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1

Integrated Dynamic Electron Solutions, Inc. | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Integrated Integrated Dynamic Electron Solutions, Inc. America's Next Top Energy Innovator Challenge 333 likes Integrated Dynamic Electron Solutions, Inc. Lawrence Livermore National Laboratory Dynamic Transmission Electron Microscopes DTEM reveal unprecedented details of the mechanisms underlying a host of nanoscale systems that are at the core of our current and future energy economy. A vast and growing number of materials utilized in the energy sector rely on nanostructured materials and their unique dynamic behaviors. DTEM offers researchers the ability to directly interrogate these materials at time and length scales that to-date have either been impossible to access or required the use of multi-billion dollar synchrotrons. DTEM will fundamentally change the approach to basic and applied research in the

2

Integrated Dynamic Electron Solutions, Inc. | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Integrated Integrated Dynamic Electron Solutions, Inc. America's Next Top Energy Innovator Challenge 333 likes Integrated Dynamic Electron Solutions, Inc. Lawrence Livermore National Laboratory Dynamic Transmission Electron Microscopes DTEM reveal unprecedented details of the mechanisms underlying a host of nanoscale systems that are at the core of our current and future energy economy. A vast and growing number of materials utilized in the energy sector rely on nanostructured materials and their unique dynamic behaviors. DTEM offers researchers the ability to directly interrogate these materials at time and length scales that to-date have either been impossible to access or required the use of multi-billion dollar synchrotrons. DTEM will fundamentally change the approach to basic and applied research in the

3

Integrated Dynamic Electron Solutions, Inc. | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Integrated Integrated Dynamic Electron Solutions, Inc. America's Next Top Energy Innovator Challenge 333 likes Integrated Dynamic Electron Solutions, Inc. Lawrence Livermore National Laboratory Dynamic Transmission Electron Microscopes DTEM reveal unprecedented details of the mechanisms underlying a host of nanoscale systems that are at the core of our current and future energy economy. A vast and growing number of materials utilized in the energy sector rely on nanostructured materials and their unique dynamic behaviors. DTEM offers researchers the ability to directly interrogate these materials at time and length scales that to-date have either been impossible to access or required the use of multi-billion dollar synchrotrons. DTEM will fundamentally change the approach to basic and applied research in the

4

Integrated Dynamic Electron Solutions, Inc. | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

TrakLok Corporation TrakLok Corporation Oak Ridge National Laboratory 463 likes TrakLok, Inc., based in Knoxville, Tenn., intends to use an Oak Ridge National Laboratory (ORNL)-developed, technology for tagging, tracking, locating and communicating with cargo containers and trailers in transit. The ORNL technology provides an avenue to meet increasing requirements for shipping containers to be "smart boxes" that can be tracked electronically. TrakLok uses GPS technology and satellite communications as part of its tracking and warning capability and international container locking technology to protect against container tampering, theft, vandalism and smuggling. Shipments can be tracked through a web-accessible, information technology-based global tracking system to provide real time visibility of

5

Nonadiabatic dynamics of electron transfer in solution: Explicit and implicit solvent treatments that include multiple relaxation time scales  

SciTech Connect

The development of efficient theoretical methods for describing electron transfer (ET) reactions in condensed phases is important for a variety of chemical and biological applications. Previously, dynamical dielectric continuum theory was used to derive Langevin equations for a single collective solvent coordinate describing ET in a polar solvent. In this theory, the parameters are directly related to the physical properties of the system and can be determined from experimental data or explicit molecular dynamics simulations. Herein, we combine these Langevin equations with surface hopping nonadiabatic dynamics methods to calculate the rate constants for thermal ET reactions in polar solvents for a wide range of electronic couplings and reaction free energies. Comparison of explicit and implicit solvent calculations illustrates that the mapping from explicit to implicit solvent models is valid even for solvents exhibiting complex relaxation behavior with multiple relaxation time scales and a short-time inertial response. The rate constants calculated for implicit solvent models with a single solvent relaxation time scale corresponding to water, acetonitrile, and methanol agree well with analytical theories in the Golden rule and solvent-controlled regimes, as well as in the intermediate regime. The implicit solvent models with two relaxation time scales are in qualitative agreement with the analytical theories but quantitatively overestimate the rate constants compared to these theories. Analysis of these simulations elucidates the importance of multiple relaxation time scales and the inertial component of the solvent response, as well as potential shortcomings of the analytical theories based on single time scale solvent relaxation models. This implicit solvent approach will enable the simulation of a wide range of ET reactions via the stochastic dynamics of a single collective solvent coordinate with parameters that are relevant to experimentally accessible systems.

Schwerdtfeger, Christine A.; Soudackov, Alexander V.; Hammes-Schiffer, Sharon, E-mail: shs3@illinois.edu [Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Avenue, Urbana, Illinois 61801 (United States)] [Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Avenue, Urbana, Illinois 61801 (United States)

2014-01-21T23:59:59.000Z

6

Ultrafast studies of solution dynamics  

SciTech Connect

This is the final report of a one-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). Fast chemical dynamics generally must be initiated photochemically. This limits the applicability of modern laser methods for following the structural changes that occur during chemical and biological reactions to those systems that have an electronic chromophore that has a significant yield of photoproduct when excited. This project has developed a new and entirely general approach to ultrafast initiation of reactions in solution: laser-induced temperature jump (T-jump). The results open entire new fields of study of ultrafast molecular dynamics in solution. The authors have demonstrated the T-jump technique on time scales of 50 ps and longer, and have applied it to study of the fast events in protein folding. They find that a general lifetime of alpha-helix formation is ca 100 ns, and that tertiary folds (in apomyoglobin) form in ca 100 {mu}s.

Woodruff, W.H.; Dyer, R.B. [Los Alamos National Lab., NM (United States); Callender, R.H. [City Univ. of New York, NY (United States). Dept. of Physics

1997-10-01T23:59:59.000Z

7

Electronic Spectroscopy & Dynamics  

SciTech Connect

The Gordon Research Conference (GRC) on Electronic Spectroscopy and Dynamics was held at Colby College, Waterville, NH from 07/19/2009 thru 07/24/2009. The Conference was well-attended with participants (attendees list attached). The attendees represented the spectrum of endeavor in this field coming from academia, industry, and government laboratories, both U.S. and foreign scientists, senior researchers, young investigators, and students. The GRC on Electronic Spectroscopy & Dynamics showcases some of the most recent experimental and theoretical developments in electronic spectroscopy that probes the structure and dynamics of isolated molecules, molecules embedded in clusters and condensed phases, and bulk materials. Electronic spectroscopy is an important tool in many fields of research, and this GRC brings together experts having diverse backgrounds in physics, chemistry, biophysics, and materials science, making the meeting an excellent opportunity for the interdisciplinary exchange of ideas and techniques. Topics covered in this GRC include high-resolution spectroscopy, biological molecules in the gas phase, electronic structure theory for excited states, multi-chromophore and single-molecule spectroscopies, and excited state dynamics in chemical and biological systems.

Mark Maroncelli, Nancy Ryan Gray

2010-06-08T23:59:59.000Z

8

Dynamic Transmission Electron Microscopy  

SciTech Connect

Dynamic transmission electron microscopy (DTEM) combines the benefits of high spatial resolution electron microscopy with the high temporal resolution of ultrafast lasers. The incorporation of these two components into a single instrument provides a perfect platform for in situ observations of material processes. However, previous DTEM applications have focused on observing structural changes occurring in samples exposed to high vacuum. Therefore, in order to expand the pump-probe experimental regime to more natural environmental conditions, in situ gas and liquid chambers must be coupled with Dynamic TEM. This chapter describes the current and future applications of in situ liquid DTEM to permit time-resolved atomic scale observations in an aqueous environment, Although this chapter focuses mostly on in situ liquid imaging, the same research potential exists for in situ gas experiments and the successful integration of these techniques promises new insights for understanding nanoparticle, catalyst and biological protein dynamics with unprecedented spatiotemporal resolution.

Evans, James E.; Jungjohann, K. L.; Browning, Nigel D.

2012-10-12T23:59:59.000Z

9

Fissile solution dynamics: Student research  

SciTech Connect

There are two research projects in criticality safety at the University of Arizona: one in dynamic simulation of hypothetical criticality accidents in fissile solutions, and one in criticality benchmarks using transport theory. We have used the data from nuclear excursions in KEWB, CRAC, and SILENE to help in building models for solution excursions. An equation of state for liquids containing gas bubbles has been developed and coupled to point-reactor dynamics in an attempt to predict fission rate, yield, pressure, and kinetic energy. It appears that radiolytic gas is unimportant until after the first peak, but that it does strongly affect the shape of the subsequent power decrease and also the dynamic pressure.

Hetrick, D.L.

