts in Granular Gas Clusters

    E-Print Network [OSTI]

    Justin C. Burton; Peter Y. Lu; Sidney R. Nagel

    2013-10-15

    We explore the initial moments of impact between two dense granular clusters in a two-dimensional geometry. The particles are composed of solid CO$_{2}$ and are levitated on a hot surface. Upon collision, the propagation of a dynamic "jamming front" produces a distinct regime for energy dissipation in a granular gas in which the translational kinetic energy decreases by over 90%. Experiments and associated simulations show that the initial loss of kinetic energy obeys a power law in time, $\\Delta E=-Kt^{3/2}$, a form that can be predicted from kinetic arguments.

  18. Gas-Kinetic Finite Volume Methods K. Xu, L. Martinelli, A. Jameson

    E-Print Network [OSTI]

    Jameson, Antony

    Gas-Kinetic Finite Volume Methods K. Xu, L. Martinelli, A. Jameson Department of M.A.E, Princeton University, Prificeton N.J. 08544, USA 1 Introduction Gas-kinetic schemes developed from the BGK model have been successfully applied to 1-D and 2-D flows [1,2]. One of the advantages of the gas-kinetic approach

  19. Edinburgh Research Explorer A rule-based kinetic model of RNA polymerase II C-terminal

    E-Print Network [OSTI]

    Millar, Andrew J.

    phosphorylation Citation for published version: Aitken, S, Alexander, RD & Beggs, JD 2013, 'A rule-based kinetic. Interface Stuart Aitken, Ross D. Alexander and Jean D. Beggs domain phosphorylation A rule-based kinetic.royalsocietypublishing.org Research Cite this article: Aitken S, Alexander RD, Beggs JD. 2013 A rule-based kinetic model of RNA

  20. Using Stochastic Roadmap Simulation to Predict Experimental Quantities in Protein Folding Kinetics: Folding Rates and

    E-Print Network [OSTI]

    Latombe, Jean-Claude

    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

  1. Tidal Energy Research

    SciTech Connect (OSTI)

    Stelzenmuller, Nickolas; Aliseda, Alberto; Palodichuk, Michael; Polagye, Brian; Thomson, James; Chime, Arshiya; Malte, Philip

    2014-03-31

    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.

  2. Approximations to the Distributed Activation Energy Model

    E-Print Network [OSTI]

    Approximations to the Distributed Activation Energy Model for Pyrolysis C.P. Please, 1 M.J. Mc, then resubmitted after minor revisions in September 2002. Abstract The Distributed Activation Energy Model (DAEM effective method for estimating kinetic parameters and the distribution of activation energies. Comparison

  3. Integral encounter theories of the multistage reactions. III. Reversible intramolecular energy transfer

    E-Print Network [OSTI]

    Burshtein, Anatoly

    Integral encounter theories of the multistage reactions. III. Reversible intramolecular energy January 2001 The matrix Integral Encounter Theory IET and its modified version MET developed earlier states is longer. Integral encounter theory describes adequately the kinetics of energy conservation

  4. Quantum potential energy as concealed motion

    E-Print Network [OSTI]

    Peter Holland

    2014-11-13

    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.

  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

    2011-01-01

    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. 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)

    2007-08-01

    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.

  7. A quantum kinetic equation for Fermi-systems including three-body correlations

    E-Print Network [OSTI]

    A. Sedrakian; G. Roepke

    1998-04-23

    A single-time quantum transport equation, which includes effects beyond the quasiparticle approximation, is derived for Fermi-systems in the framework of non-equilibrium real-time Green's functions theory. Ternary correlations are incorporated in the kinetic description via a cluster expansion for the self-energies (e.g., the transport vertex and the width) truncated at the level of three-body scattering amplitudes. A finite temperature/density formulation of the three-body problem is given. Corresponding three-body equations reduce to the well-known Faddeev equations in the vacuum limit. In equilibrium the equation of state contains virial corrections proportional to the third quantum virial coefficient.

  8. 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

    2012-01-01

    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.

  9. A Pore Scale Evaluation of the Kinetics of Mineral Dissolution and Precipitation Reactions (EMSI)

    SciTech Connect (OSTI)

    Steefel, Carl I.