1994-09-01T23:59:59.000Z

10

Dynamic imaging with electron microscopy  

ScienceCinema (OSTI)

Livermore researchers have perfected an electron microscope to study fast-evolving material processes and chemical reactions. By applying engineering, microscopy, and laser expertise to the decades-old technology of electron microscopy, the dynamic transmission electron microscope (DTEM) team has developed a technique that can capture images of phenomena that are both very small and very fast. DTEM uses a precisely timed laser pulse to achieve a short but intense electron beam for imaging. When synchronized with a dynamic event in the microscope's field of view, DTEM allows scientists to record and measure material changes in action. A new movie-mode capability, which earned a 2013 R&D 100 Award from R&D Magazine, uses up to nine laser pulses to sequentially capture fast, irreversible, even one-of-a-kind material changes at the nanometer scale. DTEM projects are advancing basic and applied materials research, including such areas as nanostructure growth, phase transformations, and chemical reactions.

Campbell, Geoffrey; McKeown, Joe; Santala, Melissa

2014-05-30T23:59:59.000Z

11

Dynamic imaging with electron microscopy  

SciTech Connect

Livermore researchers have perfected an electron microscope to study fast-evolving material processes and chemical reactions. By applying engineering, microscopy, and laser expertise to the decades-old technology of electron microscopy, the dynamic transmission electron microscope (DTEM) team has developed a technique that can capture images of phenomena that are both very small and very fast. DTEM uses a precisely timed laser pulse to achieve a short but intense electron beam for imaging. When synchronized with a dynamic event in the microscope's field of view, DTEM allows scientists to record and measure material changes in action. A new movie-mode capability, which earned a 2013 R&D 100 Award from R&D Magazine, uses up to nine laser pulses to sequentially capture fast, irreversible, even one-of-a-kind material changes at the nanometer scale. DTEM projects are advancing basic and applied materials research, including such areas as nanostructure growth, phase transformations, and chemical reactions.

Campbell, Geoffrey; McKeown, Joe; Santala, Melissa

2014-02-20T23:59:59.000Z

12

SciTech Connect: Hot electron dynamics in graphene  

NLE Websites -- All DOE Office Websites (Extended Search)

ThesisDissertation: Hot electron dynamics in graphene Citation Details In-Document Search Title: Hot electron dynamics in graphene Hot electron dynamics in graphene Graphene, a...

13

Low-Cost Solutions for Dynamic Window Material | Department of...  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Low-Cost Solutions for Dynamic Window Material Low-Cost Solutions for Dynamic Window Material Emerging Technologies Project for the 2013 Building Technologies Office's Program Peer...

14

Intermittent Single-Molecule Interfacial Electron Transfer Dynamics...  

NLE Websites -- All DOE Office Websites (Extended Search)

Intermittent Single-Molecule Interfacial Electron Transfer Dynamics. Intermittent Single-Molecule Interfacial Electron Transfer Dynamics. Abstract: We report on single molecule...

15

Organoactinide chemistry: synthesis, structure, and solution dynamics  

SciTech Connect

This thesis considers three aspects of organoactinide chemistry. In chapter one, a bidentate phosphine ligand was used to kinetically stabilize complexes of the type Cp/sub 2/MX/sub 2/. Ligand redistribution processes are present throughout the synthetic work, as has often been observed in uranium cyclopentadienyl chemistry. The effects of covalent M-L bonding on the solution and solid state properties of U(III) coordination complexes are considered. In particular, the nature of the more subtle interaction between the metal and the neutral ligand are examined. Using relative basicity data obtained in solution, and solid state structural data (and supplemented by gas phase photoelectron measurements), it is demonstrated that the more electron rich U(III) centers engage in significant U ..-->.. L ..pi..-donation. Trivalent uranium is shown to be capable of acting either as a one- or two-electron reducing agent toward a wide variety of unsaturated organic and inorganic molecules, generating molecular classes unobtainable via traditional synthetic approaches, as well as offering an alternative synthetic approach to molecules accessible via metathesis reactions. Ligand redistribution processes are again observed, but given the information concerning ligand lability, this reactivity pattern is applied to the synthesis of pure materials inaccessible from redox chemistry. 214 refs., 33 figs., 10 tabs.

Brennan, J.G.

1985-12-01T23:59:59.000Z

16

Brownian Dynamics Simulation of Protein Solutions: Structural and Dynamical Properties  

SciTech Connect

The study of solutions of biomacromolecules provides an important basis for understanding the behavior of many fundamental cellular processes, such as protein folding, self-assembly, biochemical reactions, and signal transduction. Here, we describe a Brownian dynamics simulation procedure and its validation for the study of the dynamic and structural properties of protein solutions. In the model used, the proteins are treated as atomically detailed rigid bodies moving in a continuum solvent. The protein-protein interaction forces are described by the sum of electrostatic interaction, electrostatic desolvation, nonpolar desolvation, and soft-core repulsion terms. The linearized Poisson-Boltzmann equation is solved to compute electrostatic terms. Simulations of homogeneous solutions of three different proteins with varying concentrations, pH, and ionic strength were performed. The results were compared to experimental data and theoretical values in terms of long-time self-diffusion coefficients, second virial coefficients, and structure factors. The results agree with the experimental trends and, in many cases, experimental values are reproduced quantitatively. There are no parameters specific to certain protein types in the interaction model, and hence the model should be applicable to the simulation of the behavior of mixtures of macromolecules in cell-like crowded environments.

Mereghetti, Paolo; Gabdoulline, Razif; Wade, Rebecca C.

2010-12-01T23:59:59.000Z

17

Electronic forms solutions To support your business objectives  

E-Print Network (OSTI)

Electronic forms solutions To support your business objectives Easily integrate your offline forms are using electronic forms instead of paper, so that their existing forms are always in stock, easy to locate and have a consistent look and feel. IBM® Lotus® Forms software provides an open electronic forms

18

VERIFIABLE ELECTRONIC VOTING SYSTEM: AN OPEN SOURCE SOLUTION  

E-Print Network (OSTI)

VERIFIABLE ELECTRONIC VOTING SYSTEM: AN OPEN SOURCE SOLUTION Halina Kaminski* and Mark Perry over existing network system. KEY WORDS Free Libre Open Source Software; Electronic Voting; Security in managing the election process through the use of electronic voting systems. While computer scientists

Perry, Mark

19

Molecular dynamics simulations of osmosis and reverse osmosis in solutions  

Science Journals Connector (OSTI)

Computer simulation studies using the method of molecular dynamics have been carried out to investigate osmosis and reverse osmosis in solutions separated by semi-permeable membranes....

S. Murad

1996-01-01T23:59:59.000Z

20

Bistable solutions for the electron energy distribution function in electron swarms in xenon via Boltzmann equation analysis and particle simulations  

E-Print Network (OSTI)

At low reduced electric fields the electron energy distribution function in heavy noble gases can take two distinct shapes. This bistability effect - in which electron-electron (Coulomb) collisions play an essential role - is analyzed here with a Boltzmann equation approach and with a first principles particle simulation method. The latter is based on a combination of a molecular dynamics technique that accounts for the many-body interaction within the electron gas and a Monte Carlo treatment of the collisions between electrons and the background gas atoms. The good agreement found between the results of the two techniques confirms the existence of the two different stable solutions for the EEDF under swarm conditions at low electric fields.

Dyatko, Nikolay

2015-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "dynamic electron solutions" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


21

Electronic and Magnetization Dynamics of Cobalt Substituted Iron Oxide Nanocrystals  

E-Print Network (OSTI)

4.3 Electronic Structures of Inverse Spinel Fe 3 O 4 Nanocrystals ... 62 4.4 Electronic Dynamics of Photoexcited Colloidal Fe 3 O 4 Nanocrystals... 4.3 Electronic Structures of Inverse Spinel Fe 3 O 4 Nanocrystals ... 62 4.4 Electronic Dynamics of Photoexcited Colloidal Fe 3 O 4 Nanocrystals...

Chen, Tai-Yen

2011-02-22T23:59:59.000Z

22

Low-Cost Solutions for Dynamic Window Material  

NLE Websites -- All DOE Office Websites (Extended Search)

Low-cost Solutions For Dynamic Low-cost Solutions For Dynamic Window Materials André Anders Lawrence Berkeley National Laboratory aanders@lbl.gov 510-486-6745 April 4, 2013 AZO: transparent and conducting 2 | Program Name or Ancillary Text eere.energy.gov BTO Program Peer Review Low-cost Solutions For Dynamic Window Materials André Anders Lawrence Berkeley National Laboratory aanders@lbl.gov 510-486-6745 April 4, 2013 Task 1: Reduce cost of transparent conducting oxide (TCO) for electrochromic windows, * started in FY11 * Applicable to existing technology of electrochromic window and other applications Task 2: Produce films of oxide nanocrystals relevant to dynamic windows by terminated cluster growth, * started in FY 13

23

Low-Cost Solutions for Dynamic Window Material  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Low-cost Solutions For Dynamic Low-cost Solutions For Dynamic Window Materials André Anders Lawrence Berkeley National Laboratory aanders@lbl.gov 510-486-6745 April 4, 2013 AZO: transparent and conducting 2 | Program Name or Ancillary Text eere.energy.gov BTO Program Peer Review Low-cost Solutions For Dynamic Window Materials André Anders Lawrence Berkeley National Laboratory aanders@lbl.gov 510-486-6745 April 4, 2013 Task 1: Reduce cost of transparent conducting oxide (TCO) for electrochromic windows, * started in FY11 * Applicable to existing technology of electrochromic window and other applications Task 2: Produce films of oxide nanocrystals relevant to dynamic windows by terminated cluster growth, * started in FY 13

24

Electron Spin Resonance in Metals and Metal-Ammonia Solutions  

Science Journals Connector (OSTI)

Electron spin resonance measurements have been made at 300 Mc/sec on frozen metal ammonia solutions, liquid metal ammonia solutions, and liquid metals. The experiments on frozen solutions have shown that the metal is precipitated out in small particles. Nuclear resonance experiments have corroborated this finding. The frozen solutions are used as a convenient source of small particles, and observations have been made of relaxation times in Na, Li, K, and Cs. Resonances in the liquid ammonia solutions of Li, Na, K, Rb, Cs, and Ca, and also in a solution of Li in methylamine were observed. The data are consistent with the theoretical model of Kraus, Ogg, and Kaplan and Kittel. Bulk metal resonances were observed to temperatures above the melting points on lithium and sodium. The results for sodium corroborate the Elliott theory of relaxation, and the lithium results indicate resistivity-dependent relaxation time. No resonance was observed in bulk K, Rb, and Cs carried to temperatures above their melting points.

R. A. Levy

1956-04-01T23:59:59.000Z

25

Dynamic behavior of ion acoustic waves in electron-positron-ion magnetoplasmas with superthermal electrons and positrons  

SciTech Connect

The dynamic behavior of ion acoustic waves in electron-positron-ion magnetoplasmas with superthermal electrons and positrons has been investigated in the framework of perturbed and non-perturbed Kadomtsev-Petviashili (KP) equations. Applying the reductive perturbation technique, we have derived the KP equation in electron-positron-ion magnetoplasma with kappa distributed electrons and positrons. Bifurcations of ion acoustic traveling waves of the KP equation are presented. Using the bifurcation theory of planar dynamical systems, the existence of the solitary wave solutions and the periodic traveling wave solutions has been established. Two exact solutions of these waves have been derived depending on the system parameters. Then, using the Hirota's direct method, we have obtained two-soliton and three-soliton solutions of the KP equation. The effect of the spectral index ? on propagations of the two-soliton and the three-soliton has been shown. Considering an external periodic perturbation, we have presented the quasi periodic behavior of ion acoustic waves in electron-positron-ion magnetoplasmas.

Saha, Asit, E-mail: asit-saha123@rediffmail.com, E-mail: prasantachatterjee1@rediffmail.com [Department of Mathematics, Sikkim Manipal Institute of Technology, Majitar, Rangpo, East-Sikkim 737136 (India); Department of Mathematics, Siksha Bhavana, Visva Bharati University, Santiniketan-731235 (India); Pal, Nikhil; Chatterjee, Prasanta, E-mail: asit-saha123@rediffmail.com, E-mail: prasantachatterjee1@rediffmail.com [Department of Mathematics, Siksha Bhavana, Visva Bharati University, Santiniketan-731235 (India)

2014-10-15T23:59:59.000Z

26

Nonlinear Dynamics of Electron Cyclotron Heated Plasmas  

Science Journals Connector (OSTI)

Plasmas that are generated and sustained by electron cyclotron heating (ECH) have been studies experimentally and...

G. E. Guest

1993-01-01T23:59:59.000Z

27

Multi-basin dynamics of a protein in aqueous solution  

SciTech Connect

A molecular dynamics simulation of crambin in aqueous solution shows that motions are characteristic of non-linear systems. The authors describe typical non-linear excitations, such as intermittency, for various representations of the protein dynamics and structure. The protein backbone dihedral angles show fast correlated transitions from one minimum well to another. Each transition is followed by small overdamped oscillations. Equal-time cross correlations of all ({phi},{psi}) angles show that correlations are extended along the backbone chain. An analysis based on a generalized least squares fitting of the protein fluctuations along vectors show that a small set of molecule optimal dynamic coordinates (MODC) describe most of the protein fluctuations. In addition, the MODC describe a trajectory where the protein conformation jumps from one minimum well to another. An extension of the MODC describing 2- and 3-dimensional cuts of the protein configurational space clearly shows a trajectory around multiple basins of attraction.

Garcia, A.E. [Los Alamos National Lab., NM (United States). Theoretical Biology and Biophysics Group

1994-10-01T23:59:59.000Z

28

Single Molecule Electron Transfer Dynamics in Complex Environments  

Science Journals Connector (OSTI)

We propose a new theoretical approach to study the kinetics of the electron transfer (ET) under the dynamical influence of the complex environments with the first passage times (FPT) of the reaction events. By measuring the mean and high order moments of FPT and their ratios, the full kinetics of ET, especially the dynamical transitions across different temperature zones, is revealed. The potential applications of the current results to single molecule electron transfer are discussed.

Vitor B. P. Leite; Luciana C. P. Alonso; Marshall Newton; Jin Wang

2005-09-08T23:59:59.000Z

29

Structure and dynamics of aqueous solution of uranyl ions  

SciTech Connect

The present work describes a molecular dynamics simulation study of structure and dynamics of aqueous solution of uranyl ions in water. Structural properties of the system in terms of radial distribution functions and dynamical characteristics as obtained through velocity autocorrelation function and mean square displacements have been analyzed. The results for radial distribution functions show the oxygen of water to form the first solvation shell at 2.4 around the uranium atom, whereas the hydrogen atoms of water are distributed around the uranium atom with the major peak at around 3.0 . Analyses of transport behaviors of ions and water through MSD indicates that the diffusion of the uranyl ion is much less as compared to that of the water molecules. It is also observed that the dynamical behavior of water molecules gets modified due to the presence of uranyl ion. The effect of increase in concentration of uranyl ions on the structure and dynamics of water molecules is also studied.

Chopra, Manish [Radiation Safety Systems Division, Bhabha Atomic Research Centre, Mumbai-400085 (India); Choudhury, Niharendu, E-mail: nihcho@barc.gov.in [Theoretical Chemistry Section, Bhabha Atomic Research Centre, Mumbai-400085 (India)

2014-04-24T23:59:59.000Z

30

A Comparison of Electron-Transfer Dynamics in Ionic Liquids and Neutral  

NLE Websites -- All DOE Office Websites (Extended Search)

Electron-Transfer Dynamics in Ionic Liquids and Neutral Electron-Transfer Dynamics in Ionic Liquids and Neutral Solvents Heather Y. Lee, Joseph B. Issa, Stephan S. Isied, Edward W. Castner, Jr., Yunfeng Pan, Charles L. Hussey, Kwang Soon Lee, and James F. Wishart J. Phys. Chem. C 116, 5197-5208 (2012). [Find paper at ACS Publications] or use ACS Articles on Request. Abstract: The effect of ionic liquids on photoinduced electron-transfer reactions in a donor-bridge-acceptor system is examined for two ionic liquid solvents, 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)amide and tributylmethylammonium bis(trifluoromethyl¬sulfonyl)¬amide. The results are compared with those for the same system in methanol and acetonitrile solution. Electron-transfer rates were measured using time-resolved fluorescence quenching for the donor-bridge-acceptor system comprising a

31

Controlling attosecond electron dynamics by phase-stabilized polarization gating  

E-Print Network (OSTI)

LETTERS Controlling attosecond electron dynamics by phase-stabilized polarization gating I. J. SOLA the signature of a single return of the electron wavepacket over a large range of energies. This temporally (low energy) and cut-off (high energy) harmonics, specific focusing conditions ensure that only

Loss, Daniel

32

Molecular Dynamics Simulations of Solutions at Constant Chemical Potential  

E-Print Network (OSTI)

Molecular Dynamics studies of chemical processes in solution are of great value in a wide spectrum of applications, that range from nano-technology to pharmaceutical chemistry. However, these calculations are affected by severe finite-size effects, such as the solution being depleted as the chemical process proceeds, that influence the outcome of the simulations. To overcome these limitations, one must allow the system to exchange molecules with a macroscopic reservoir, thus sampling a Grand-Canonical ensemble. Despite the fact that different remedies have been proposed, this still represents a key challenge in molecular simulations. In the present work we propose the C$\\mu$MD method, which introduces an external force that controls the environment of the chemical process of interest. This external force, drawing molecules from a finite reservoir, maintains the chemical potential constant in the region where the process takes place. We have applied the C$\\mu$MD method to the paradigmatic case of urea crystall...