    2006-06-01

    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.

  10. Hydro-kinetic approach to relativistic heavy ion collisions

    E-Print Network [OSTI]

    Akkelin, S V; Karpenko, Iu A; Sinyukov, Yu M

    2008-01-01

    We develop a combined hydro-kinetic approach which incorporates 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 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 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 ...

  11. Elastohydrodynamics and kinetics of protein patterning in the immunological synapse

    E-Print Network [OSTI]

    Carlson, Andreas

    2015-01-01

    The cellular basis for the adaptive immune response during antigen recognition relies on a specialized protein interface known as the immunological synapse (IS). Understanding the biophysical basis for protein patterning by deciphering the quantitative rules for their formation and motion is an important aspect of characterizing immune cell recognition and thence the rules for immune system activation. We propose a minimal mathematical model for the physical basis of membrane protein patterning in the IS, which encompass membrane mechanics, protein binding kinetics and motion, and fluid flow in the synaptic cleft. Our theory leads to simple predictions for the spatial and temporal scales of protein cluster formation, growth and arrest as a function of membrane stiffness, rigidity and kinetics of the adhesive proteins, and the fluid in the synaptic cleft. Numerical simulations complement these scaling laws by quantifying the nucleation, growth and stabilization of proteins domains on the size of the cell. Dire...

  12. RESOLUTION OF URANIUM ISOTOPES WITH KINETIC PHOSPHORESCENCE ANALYSIS

    SciTech Connect (OSTI)

    Miley, Sarah M.; Hylden, Anne T.; Friese, Judah I.

    2013-04-01

    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. Fundamental and semi-global kinetic mechanisms for hydrocarbon combustion. Final report, March 1977-October 1980

    SciTech Connect (OSTI)

    Dryer, F L; Glassman, I; Brezinsky, K

    1981-03-01

    Over the past three and one half years, substantial research efforts of the Princeton Fuels Research Group have been directed towards the development of simplified mechanisms which would accurately describe the oxidation of hydrocarbons fuels. The objectives of this combustion research included the study of semi-empirical modeling (that is an overall description) of the chemical kinetic mechanisms of simple hydrocarbon fuels. Such fuels include the alkanes: ethane, propane, butane, hexane and octane as well as the critically important alkenes: ethene, propene and butene. As an extension to this work, the study of the detailed radical species characteristics of combustion systems was initiated as another major aspect of the program, with emphasis on the role of the OH and HO/sub 2/ radicals. Finally, the studies of important alternative fuel problems linked the program to longer range approaches to the energy supply question. Studies of alternative fuels composed the major elements of this area of the program. The efforts on methanol research were completed, and while the aromatics aspects of the DOE work have been a direct extension of efforts supported by the Air Force Office of Scientific Research, they represented a significant part of the overall research effort. The emphasis in the proposed program is to provide further fundamental understanding of the oxidation of hydrocarbon fuels which will be useful in guiding engineering approaches. Although the scope of program ranges from the fundamentals of chemical kinetics to that of alternative fuel combustion, the objective in mind is to provide insight and guidance to the understanding of practical combustion environments. The key to our approach has been our understanding of the fundamental combustion chemistry and its relation to the important practical combustion problems which exist in implementing energy efficient, alternate fuels technologies.

  14. Excitation of kinetic Alfvén waves by fast electron beams

    SciTech Connect (OSTI)

    Chen, L.; Wu, D. J.; Zhao, G. Q. [Purple Mountain Observatory, CAS, Nanjing (China); Tang, J. F. [Xinjiang Astronomical Observatory, CAS, Urumqi 830011 (China); Huang, J., E-mail: clvslc214@pmo.ac.cn, E-mail: djwu@pmo.ac.cn, E-mail: gqzhao@pmo.ac.cn, E-mail: jftang@xao.ac.cn, E-mail: huangj@bao.ac.cn [Key Laboratory of Solar Activity, National Astronomical Observatories, Chinese Academy of Sciences, Beijing (China)