Perego, Claudio; Parrinello, Michele

2015-01-01T23:59:59.000Z

33

CarParrinello Molecular Dynamics Simulations of CaCl2 Aqueous Solutions  

Science Journals Connector (OSTI)

(24, 25) Such ab initio molecular orbital calculations, performed at the restricted HartreeFock (HF) and second-order M?llerPlesset perturbation (MP2) levels of theory and followed by natural energy decomposition analysis, emphasized the importance of polarization effects in the binding energies of M2+(H2O)n clusters. ... It shows a maximum at 3.35 D, due to the electron polarization caused by the strong electric field of the ion. ... Solution Structure of Energy Stored System I: Aqua-B(OH)4: A DFT, CarParrinello Molecular Dynamics, and Raman Study ...

Teodora Todorova; Philippe H. Hnenberger; Jrg Hutter

2008-04-15T23:59:59.000Z

34

Electron Dynamics in Nanostructures in Strong Laser Fields  

SciTech Connect

The goal of our research was to gain deeper insight into the collective electron dynamics in nanosystems in strong, ultrashort laser fields. The laser field strengths will be strong enough to extract and accelerate electrons from the nanoparticles and to transiently modify the materials electronic properties. We aimed to observe, with sub-cycle resolution reaching the attosecond time domain, how collective electronic excitations in nanoparticles are formed, how the strong field influences the optical and electrical properties of the nanomaterial, and how the excitations in the presence of strong fields decay.

Kling, Matthias

2014-09-11T23:59:59.000Z

35

Ultrafast dynamics of electrons at interfaces  

SciTech Connect

Electronic states of a thin layer of material on a surface possess unique physical and chemical properties. Some of these properties arise from the reduced dimensionality of the thin layer with respect to the bulk or the properties of the electric field where two materials of differing dielectric constants meet at an interface. Other properties are related to the nature of the surface chemical bond. Here, the properties of excess electrons in thin layers of Xenon, Krypton, and alkali metals are investigated, and the bound state energies and effective masses of the excess electrons are determined using two-photon photoemission. For Xenon, the dependence of bound state energy, effective mass, and lifetime on layer thickness from one to nine layers is examined. Not all quantities were measured at each coverage. The two photon photoemission spectra of thin layers of Xenon on a Ag(111) substrate exhibit a number of sharp, well-defined peaks. The binding energy of the excess electronic states of Xenon layers exhibited a pronounced dependence on coverage. A discrete energy shift was observed for each additional atomic layer. At low coverage, a series of states resembling a Rydberg series is observed. This series is similar to the image state series observed on clean metal surfaces. Deviations from image state energies can be described in terms of the dielectric constant of the overlayer material and its effect on the image potential. For thicker layers of Xe (beyond the first few atomic layers), the coverage dependence of the features begins to resemble that of quantum well states. Quantum well states are related to bulk band states. However, the finite thickness of the layer restricts the perpendicular wavevector to a discrete set of values. Therefore, the spectrum of quantum well states contains a series of peaks which correspond to the various allowed values of the perpendicular wavevector. Analysis of the quantum well spectrum yields electronic band structure information. In this case, the quantum well states examined are derived from the Xenon conduction band. Measurements of the energies as a function of coverage yield the dispersion along the axis perpendicular to the surface while angle-resolved two-photon photoemission measurements yield information about dispersion along the surface parallel. The relative importance of the image potential and the overlayer band structure also depends on the quantum number and energy of the state. Some members of the image series may have an energy which is in an energy gap of the layer material, therefore such states may tend to remain physically outside the layer and retain much of their image character even at higher coverages. This is the case for the n = 1 image state of the Xe/Ag(111) system. The energies of image states which are excluded from the layer have a complex dependence on the thickness of the layer and its dielectric constant. The population decay kinetics of excited electronic states of the layer were also determined. Lifetimes are reported for the first three excited states for 1-6 atomic layers of Xe on Ag(111). As the image states evolve into quantum well states with increasing coverage, the lifetimes undergo an oscillation which marks a change in the spatial extent of the state. For example, the n = 2 quantum well state decreases substantially at 3-5 layers as the electron probability density in the layer increases. The lifetime data are modeled by extending the two-band nearly-free-electron approximation to account for the insulating Xe layer.

McNeill, Jason D.

1999-05-03T23:59:59.000Z

36

Neutrino-electron scattering and the choice between different MSW solutions of the solar neutrino problem  

SciTech Connect

We consider the scattering of solar neutrinos by electrons as a means for distinguishing between MSW solutions of the solar neutrino problem. In terms of the ratio R between the observed cross-section and that for pure electron-type neutrinos, we find that some correlation between the value R and the appropriate solution. 9 refs., 3 figs.

Rosen, S.P.; Gelb, J.M.

1987-01-01T23:59:59.000Z

37

Stratified Rotating Boussinesq Equations in Geophysical Fluid Dynamics: Dynamic Bifurcation and Periodic Solutions  

E-Print Network (OSTI)

The main objective of this article is to study the dynamics of the stratified rotating Boussinesq equations, which are a basic model in geophysical fluid dynamics. First, for the case where the Prandtl number is greater than one, a complete stability and bifurcation analysis near the first critical Rayleigh number is carried out. Second, for the case where the Prandtl number is smaller than one, the onset of the Hopf bifurcation near the first critical Rayleigh number is established, leading to the existence of nontrivial periodic solutions. The analysis is based on a newly developed bifurcation and stability theory for nonlinear dynamical systems (both finite and infinite dimensional) by two of the authors [16].

Chun-Hsiung Hsia; Tian Ma; Shouhong Wang

2006-10-31T23:59:59.000Z

38

Integrating Security Solutions to Support nanoCMOS Electronics Research .  

E-Print Network (OSTI)

??The UK Engineering and Physical Sciences Research Council (EPSRC) funded Meeting the Design Challenges of nanoCMOS Electronics (nanoCMOS) is developing a research infrastructure for collaborative (more)

SINNOTT, RICHARD

2008-01-01T23:59:59.000Z

39

Integrated Dynamic Electron Solutions, Inc. | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

7AC Technologies, Inc. 7AC Technologies, Inc. National Renewable Energy Laboratory 498 likes 7AC Technologies, based in Woburn, Massachusetts, is developing Liquid Desiccant HVAC systems for Commercial and Industrial buildings using technology from the National Renewable Energy Laboratory. These Liquid Desiccant HVAC systems deliver a 50 to 75 percent reduction in energy usage over conventional HVAC units. The system consists of a membrane conditioner responsible for drying and cooling the air and a heat-driven regenerator. The liquid desiccant design allows for the utilization of solar or waste heat sources, paving the way for net-zero energy retrofits to existing buildings with costs comparable to conventional HVAC. Learn More Borla Performance Industries, Inc. Oak Ridge National Laboratory

40

Integrated Dynamic Electron Solutions, Inc. | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Element One, Inc. Element One, Inc. National Renewable Energy Laboratory 191524 likes Element One, based in Boulder, Colorado, has created the only available coatings that change color when detecting hydrogen and other hazardous gas leaks, either reversibly or non-reversibly, to provide both current and historical information about leaks. Element One's patented gas indicators and sensors use catalyzed thin films or nanoparticles of a transition metal oxide to create very low cost sensors for use in industrial and consumer environments, greatly reducing the potential for undetected leaks and their cost and safety implications. This technology is also being integrated for use in refineries, industry gas and fuel cells systems and was developed using technology from the National Renewable Energy Laboratory.

Note: This page contains sample records for the topic "dynamic electron solutions" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


41

RIS probed dynamical effects in two-electron barium atom  

SciTech Connect

We present for Ba Nsnl planetary states an energy level analysis in order to yield values for the Ba{sup +} Ns core polarizabilities. The parametrized effective dipole and quadrupole values extracted from our data for N=7-10 are compared to calculated ones using a static model. Dipole polarizabilities show very close similarities with static values and at the opposite quadrupole polarizabilities exhibit larger discrepancies. These give evidence of non-adiabatic effects between the two asymmetrically excited electrons which are attributed to the increasing strength of dynamical effects on the Ns electron caused by the motion of the outer nl one.

Camus, Pierre; Cohen, Samuel [Laboratoire Aime Cotton, Centre National de la Recherche Scientifique II, Batiment 505, Campus d'Orsay, 91405 Orsay Cedex (France)

1995-04-01T23:59:59.000Z

42

Solution to Submit Large Electronic Proposal Files Principal Investigator and Departmental Staff Procedures  

E-Print Network (OSTI)

Procedures Sponsored Projects Administration (SPA) now has a solution for large electronic proposal files Submission folder. They can only upload files. 9. Follow the normal procedures to advise SPA to submit the sponsor's procedures. #12;

Janssen, Michel

43

New analytical solutions for dust acoustic solitary and periodic waves in an unmagnetized dusty plasma with kappa distributed electrons and ions  

SciTech Connect

Dust acoustic solitary waves and periodic waves in an unmagnetized dusty plasma with kappa distributed electrons and ions are investigated through non-perturbative approach. Basic equations are reduced to a system of ordinary differential equations involving electrostatic potential. After that by applying the bifurcation theory of planar dynamical systems to this system, we have studied the existence of solitary wave solutions and periodic wave solutions. New analytical solutions for the above waves are derived depending on the parametric space. Regarding the solitary and periodic wave solutions, the combined effects of temperature ratio (?) of ions and electrons, spectral index (?) and density ratio (p) are studied on characteristics of dust acoustic (DA) solitary waves and periodic waves. The spectral index (?), density ratio (p) of ions and electrons and temperature ratio (?) significantly influence the characteristics of dust acoustic solitary and periodic structures.

Saha, Asit, E-mail: asit-saha123@rediffmail.com [Department of Mathematics, Sikkim Manipal Institute of Technology, Majitar, Rangpo, East-Sikkim 737136 (India) [Department of Mathematics, Sikkim Manipal Institute of Technology, Majitar, Rangpo, East-Sikkim 737136 (India); Department of Mathematics, Siksha Bhavana, Visva Bharati University, Santiniketan-731235 (India); Chatterjee, Prasanta, E-mail: prasantachatterjee1@rediffmail.com [Department of Mathematics, Siksha Bhavana, Visva Bharati University, Santiniketan-731235 (India)] [Department of Mathematics, Siksha Bhavana, Visva Bharati University, Santiniketan-731235 (India)

2014-02-15T23:59:59.000Z

44

Electronic Structure of Hemin in Solution Studied by Resonant X-ray Emission Spectroscopy and Electronic Structure Calculations  

Science Journals Connector (OSTI)

Electronic Structure of Hemin in Solution Studied by Resonant X-ray Emission Spectroscopy and Electronic Structure Calculations ... (20) Transition energies and moments for L-edges were calculated with DFT/ROCIS using the same basis set. ... Character of MOs of the Single-Point DFT Calculations Illustrating the Mixing of the Iron d-Orbitals in FePPIX Chloride As Inferred from Restricted Open-Shell Single-Point DFT Calculation, Combined with Lwdin Population Analysis ...

Kaan Atak; Ronny Golnak; Jie Xiao; Edlira Suljoti; Mika Pflger; Tim Brandenburg; Bernd Winter; Emad F. Aziz

2014-07-28T23:59:59.000Z

45

Hydrogen Bond Dynamics of Histamine Monocation in Aqueous Solution: CarParrinello Molecular Dynamics and Vibrational Spectroscopy Study  

Science Journals Connector (OSTI)

Hydrogen Bond Dynamics of Histamine Monocation in Aqueous Solution: CarParrinello Molecular Dynamics and Vibrational Spectroscopy Study ... Our focus was on the part of vibrational spectra that corresponds to histamine NH stretching, since these degrees of freedom are essential for its interactions with either water molecules or transporters and receptors. ... The resulting vibrational power spectrum is presented in Figure 9. ...

Jernej Stare; Janez Mavri; Joe Grdadolnik; Jernej Zidar; Zvonimir B. Maksi?; Robert Vianello

2011-04-25T23:59:59.000Z

46

Multiconfiguration time-dependent Hartree-Fock treatment of electronic and nuclear dynamics in diatomic molecules  

SciTech Connect

The multiconfiguration time-dependent Hartree-Fock (MCTDHF) method is formulated for treating the coupled electronic and nuclear dynamics of diatomic molecules without the Born-Oppenheimer approximation. The method treats the full dimensionality of the electronic motion, uses no model interactions, and is in principle capable of an exact nonrelativistic description of diatomics in electromagnetic fields. An expansion of the wave function in terms of configurations of orbitals whose dependence on internuclear distance is only that provided by the underlying prolate spheroidal coordinate system is demonstrated to provide the key simplifications of the working equations that allow their practical solution. Photoionization cross sections are also computed from the MCTDHF wave function in calculations using short pulses.

Haxton, D. J.; Lawler, K. V. [Chemical Sciences and Ultrafast X-ray Science Laboratory, Lawrence Berkeley National Laboratory, Berkeley, California, 94720 (United States); McCurdy, C. W. [Chemical Sciences and Ultrafast X-ray Science Laboratory, Lawrence Berkeley National Laboratory, Berkeley, California, 94720 (United States); Departments of Applied Science and Chemistry, Davis, California, 95616 (United States)

2011-06-15T23:59:59.000Z

47

Effect of molecular solutes on the electron drift velocity in liquid Ar, Kr, and Xe  

Science Journals Connector (OSTI)

Measurements of the electron drift velocity in liquid argon, krypton, and xenon were performed in an electric field up to 100 kV cm-1. At higher field strengths saturation velocities were observed in agreement with other authors. The addition of a small concentration of molecular solutes leads to an increase of the electron drift velocity above the saturation value of the pure liquid. The drift velocity either reaches a higher constant value or passes through a maximum at field strengths greater than 104 V cm-1. This effect was investigated as a function of solute concentration for N2, H2, methane, ethane, propane, and butane. Inelastic energy losses in collisions of electrons and solute molecules are assumed and by means of the Cohen-Lekner theory the energy dependence of the loss processes is derived.

K. Yoshino; U. Sowada; W. F. Schmidt

1976-07-01T23:59:59.000Z

48

Numerical solution of gravitational dynamics in asymptotically anti-de Sitter spacetimes  

E-Print Network (OSTI)

A variety of gravitational dynamics problems in asymptotically anti-de Sitter (AdS) spacetime are amenable to efficient numerical solution using a common approach involving a null slicing of spacetime based on infalling ...

Chesler, Paul M.

49

Dynamics of Low Energy Electron Attachment to Formic Acid  

E-Print Network (OSTI)

carried out electronic structure calculations on the neutralFig. 4). Electronic structure calculations produce adiabatic

Rescigno, Thomas N.; Trevisan, Cynthia S.; Orel, Ann E.

2006-01-01T23:59:59.000Z

50

Dynamics of excess electrons in atomic and molecular clusters  

E-Print Network (OSTI)

gain a fundamental understanding of the electronic processesa fundamental change in the aggregated electronic structure

Young, Ryan Michael

2011-01-01T23:59:59.000Z

51

Charge constrained density functional molecular dynamics for simulation of condensed phase electron transfer reactions  

SciTech Connect

We present a plane-wave basis set implementation of charge constrained density functional molecular dynamics (CDFT-MD) for simulation of electron transfer reactions in condensed phase systems. Following the earlier work of Wu and Van Voorhis [Phys. Rev. A 72, 024502 (2005)], the density functional is minimized under the constraint that the charge difference between donor and acceptor is equal to a given value. The classical ion dynamics is propagated on the Born-Oppenheimer surface of the charge constrained state. We investigate the dependence of the constrained energy and of the energy gap on the definition of the charge and present expressions for the constraint forces. The method is applied to the Ru{sup 2+}-Ru{sup 3+} electron self-exchange reaction in aqueous solution. Sampling the vertical energy gap along CDFT-MD trajectories and correcting for finite size effects, a reorganization free energy of 1.6 eV is obtained. This is 0.1-0.2 eV lower than a previous estimate based on a continuum model for solvation. The smaller value for the reorganization free energy can be explained by the fact that the Ru-O distances of the divalent and trivalent Ru hexahydrates are predicted to be more similar in the electron transfer complex than for the separated aqua ions.

Oberhofer, Harald; Blumberger, Jochen [Department of Chemistry, University of Cambridge, Cambridge CB2 1EW (United Kingdom)

2009-08-14T23:59:59.000Z

52

Dynamical thickening transition in plate coating with concentrated surfactant solutions  

E-Print Network (OSTI)

We present a large range of experimental data concerning the influence of surfactants on the well-known Landau-Levich-Derjaguin experiment where a liquid film is generated by pulling a solid plate out of a bath. The thickness h of the film was measured as a function of the pulling velocity V for different kind of surfactant and at various concentrations. Measuring the thickening factor $\\alpha=h/h_{LLD}$, where hLLD is obtained for a pure liquid, in a wide range of capillary ($Ca=\\eta V/\\gamma$), two regimes of constant thickening can be identified: at small capillary number, $\\alpha$ is large due to a confinement and surface elasticity (or Marangoni) effects and at large Ca, $\\alpha$ is slightly higher than unity, due to surface viscous effects. At intermediate Ca, $\\alpha$ decreases as Ca increases along a "dynamic transition". In the case of non-ionic surfactants, the dynamic transition occurs at a fixed Ca, independently of the surfactant concentration, while for ionic surfactants, the dynamic transition depends on the concentration due to the existence of an electrostatic barrier. The control of physico-chemical parameters allowed us to elucidate the nature of the dynamic transition and to relate it to surface rheology.