    2014-09-20

    Energetic electron beams, which are ubiquitous in a large variety of active phenomena in space and astrophysical plasmas, are one of the most important sources that drive plasma instabilities. In this paper, taking account of the return-current effect of fast electron beams, kinetic Alfvén wave (KAW) instability driven by a fast electron beam is investigated in a finite-? plasma of Q < ? < 1 (where ? is the kinetic-to-magnetic pressure ratio and Q ? m{sub e} /m{sub i} is the mass ratio of electrons to ions). The results show that the kinetic resonant interaction of beam electrons is the driving source for KAW instability, unlike the case driven by a fast ion beam, where both the kinetic resonant interaction of beam ions and the return-current are the driving source for the KAW instability. KAW instability has a nonzero growth rate in the range of the perpendicular wave number, 0

  15. Observable Gravitational Waves From Kinetically Modified Non-Minimal Inflation

    E-Print Network [OSTI]

    C. Pallis

    2015-10-08

    We consider Supersymmetric (SUSY) and non-SUSY models of chaotic inflation based on the simplest power-law potential with exponents n=2 and 4. We propose a convenient non-minimal coupling to gravity and a non-minimal kinetic term which ensure, mainly for n=4, inflationary observables favored by the BICEP2/Keck Array and Planck results. Inflation can be attained for subplanckian inflaton values with the corresponding effective theories retaining the perturbative unitarity up to the Planck scale.

  16. Observable Gravitational Waves From Kinetically Modified Non-Minimal Inflation

    E-Print Network [OSTI]

    Pallis, C

    2015-01-01

    We consider Supersymmetric (SUSY) and non-SUSY models of chaotic inflation based on the simplest power-law potential with exponents n=2 and 4. We propose a convenient non-minimal coupling to gravity and a non-minimal kinetic term which ensure, mainly for n=4, inflationary observables favored by the BICEP2/Keck Array and Planck results. Inflation can be attained for subplanckian inflaton values with the corresponding effective theories retaining the perturbative unitarity up to the Planck scale.

  17. Fab 5: noncanonical kinetic gravity, self tuning, and cosmic acceleration

    SciTech Connect (OSTI)

    Appleby, Stephen A.; Linder, Eric V. [Institute for the Early Universe WCU, Ewha Womans University, Seoul (Korea, Republic of); Felice, Antonio De, E-mail: stephen.appleby@ewha.ac.kr, E-mail: adefelic@gmail.com, E-mail: evlinder@lbl.gov [ThEP's CRL, NEP, The Institute for Fundamental Study, Naresuan University, Phitsanulok 65000 (Thailand)

    2012-10-01

    We investigate circumstances under which one can generalize Horndeski's most general scalar-tensor theory of gravity. Specifically we demonstrate that a nonlinear combination of purely kinetic gravity terms can give rise to an accelerating universe without the addition of extra propagating degrees of freedom on cosmological backgrounds, and exhibit self tuning to bring a large cosmological constant under control. This nonlinear approach leads to new properties that may be instructive for exploring the behaviors of gravity.

  18. 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

    2012-07-10

    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.

  19. A kinetic model for the liquefaction of Texas lignite 

    E-Print Network [OSTI]

    Haley, Sandra Kay

    1980-01-01

    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...

  20. Einstein static Universe in non-minimal kinetic coupled gravity

    E-Print Network [OSTI]

    K. Atazadeh; F. Darabi

    2015-04-18

    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.

  1. KINETICS OF HOT-GAS DESULFURIZATION SORBENTS FOR TRANSPORT REACTORS

    SciTech Connect (OSTI)

    K.C. Kwon

    2003-02-01

    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 EX-SO3 was examined in this report. This sorbent was obtained from the Research Triangle Institute (RTI). The sorbent in the form of 110 {micro}m particles are reacted with 18000-ppm hydrogen sulfide at 350-550 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.