Jrme Delacotte; Lorraine Montel; Frdric Restagno; Benot Scheid; Benjamin Dollet; Howard A. Stone; Dominique Langevin; Emmanuelle Rio

2011-06-10T23:59:59.000Z

53

Dynamics of excess electrons in atomic and molecular clusters  

E-Print Network (OSTI)

with complementary electronic structure calculations andand improved electronic structure calculations. In addition,cavity. Recent electronic structure calculations 20, 22 on

Young, Ryan Michael

2011-01-01T23:59:59.000Z

54

Monitoring attosecond dynamics of coherent electron-nuclear wave packets by molecular high-order-harmonic generation  

SciTech Connect

A pump-probe scheme for preparing and monitoring electron-nuclear motion in a dissociative coherent electron-nuclear wave packet is explored from numerical solutions of a non-Born-Oppenheimer time-dependent Schroedinger equation. A mid-ir intense few-cycle probe pulse is used to generate molecular high-order-harmonic generation (MHOHG) from a coherent superposition of two or more dissociative coherent electronic-nuclear wave packets, prepared by a femtosecond uv pump pulse. Varying the time delay between the intense ir probe pulse and the uv pump pulse by a few hundreds of attoseconds, the MHOHG signal intensity is shown to vary by orders of magnitude, thus showing the high sensitivity to electron-nuclear dynamics in coherent electron-nuclear wave packets. We relate this high sensitivity of MHOHG spectra to opposing electron velocities (fluxes) in the electron wave packets of the recombining (recolliding) ionized electron and of the bound electron in the initial coherent superposition of two electronic states.

Bredtmann, Timm [Laboratoire de Chimie Theorique, Faculte des Sciences, Universite de Sherbrooke, Sherbrooke, Quebec, J1K 2R1 (Canada); Institut fuer Chemie und Biochemie, Freie Universitaet Berlin, Takustrasse 3, D-14195 Berlin (Germany); Chelkowski, Szczepan; Bandrauk, Andre D. [Laboratoire de Chimie Theorique, Faculte des Sciences, Universite de Sherbrooke, Sherbrooke, Quebec, J1K 2R1 (Canada)

2011-08-15T23:59:59.000Z

55

Dynamics of a nanodroplet under a transmission electron microscope  

SciTech Connect

We investigate the cyclical stick-slip motion of water nanodroplets on a hydrophilic substrate viewed with and stimulated by a transmission electron microscope. Using a continuum long wave theory, we show how the electrostatic stress imposed by non-uniform charge distribution causes a pinned convex drop to deform into a toroidal shape, with the shape characterized by the competition between the electrostatic stress and the surface tension of the drop, as well as the charge density distribution which follows a Poisson equation. A horizontal gradient in the charge density creates a lateral driving force, which when sufficiently large, overcomes the pinning induced by surface heterogeneities in the substrate disjoining pressure, causing the drop to slide on the substrate via a cyclical stick-slip motion. Our model predicts step-like dynamics in drop displacement and surface area jumps, qualitatively consistent with experimental observations.

Leong, Fong Yew, E-mail: leongfy@ihpc.a-star.edu.sg [A-STAR Institute of High Performance Computing, 1 Fusionopolis Way, Connexis, Singapore 138632 (Singapore); Mirsaidov, Utkur M. [Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore 117551 (Singapore); Center for BioImaging Sciences, National University of Singapore, Science Drive 4, Singapore 117543 (Singapore); Matsudaira, Paul [Center for BioImaging Sciences, National University of Singapore, Science Drive 4, Singapore 117543 (Singapore); MechanoBiology Institute, National University of Singapore, 5A Engineering Drive 1, Singapore 117411 (Singapore); Department of Biological Sciences, National University of Singapore, 14 Science Drive 4, Singapore 117543 (Singapore); Singapore-MIT Alliance for Research and Technology Center, Science Drive 2, Singapore 117543 (Singapore); Mahadevan, L. [School of Engineering and Applied Sciences, Harvard University, Cambridge, Massachusetts 02138, USA and Department of Physics, Harvard University, Cambridge, Massachusetts 02138 (United States)

2014-01-15T23:59:59.000Z

56

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

SciTech Connect

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

Egorov, E. N., E-mail: evgeniy.n.egorov@gmail.com; Koronovskii, A. A.; Kurkin, S. A.; Hramov, A. E. [Chernyshevsky Saratov State University (Russian Federation)] [Chernyshevsky Saratov State University (Russian Federation)

2013-11-15T23:59:59.000Z

57

Method and means for dynamic measurement of rates of adsorption from solutions  

DOE Patents (OSTI)

A method and apparatus are described for the dynamic measurement of rates of absorption from solutions. The method has the advantage of avoiding the use of solvent normally used to establish a baseline. The method involves pre-evacuating the adsorbent contained in an adsorbent cell and thereafter rapidly contacting the adsorbent with analytical solution, all without prior exposure of adsorbent to pure solvent. The result is a sharp characteristic adsorption line. 5 figs.

Slomka, B.J.; Buttermore, W.H.

1992-05-05T23:59:59.000Z

58

Dynamics of Runaway Electrons in the Magnetic Field of a Tokamak  

Science Journals Connector (OSTI)

An energy cap of runaway electrons is found experimentally by observing their bremsstrahlung spectra in the ASDEX tokamak. This observation is explained by analyzing the dynamics of runaway electrons, including acceleration in the toroidal electric field, deceleration due to synchrotron radiation losses, collisions with plasma particles, and a resonance between gyromotion and magnetic field ripple of the tokamak. For the dynamics of runaway electrons a Fokker-Planck equation in momentum space is developed.

B. Kurzan; K. -H. Steuer; G. Fussmann

1995-12-18T23:59:59.000Z

59

Ion Association in AlCl3 Aqueous Solutions from Constrained First-Principles Molecular Dynamics  

SciTech Connect

Ab initio molecular dynamics was used to investigate the ion pairing behavior between Cl- and the Al3+ ion in an aqueous AlCl3 solution containing 63 water molecules. A series of constrained simulations was carried out at 300 K for up to 16 ps each, by fixing the inter-nuclear separation (rAl-Cl) between the Al3+ ion and one of the Cl- ions. The calculated potential of mean force of the Al3+-Cl- ion pair shows a pronounced minimum at rAl-Cl = 2.3 corresponding to a contact ion pair (CIP). Two local minima assigned to solvent separated ion pairs (SSIP) are identified at rAl-Cl= 4.4 and 6.0 . The positions of the free energy minima coincide with the hydration shell intervals of the Al3+ cation suggesting that the Cl- ion is inclined to reside in regions of low concentration of waters, i.e. between the 1st and 2nd shells of Al3+ and between the 2nd shell and bulk. A detailed analysis of solvent structure around the Al3+ and Cl- ions as a function of rAl-Cl is presented. The results are compared to structure data from X-ray measurements and unconstrained AIMD simulations of single ions Al3+ and Cl- and AlCl3 solutions. The dipole moment of the water molecules inside the 1st and 2nd hydration shells of Al3+ and in the bulk region and those of the Clion were calculated as a function of rAl-Cl. Major changes in the electronic structure of the system result from the removal of Cl- from the 1st hydration shell of the Al3+ cation. Finally, two unconstrained AIMD simulations of aqueous AlCl3 solutions corresponding to CIP and SSIP configurations were performed (17 ps, 300 K). Only minor structural changes are observed in these systems, confirming their stability.

Cauet, Emilie L.; Bogatko, Stuart A.; Bylaska, Eric J.; Weare, John H.

2012-10-15T23:59:59.000Z

60

FEAST fundamental framework for electronic structure calculations: Reformulation and solution of the muffin-tin problem  

Science Journals Connector (OSTI)

In a recent article Polizzi (2009) [15], the FEAST algorithm has been presented as a general purpose eigenvalue solver which is ideally suited for addressing the numerical challenges in electronic structure calculations. Here, FEAST is presented beyond the black-box solver as a fundamental modeling framework which can naturally address the original numerical complexity of the electronic structure problem as formulated by Slater in 1937 [3]. The non-linear eigenvalue problem arising from the muffin-tin decomposition of the real-space domain is first derived and then reformulated to be solved exactly within the FEAST framework. This new framework is presented as a fundamental and practical solution for performing both accurate and scalable electronic structure calculations, bypassing the various issues of using traditional approaches such as linearization and pseudopotential techniques. A finite element implementation of this FEAST framework along with simulation results for various molecular systems is also presented and discussed.

Alan R. Levin; Deyin Zhang; Eric Polizzi

2012-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "dynamic electron solutions" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


61

Car?Parrinello Molecular Dynamics Study of Anharmonic Systems:? A Mannich Base in Solution  

Science Journals Connector (OSTI)

Car?Parrinello Molecular Dynamics Study of Anharmonic Systems:? A Mannich Base in Solution ... Proton dynamics play a crucial role in many chemical, biochemical, and industrial processes1-4 because most of the properties of the water, which is the solvent in these systems, can be traced to intermolecular hydrogen bonds. ... However, there is also a fundamental reason for our choice of the atomic velocity power spectrum method; only in this way can we capture the dynamic nature of processes at the molecular level. ...