  2. GECCO Ocean Energy System Luis Maristany, Nicole Waters, Billy W. Wells Jr., Mario Suarez, Richard Gestewitz, Alexej Wiest,

    E-Print Network [OSTI]

    Wood, Stephen L.

    types of materials, supplies, as well as energy; however the exploration of wave energy as a resource Operation) is a wave energy converter that extracts kinetic energy from ocean waves using a rugged, innovative mechanical multi-system. Index Terms--Ocean energy, wave energy, hydrokinetic energy, alternative

  3. Formal definition of POTENTIAL ENERGY (valid for conservative forces only)

    E-Print Network [OSTI]

    some kinetic energy as well as some potential energy change along the way. Question: What doespage - 16 Formal definition of POTENTIAL ENERGY (valid for conservative forces only) Given one type of conservative force F UB - UA= - = - Definition of 'Potential energy difference" conserv #12;page - 17

  4. Meson Production at Low Proton Beam Energy X. Ding, UCLA

    E-Print Network [OSTI]

    McDonald, Kirk

    Meson Production at Low Proton Beam Energy (Update) X. Ding, UCLA Target Studies May 9, 2013 15; · Meson Production at low proton beam energy (below 4 GeV) seems higher for Ga than Hg from our kinetic energy · EM: The hadron threshold energy (Default: 0.0145 GeV) · EPSTAM: The star production

  5. Anisotropic constraints on energy distribution in rotating and stratified turbulence

    E-Print Network [OSTI]

    Kurien, Susan

    OFFPRINT Anisotropic constraints on energy distribution in rotating and stratified turbulence S) 24003 www.epljournal.org doi: 10.1209/0295-5075/84/24003 Anisotropic constraints on energy distribution enstrophy constrains the spectral distribution of horizontal kinetic energy and potential energy. Horizontal

  6. Isotope exchange kinetics in metal hydrides I : TPLUG model.

    SciTech Connect (OSTI)

    Larson, Rich; James, Scott Carlton; Nilson, Robert H.

    2011-05-01

    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.

  7. Tunneling effects in the kinetics of helium and hydrogen isotopes desorption from single-walled carbon nanotube bundles

    SciTech Connect (OSTI)

    Danilchenko, B. A. Yaskovets, I. I.; Uvarova, I. Y.; Dolbin, A. V.; Esel'son, V. B.; Basnukaeva, R. M.; Vinnikov, N. A.

    2014-04-28

    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.

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

    ScienceCinema (OSTI)

    Idaho National Laboratory

    2010-01-08

    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,

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

    ScienceCinema (OSTI)

    INL

    2009-09-01

    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.

  10. S9 -Kinetics & Mechanism of Metal Sorption/Release on Natural Materials KINETICS OF OXYANION SORPTION ON METAL OXIDES: A TIME-

    E-Print Network [OSTI]

    Sparks, Donald L.

    S9 - Kinetics & Mechanism of Metal Sorption/Release on Natural Materials KINETICS OF OXYANION Whilesulfateandborateareimportantforbothenvironmentalandagronomicreasons,thechemistry of these oxyanions in soils is still poorly understood.The mechanism of sulfate-sphere adsorption occurs at lower ionic strength.ApH and ionic strength dependent mechanism of adsorption has also

  11. CHEMISTRY 223: Introductory Physical Chemistry I. Kinetics 1: Gas laws, kinetic theory of collisions. Thermodynamics: Zeroth law of thermodynamics. First law of thermodynamics, heat capacity,

    E-Print Network [OSTI]

    Ronis, David M.

    CHEMISTRY 223: Introductory Physical Chemistry I. Kinetics 1: Gas laws, kinetic theory or are taking CHEM 203 or CHEM 204. Note: Chemistry Honours and Majors must take CHEM 223 and CHEM 253 edition (Pearson Education, Inc., 2013). J.R. Barrante, Applied Mathematics for Physical Chemistry, 3rd

  12. Modeling the Kinetics of Deactivation of Catalysts during the Upgrading of Bio-Oil

    SciTech Connect (OSTI)