Aneta Jezierska; Jaros?aw Panek; Urban Bortnik; Janez Mavri; Duanka Janei?

2007-04-21T23:59:59.000Z

62

Electron dynamics in chromium probed with 20-fs optical pulses  

Science Journals Connector (OSTI)

Electron excitation and relaxation in chromium are probed with 20-fs time resolution using an ultrafast optical technique. We obtain good fits to the data for the transient reflectivity and transmittivity changes in a thin film using a simple model of electron relaxation, suggesting the existence of an efficient electron-electron thermalization process on ultrashort-time scales. Quantitative analysis allows the extraction of thermo-optic coefficients and dielectric constant variations related to both the electron and the lattice temperatures.

H. Hirori; T. Tachizaki; O. Matsuda; O. B. Wright

2003-09-16T23:59:59.000Z

63

Water Dynamics in Salt Solutions Studied with Ultrafast Two-Dimensional Infrared (2D IR)  

E-Print Network (OSTI)

Water Dynamics in Salt Solutions Studied with Ultrafast Two-Dimensional Infrared (2D IR RECEIVED ON FEBRUARY 3, 2009 C O N S P E C T U S Water is ubiquitous in nature, but it exists as pure water infrequently. From the ocean to biology, water molecules interact with a wide variety of dissolved species

Fayer, Michael D.

64

Molecular dynamics simulations of the interaction of glucose with imidazole in aqueous solution  

NLE Websites -- All DOE Office Websites (Extended Search)

Molecular dynamics simulations of the interaction of glucose with imidazole in Molecular dynamics simulations of the interaction of glucose with imidazole in aqueous solution Mo Chen, Yannick J. Bomble, Michael E. Himmel, John W. Brady PII: S0008-6215(11)00592-1 DOI: 10.1016/j.carres.2011.12.008 Reference: CAR 6026 To appear in: Carbohydrate Research Received Date: 15 June 2011 Revised Date: 22 November 2011 Accepted Date: 8 December 2011 Please cite this article as: Chen, M., Bomble, Y.J., Himmel, M.E., Brady, J.W., Molecular dynamics simulations of the interaction of glucose with imidazole in aqueous solution, Carbohydrate Research (2011), doi: 10.1016/j.carres. 2011.12.008 This is a PDF file of an unedited manuscript that has been accepted for publication. As a service to our customers we are providing this early version of the manuscript. The manuscript will undergo copyediting, typesetting, and

65

Intermediate-range order and collective dynamics in an aqueous solution of trivalent cations  

Science Journals Connector (OSTI)

Molecular dynamics (MD) simulations of a concentrated aqueous solution of high-valence cations M3+ demonstrate the occurrence of intermediate-range order (IRO) by a pronounced prepeak at k?1.0?1 in the static structure factor. The IRO effect on the high-frequency collective dynamics of acoustic modes is investigated in a model system which mimics a 2.8M EuCl3 aqueous solution. A single branch in the dispersion relation of longitudinal acoustic (LA) modes in solution is obtained up to k?0.5?1, and then it splits into two branches for higher wave vectors. The low-frequency branch of LA modes in solution is not the well-known transverselike branch seen in MD simulation of pure water. It is assigned instead to a subsystem of M3+ cations plus water molecules belonging to the cations first hydration shell. The excitation energy of the low-frequency branch reaches a maximum in a k range half of the prepeak value, so that IRO plays the role of a pseudoBrillouin zone for the cation subsystem. The high-frequency branch of the LA modes in solution follows the corresponding one in pure water, and in fact a subsystem of bulk water molecules is identified in solution showing high-frequency short-range structural relaxation similar to that of pure water.

Mauro C. C. Ribeiro

2006-01-10T23:59:59.000Z

66

IEEE TRANSACTIONS ON POWER ELECTRONICS, VOL. 19, NO. 2, MARCH 2004 491 A Complete Solution to the Harmonic  

E-Print Network (OSTI)

IEEE TRANSACTIONS ON POWER ELECTRONICS, VOL. 19, NO. 2, MARCH 2004 491 A Complete Solution be found. In particular, it is shown that there are new solutions that have not been previously reported in an inverter are not a concern (i.e., switching on the order of a few kHz is acceptable), then the sine

Tolbert, Leon M.

67

Room temperature solution-processed electron transport layer for organic solar cells  

Science Journals Connector (OSTI)

Abstract We present a new recipe for a solution-processed titanium oxide (TiOx) based electron transport layer at room temperature. Due to its high chemical compatibility with all types of organic blends (semi-crystalline or amorphous) and it is good adhesion to both surfaces of glass/ITO substrate and the active layer (blend), the buffer layer is suitable for use in organic solar cell devices with conventional, inverted or multi-junction structures. The main goal of this recipe is producing with easiness an repeatable and stable precursor that will leads to titanium oxide buffer layer each time with the same quality. Since the processing of the titanium oxide layer itself does not require any initial or additional treatment before and after the coating, and can even be carried in air as well as under protective atmosphere, our room temperature solution-processed electron transport layer is highly versatile and very promising for cost effective mass production of organic solar cells.

A. Hadipour; R. Mller; P. Heremans

2013-01-01T23:59:59.000Z

68

Hybrid approach for including electronic and nuclear quantum effects in molecular dynamics simulations of hydrogen transfer  

E-Print Network (OSTI)

Hybrid approach for including electronic and nuclear quantum effects in molecular dynamics January 2001 A hybrid approach for simulating proton and hydride transfer reactions in enzymes coefficient and to investigate the real-time dynamics of reactive trajectories. This hybrid approach includes

Hammes-Schiffer, Sharon

69

PHYSICAL REVIEW B 85, 094109 (2012) Electron dynamics of shocked polyethylene crystal  

E-Print Network (OSTI)

PHYSICAL REVIEW B 85, 094109 (2012) Electron dynamics of shocked polyethylene crystal Patrick L-dynamics simulations of the single shock Hugoniot are reported for a crystalline polyethylene (PE) model. The e. INTRODUCTION The material response of polyethylene (PE) to shock and its behavior in the warm dense matter (WDM

70

Electron-nuclear correlations for photo-induced dynamics in molecular dimers  

E-Print Network (OSTI)

processes are accompanied by a noticeable growth of the nuclear coordinate dispersion associatedElectron-nuclear correlations for photo-induced dynamics in molecular dimers Dmitri S. Kilin, Yuri dimers is drastically affected by the dynamic reorganization of inter- and intra- molecular nuclear

71

Feasibility of measuring surface electron spin dynamics by inelastic scattering of metastable helium atoms  

E-Print Network (OSTI)

helium atoms M. El-Batanouny, G. Murthy, and C. R. Willis Department of Physics, Boston University atoms (He*) from surfaces of magnetic insulators to study the dynamical properties of surface electron a metastable He atom and the surface electron spins are determined by a configuration interaction calculation

Kais, Sabre

72

Small-signal dynamic model of a micro-grid including conventional and electronically  

E-Print Network (OSTI)

Small-signal dynamic model of a micro-grid including conventional and electronically interfaced-signal modelling of a micro-grid system that includes conventional (rotating machine) and electronically interfaced deviations in the overall system model and provides a methodology for the analysis of autonomous micro-grid

Lehn, Peter W.

73

Single-Molecule Lysozyme Dynamics Monitored by an Electronic Circuit  

E-Print Network (OSTI)

Chem. B 38. S. N. Xie, Single Molecules 2, 229 (2001). 39.Technol. 26, 1338 (2010). Single-Molecule Lysozyme Dynamicsprobe the dynamics of single molecules (1) and overcome the

Collins, Philip G

2012-01-01T23:59:59.000Z

74

Picosecond spectroscopy and solvation clusters. The dynamics of localizing electrons in polar fluids  

SciTech Connect

New spectroscopic evidence concerning the dynamics of electron-induced solvation clusters in polar liquids is presented and integrated with previous picosecond data, in order to outline the roles molecular dynamics and structure can play both in initiating electron localization at subpicosecond times and in governing the solvation dynamics to form e/sup -//sub s/ in the picosecond domain. Particulr emphasis is placed on the picosecond time-resolved absorption spectroscopy of electrons in a wide range of alcohols and alcohol-alkane systems at 300/sup 0/K as a framework for the cluster model of electron solvation. While the configurationally relaxed final quantum state of e/sup -//sub s/ appears identical for e/sup -//sub s/ generated by different techniques, it is possible that the time evolution of the solvation cluster and the dynamics of electron populations between localized and continuum states could be influenced by the initial state of the system. Selected examples are discussed for alcohols, amines, and water, and comparisons are made for picosecond observations from different visible and IR spectroscopic techniques, NMR, and complementary nanosecond electron mobility data to demonstrate the overall consistency of a model in which only the dynamical, microscopic properties of the liquid determine these solvation events.