    Weber, Robert S.; Olarte, Mariefel V.; Wang, Huamin

    2015-01-25

    The fouling of catalysts for the upgrading of bio-oils appears to be very different from the fouling of catalysts for the hydroprocessing of petroleum-derived streams. There are two reasons for the differences: a) bio-oil contains polarizable components and phases that can stabilize reaction intermediates exhibiting charge separation and b) bio-oil components contain functional groups that contain O, notably carbonyls (>C=O). Aldol condensation of carbonyls affords very different pathways for the production of oligomeric, refractory deposits than does dehydrogenation/polymerization of petroleum-derived hydrocarbons. Colloquially, we refer to the bio-oil derived deposits as “gunk” to discriminate them from coke, the carbonaceous deposits encountered in petroleum refining. Classical gelation, appears to be a suitable model for the “gunking” reaction. Our work has helped explain the temperature range at which bio-oil should be pre-processed (“stabilized”) to confer longer lifetimes on the catalysts used for more severe processing. Stochastic modeling (kinetic Monte Carlo simulations) appears suitable to capture the rates of oligomerization of bio-oil. This work was supported by the US Department of Energy, Office of Energy Efficiency and Renewable Energy, Bioenergy Technologies Office. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle.

  13. Formalized Quantum Stochastic Processes and Hidden Quantum Models with Applications to Neuron Ion Channel Kinetics

    E-Print Network [OSTI]

    Alan Paris; George Atia; Azadeh Vosoughi; Stephen Berman

    2015-10-31

    A new class of formal latent-variable stochastic processes called hidden quantum models (HQM's) is defined in order to clarify the theoretical foundations of ion channel signal processing. HQM's are based on quantum stochastic processes which formalize time-dependent observation. They allow the calculation of autocovariance functions which are essential for frequency-domain signal processing. HQM's based on a particular type of observation protocol called independent activated measurements are shown to to be distributionally equivalent to hidden Markov models yet without an underlying physical Markov process. Since the formal Markov processes are non-physical, the theory of activated measurement allows merging energy-based Eyring rate theories of ion channel behavior with the more common phenomenological Markov kinetic schemes to form energy-modulated quantum channels. Using the simplest quantum channel model consistent with neuronal membrane voltage-clamp experiments, activation eigenenergies are calculated for the Hodgkin-Huxley K+ and Na+ ion channels. It is also shown that maximizing entropy under constrained activation energy yields noise spectral densities approximating $S(f) \\sim 1/f^\\alpha$, thus offering a biophysical explanation for the ubiquitous $1/f$-type in neurological signals.

  14. A kinetic Monte Carlo method for the simulation of massive phase transformations

    SciTech Connect (OSTI)

    Bos, C.; Sommer, F.; Mittemeijer, E.J

    2004-07-12

    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.

  15. 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: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefieldSulfateSciTechtail.Theory ofDid you not find what youSummerEmployment Opportunities Thank you forEnergy

  16. 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 Data Center Home Page on Delicious Rank EERE:FinancingPetroleum Based|DepartmentStatementof EnergyQuality'Lean' System09 EMABMay 200810 U.S.

  17. Anomalous energy transport in the FPU-beta chain

    E-Print Network [OSTI]

    Jani Lukkarinen; Herbert Spohn

    2007-04-12

    We consider the energy current correlation function for the FPU-beta lattice. For small non-linearity one can rely on kinetic theory. The issue reduces then to a spectral analysis of the linearized collision operator. We prove thereby that, on the basis of kinetic theory, the energy current correlations decay in time as t^(-3/5). It follows that the thermal conductivity is anomalous, increasing as N^(2/5) with the system size N.

  18. Turbulent Flame Speeds and NOx Kinetics of HHC Fuels with Contaminants and High Dilution Levels

    SciTech Connect (OSTI)

    Petersen, Eric; Krejci, Michael; Mathieu, Olivier; Vissotski, Andrew; Ravi, Sankar; Sikes, Travis; Levacque, Anthony; Aul, Christopher; Peterson, Eric

    2011-09-30

    This progress report documents the first year of the project, from October 1, 2010 through September 30, 2011. Laminar flame speeds and ignition delay times have been measured for hydrogen and various compositions of H2/CO (syngas) at elevated pressures and elevated temperatures. Two constant-volume cylindrical vessels were used to visualize the spherical growth of the flame through the use of a schlieren optical setup to measure the laminar flame speed of the mixture. Hydrogen experiments were performed at initial pressures up to 10 atm and initial temperatures up to 443 K. A syngas composition of 50/50 was chosen to demonstrate the effect of carbon monoxide on H2-O2 chemical kinetics at standard temperature and pressures up to 10 atm. All atmospheric mixtures were diluted with standard air, while all elevated-pressure experiments were diluted with a He:O2 of 7:1 to minimize hydrodynamic instabilities. The laminar flame speed measurements of hydrogen and syngas are compared to available literature data over a wide range of equivalence ratios where good agreement can be seen with several data sets. Additionally, an improved chemical kinetics model is shown for all conditions within the current study. The model and the data presented herein agree well, which demonstrates the continual, improved accuracy of the chemical kinetics model. A high-pressure shock tube was used to measure ignition delay times for several baseline compositions of syngas at three pressures across a wide range of temperatures. The compositions of syngas (H2/CO) presented in this study include 80/20, 50/50, 40/60, 20/80, and 10/90, all of which are compared to previously published ignition delay times from a hydrogen-oxygen mixture to demonstrate the effect of carbon monoxide addition. Generally, an increase in carbon monoxide increases the ignition delay time, but there does seem to be a pressure dependency. At low temperatures and pressures higher than about 12 atm, the ignition delay times appear to be indistinguishable with an increase in carbon monoxide. However, at high temperatures the composition of H2 and CO has a strong influence on ignition delay times. Model agreement is good across the range of the study, particularly at the elevated pressures. Also an increase in carbon monoxide causes the activation energy of the mixture to decrease.

  19. Energy Conversion & Storage Program, 1993 annual report

    SciTech Connect (OSTI)

    Cairns, E.J.

    1994-06-01

    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.

  20. Kinetics and mechanisms of reactions involving small aromatic reactive intermediates

    SciTech Connect (OSTI)

    Lin, M.C. [Emory Univ., Atlanta, GA (United States)

    1993-12-01

    Small aromatic radicals such as C{sub 6}H{sub 5}, C{sub 6}H{sub 5}O and C{sub 6}H{sub 4} are key prototype species of their homologs. C{sub 6}H{sub 5} and its oxidation product, C{sub 6}H{sub 5}O are believed to be important intermediates which play a pivotal role in hydrocarbon combustion, particularly with regard to soot formation. Despite their fundamental importance, experimental data on the reaction mechanisms and reactivities of these species are very limited. For C{sub 6}H{sub 5}, most kinetic data except its reactions with NO and NO{sub 2}, were obtained by relative rate measurements. For C{sub 6}H{sub 5}O, the authors have earlier measured its fragmentation reaction producing C{sub 5}H{sub 5} + CO in shock waves. For C{sub 6}H{sub 4}, the only rate constant measured in the gas phase is its recombination rate at room temperature. The authors have proposed to investigate systematically the kinetics and mechanisms of this important class of molecules using two parallel laser diagnostic techniques--laser resonance absorption (LRA) and resonance enhanced multiphoton ionization mass spectrometry (REMPI/MS). In the past two years, study has been focused on the development of a new multipass adsorption technique--the {open_quotes}cavity-ring-down{close_quotes} technique for kinetic applications. The preliminary results of this study appear to be quite good and the sensitivity of the technique is at least comparable to that of the laser-induced fluorescence method.

  1. Multiple Higgs-Portal and Gauge-Kinetic Mixings

    E-Print Network [OSTI]

    S. Y. Choi; C. Englert; P. M. Zerwas

    2013-10-29

    We develop a phenomenological formalism for mixing effects between the Standard Model and hidden-sector fields, motivated by dark matter in the Universe as well as string theories. The scheme includes multiple Higgs-portal interactions in the scalar sector as well as multiple gauge-kinetic mixings in the abelian gauge sector. While some of the mixing effects can be cast in closed form, other elements can be controlled analytically only by means of perturbative expansions in the ratio of standard scales over large hidden scales. Higgs and vector-boson masses and mixings are illustrated numerically for characteristic processes.

  2. Microsecond Microfluidic Mixing for Investigation of Protein Folding Kinetics

    SciTech Connect (OSTI)

    Hertzog, D E; Santiago, J G; Bakajin, O

    2005-02-10

    We have developed and characterized a mixer to study the reaction kinetics of protein folding on a microsecond timescale. The mixer uses hydrodynamic focusing of pressure-driven flow in a microfluidic channel to reduce diffusion times as first demonstrated by Knight et al.[1]. Features of the mixer include 1 {micro}s mixing times, sample consumptions of order 1 nl/s, loading sample volumes on the order of microliters, and the ability to manufacture in fused silica for compatibility with most spectroscopic methods.

  3. A microfluidic device for investigating crystal nucleation kinetics

    E-Print Network [OSTI]

    Philippe Laval; Jean-Baptiste Salmon; Mathieu Joanicot

    2006-12-20

    We have developed an original setup using microfluidic tools allowing one to produce continuously monodisperse microreactors ($\\approx 100$ nL), and to control their temperatures as they flow in the microdevice. With a specific microchannels geometry, we are able to apply large temperature quenches to droplets containing a KNO$_3$ solution (up to 50$^{\\circ}$C in 10 s), and then to follow nucleation kinetics at high supersaturations. By measuring the probability of crystal presence in the droplets as a function of time, we estimate the nucleation rate for different supersaturations, and confront our results to the classical nucleation theory.

  4. Thermodynamic and kinetic control of the lateral Si wire growth

    SciTech Connect (OSTI)

    Dedyulin, Sergey N. Goncharova, Lyudmila V.

    2014-03-24

    Reproducible lateral Si wire growth has been realized on the Si (100) surface. In this paper, we present experimental evidence showing the unique role that carbon plays in initiating lateral growth of Si wires on a Si (100) substrate. Once initiated in the presence of ?5 ML of C, lateral growth can be achieved in the range of temperatures, T?=?450–650?°C, and further controlled by the interplay of the flux of incoming Si atoms with the size and areal density of Au droplets. Critical thermodynamic and kinetic aspects of the growth are discussed in detail.

  5. Anisotropic inflation with non-abelian gauge kinetic function

    SciTech Connect (OSTI)

    Murata, Keiju [DAMTP, University of Cambridge, Centre for Mathematical Sciences, Wilberforce Road, Cambridge CB3 0WA (United Kingdom); Soda, Jiro, E-mail: K.Murata@damtp.cam.ac.uk, E-mail: jiro@tap.scphys.kyoto-u.ac.jp [Department of Physics, Kyoto University, Kyoto, 606-8502 (Japan)

    2011-06-01

    We study an anisotropic inflation model with a gauge kinetic function for a non-abelian gauge field. We find that, in contrast to abelian models, the anisotropy can be either a prolate or an oblate type, which could lead to a different prediction from abelian models for the statistical anisotropy in the power spectrum of cosmological fluctuations. During a reheating phase, we find chaotic behaviour of the non-abelian gauge field which is caused by the nonlinear self-coupling of the gauge field. We compute a Lyapunov exponent of the chaos which turns out to be uncorrelated with the anisotropy.

  6. Kinetic Theory of Turbulent Multiphase Flow | The Ames Laboratory

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration would likeUniverseIMPACTThousand Cubic Feet) SoldDepartmentGOES-10PV GridPhase 1Kinetic

  7. Kinetic Monte Carlo simulation of strained heteroepitaxial growth with intermixing

    E-Print Network [OSTI]

    Baskaran, Arvind; Devita, Jason; Smereka, Peter

    2010-01-01

    of elastic energy differences using local updates of theof energy localization Given that the goal is to update theupdate the displacement ?eld and calculate the change in elastic energy

  8. MICL researchers are addressing energy at various levels of com-puting, from data centers (through near-threshold computing)

    E-Print Network [OSTI]

    Eustice, Ryan

    vehicles, wind energy, and kinetic energy stor- age. A particular focus of research is energy har- vesting with chal- lenges in low-power sensing inter- faces and energy-efficient on-sensor signal processing. AlsoEnergy MICL researchers are addressing energy at various levels of com- puting, from data centers

  9. A Coordinated Train Control Algorithm to Improve Regenerative Energy Receptivity in Metro Transit Systems

    E-Print Network [OSTI]

    Barkan, Christopher P.L.

    regenerative energy receptivity and energy savings in a bi-directional metro transit network, this paper formulates a coordinated train control algorithm based on genetic algorithm techniques. The energy saving is a braking mechanism that decelerates the vehicle by converting its kinetic energy into electric energy

  10. Vibrational-Rotational Energy Distributions in the Reaction O-+ D2 f OD + D-

    E-Print Network [OSTI]

    Farrar, James M.

    Vibrational-Rotational Energy Distributions in the Reaction O- + D2 f OD + D- Yue Li, Li Liu with a bimodal rotational energy distribution. At the higher collision energy, both V ) 0 and 1 products energy range up to 10 eV. By measuring the kinetic energy distribution of the detached electrons

  11. 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

  12. Development of a crash energy absorber 

    E-Print Network [OSTI]

    Bullard, Delbert Lance

    1995-01-01

    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...

  13. CATALYTIC OXIDATION OF S(IV) ON ACTIVATED CARBON IN AQUEOUS SUSPENSION: KINETICS AND MECHANISM

    E-Print Network [OSTI]

    Brodzinsky, Richard

    2012-01-01

    and Mechanism for the Catalytic Oxidation of Sulfur Dioxidekinetic study of the catalytic oxidation on carbon particlesthe kinetics of the catalytic oxidation of sulfur dioxide on

  14. Photo-oxidation of Ge Nanocrystals: Kinetic Measurements by In Situ Raman Spectroscopy

    E-Print Network [OSTI]

    2008-01-01

    Photo-oxidation of Ge Nanocrystals: Kinetic Measurements byrate enhancement is due to a photo-chemical process. Thenanocrystals can be rapidly photo-oxidized. This oxidation

  15. Shaping the composition profiles in heteroepitaxial quantum dots: Interplay of thermodynamic and kinetic effects

    SciTech Connect (OSTI)

    Georgiou, C.; Leontiou, T.; Kelires, P. C.

    2014-07-15

    Atomistic Monte Carlo simulations, coupling thermodynamic and kinetic effects, resolve a longstanding controversy regarding the origin of composition profiles in heteroepitaxial SiGe quantum dots. It is shown that profiles with cores rich in the unstrained (Si) component derive from near-equilibrium processes and intraisland diffusion. Profiles with cores rich in the strained (Ge) component are of nonequilibrium nature, i.e., they are strain driven but kinetically limited. They are shaped by the distribution of kinetic barriers of atomic diffusion in the islands. The diffusion pathways are clearly revealed for the first time. Geometrical kinetics play a minor role.

  16. PHASE-FIELD SIMULATION OF IRRADIATED METALS PART i: VOID KINETICS...

    Office of Scientific and Technical Information (OSTI)

    METALS PART i: VOID KINETICS We present a phase-field model of void formation and evolution in irradiated metals by spatially and temporally evolving vacancy and...

  17. KINETICS, CATALYSIS, AND REACTION ENGINEERING Staged O2 Introduction and Selective H2 Combustion during

    E-Print Network [OSTI]

    Iglesia, Enrique

    KINETICS, CATALYSIS, AND REACTION ENGINEERING Staged O2 Introduction and Selective H2 Combustion2 increased the selectivity of propane conversion to aromatics o

  18. Exploring Frontiers in Kinetics and Mechanisms of Geochemical Processes at the Mineral/Water Interface

    E-Print Network [OSTI]

    Sparks, Donald L.

    Exploring Frontiers in Kinetics and Mechanisms of Geochemical Processes at the Mineral geochemical processes including surface complexation, mineral transformations, and oxidation

  19. Esterification kinetics of triglycerides in n-hexane catalyzed by an immobilized lipase 

    E-Print Network [OSTI]

    Gomez Ruiz, Alejandro

    1998-01-01

    . The reaction was then run in a fixed bed flow reactor and the reactor performance was predicted using the batch reactor kinetics....

  20. Assessment of temperature gradients in multianvil assemblies using spinel layer growth kinetics

    E-Print Network [OSTI]

    van Westrenen, Wim

    Assessment of temperature gradients in multianvil assemblies using spinel layer growth kinetics Wim Geophysical Laboratory and Department of Terrestrial Magnetism, Carnegie Institution of Washington, 5241 Broad