Kenney-Wallace, G.A. (Univ. of Toronto, Ontario); Jonah, C.D.

1982-07-08T23:59:59.000Z

75

Laser Assisted Nanomanufacturing with Solution Processed Nanoparticles for Low-cost Electronics and Photovoltaics  

E-Print Network (OSTI)

Electronics and Photovoltaics by Heng Pan A dissertationcost Electronics and Photovoltaics Copyright 2009 By HengLow-cost Electronics and Photovoltaics by Heng Pan Doctor of

Pan, Heng

2009-01-01T23:59:59.000Z

76

Electron dynamics and energy dissipation in highly excited dielectrics  

Science Journals Connector (OSTI)

Abstract When dielectrics are irradiated with an ultrashort laser pulse or a swift heavy ion, the transient density of electrons in the conduction band increases considerably. This density is a crucial parameter for the subsequent behavior of the material: After ion irradiation, it influences energy dissipation to the lattice as well as the energy transport to the outer track. For the case of laser irradiation on a timescale of about hundred femtoseconds, the free-electron density increase due to irradiation also determines the further absorption of the pulse energy. Additionally, the distribution function of the excited electrons may influence energy absorption and dissipation. We study the evolution of the free-electron density and energy in laser-irradiated solids on ultrashort timescales. Our calculations also give insights to the case of irradiation with a swift heavy ion. Various theoretical approaches are applied to trace the non-equilibrium distribution function of the highly excited electronic system as well as the energy transfer to the lattice and the transport of heat and carriers to the depth of the irradiated material.

B. Rethfeld; A. Rmer; N. Brouwer; N. Medvedev; O. Osmani

2014-01-01T23:59:59.000Z

77

Wafer-scale solution-derived molecular gate dielectrics for low-voltage graphene electronics  

SciTech Connect

Graphene field-effect transistors are integrated with solution-processed multilayer hybrid organic-inorganic self-assembled nanodielectrics (SANDs). The resulting devices exhibit low-operating voltage (2?V), negligible hysteresis, current saturation with intrinsic gain >1.0 in vacuum (pressure?electronics.

Sangwan, Vinod K.; Jariwala, Deep; McMorrow, Julian J.; He, Jianting; Lauhon, Lincoln J. [Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208 (United States); Everaerts, Ken [Department of Chemistry, Northwestern University, Evanston, Illinois 60208 (United States); Grayson, Matthew [Department of Electrical Engineering and Computer Science, Northwestern University, Evanston, Illinois 60208 (United States); Marks, Tobin J., E-mail: t-marks@northwestern.edu, E-mail: m-hersam@northwestern.edu; Hersam, Mark C., E-mail: t-marks@northwestern.edu, E-mail: m-hersam@northwestern.edu [Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208 (United States); Department of Chemistry, Northwestern University, Evanston, Illinois 60208 (United States)

2014-02-24T23:59:59.000Z

78

Electron Cyclotron Heating and Suprathermal Electron Dynamics in the TCV Tokamak.  

E-Print Network (OSTI)

??This thesis is concerned with the physics of suprathermal electrons in thermonuclear, magnetically confined plasmas. Under a variety of conditions, in laboratory as well as (more)

Gnesin, Silvano

2011-01-01T23:59:59.000Z

79

The viscosity radius in dilute polymer solutions: Universal behaviour from DNA rheology and Brownian dynamics simulations  

E-Print Network (OSTI)

The swelling of the viscosity radius, $\\alpha_\\eta$, and the universal viscosity ratio, $U_{\\eta R}$, have been determined experimentally for linear DNA molecules in dilute solutions with excess salt, and numerically by Brownian dynamics simulations, as a function of the solvent quality. In the latter instance, asymptotic parameter free predictions have been obtained by extrapolating simulation data for finite chains to the long chain limit. Experiments and simulations show a universal crossover for $\\alpha_\\eta$ and $U_{\\eta R}$ from $\\theta$ to good solvents in line with earlier observations on synthetic polymer-solvent systems. The significant difference between the swelling of the dynamic viscosity radius from the observed swelling of the static radius of gyration, is shown to arise from the presence of hydrodynamic interactions in the non-draining limit. Simulated values of $\\alpha_\\eta$ and $U_{\\eta R}$ are in good agreement with experimental measurements in synthetic polymer solutions reported previously, and with the measurements in linear DNA solutions reported here.

Sharadwata Pan; D. Ahirwal; Duc At Nguyen; T. Sridhar; P. Sunthar; J. Ravi Prakash

2014-05-16T23:59:59.000Z

80

Beam-dynamics Simulations for Channeling Radiation Electron Source  

Science Journals Connector (OSTI)

Abstract The intensity and the brilliance of the compact X-ray sources based on channeling radiation are strongly dependant on the electron beam quality. It was recently proposed to combine a field-emission electron source with channeling radiation through a diamond crystal to produce high-spectral-brilliance X-rays. There are two experiments in preparation at Fermilab to prove this technique. The beam energy in the two cases are 5-MeV and 40-MeV respectively. The field-emitted beams have emittance in the nanometer range when the microbunch is 25 ps long and the charge is about 2.5fC. RF guns operating at 1.3GHz can produce trains of at least 2 105 microbunches. In this contribution we present beam-dymamics simulations of a the field-emission and subsequent accelerator up to the channeling-radiation target.

D. Mihalcea; C.A. Brau; B.K. Choi; W. Gabella; J.D. Jarvis; J.W. Lewellen; M. Mendenhall; P. Piot

2014-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "dynamic electron solutions" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


81

In Situ, Real-Time Characterization of Silicide Nanostructure Coarsening Dynamics by Photo-Electron Emission Microscopy.  

E-Print Network (OSTI)

??Photo-electron emission microscopy (PEEM) was used to observe the growth and coarsening dynamics of transition metal (TM) silicide and rare earth (RE) silicide nanostructures on (more)

Zeman, Matthew Casimir

2007-01-01T23:59:59.000Z

82

The First Events in Photosynthesis: Electronic Coupling and Energy Transfer Dynamics in the Photosynthetic Reaction Center from Rhodobacter sphaeroides  

E-Print Network (OSTI)

The First Events in Photosynthesis: Electronic Coupling and Energy Transfer Dynamics in photosynthesis. The reaction center contains six chlorophyll-like pigments arranged with approximate C2 symmetry

Scherer, Norbert F.

83

Large dynamic range diagnostics for high current electron LINACs  

SciTech Connect

The Jefferson Lab FEL driver accelerator - Energy Recovery Linac has provided a beam with average current of up to 9 mA and beam energy of 135 MeV. The high power beam operations have allowed developing and testing methods and approaches required to set up and tune such a facility simultaneously for the high beam power and high beam quality required for high performance FEL operations. In this contribution we briefly review this experience and outline problems that are specific to high current - high power non-equilibrium linac beams. While the original strategy for beam diagnostics and tuning have proven to be quite successful, some shortcomings and unresolved issues were also observed. The most important issues are the non-equilibrium (non-Gaussian) nature of the linac beam and the presence of small intensity - large amplitude fraction of the beam a.k.a. beam halo. Thus we also present a list of the possible beam halo sources and discuss possible mitigations means. We argue that for proper understanding and management of the beam halo large dynamic range (>10{sup 6}) transverse and longitudinal beam diagnostics can be used. We also present results of transverse beam profile measurements with the dynamic range approaching 10{sup 5} and demonstrate the effect the increased dynamic range has on the beam characterization, i.e., emittance and Twiss parameters measurements. We also discuss near future work planned in this field and where the JLab FEL facility will be used for beam tests of the developed of new diagnostics.

Evtushenko, Pavel [JLAB

2013-11-01T23:59:59.000Z

84

Large dynamic range diagnostics for high current electron LINACs  

SciTech Connect

The Jefferson Lab FEL driver accelerator - Energy Recovery Linac has provided a beam with average current of up to 9 mA and beam energy of 135 MeV. The high power beam operations have allowed developing and testing methods and approaches required to set up and tune such a facility simultaneously for the high beam power and high beam quality required for high performance FEL operations. In this contribution we briefly review this experience and outline problems that are specific to high current - high power non-equilibrium linac beams. While the original strategy for beam diagnostics and tuning have proven to be quite successful, some shortcomings and unresolved issues were also observed. The most important issues are the non-equilibrium (non-Gaussian) nature of the linac beam and the presence of small intensity - large amplitude fraction of the beam a.k.a. beam halo. Thus we also present a list of the possible beam halo sources and discuss possible mitigations means. We argue that for proper understanding and management of the beam halo large dynamic range (>10{sup 6}) transverse and longitudinal beam diagnostics can be used. We also present results of transverse beam profile measurements with the dynamic range approaching 10{sup 5} and demonstrate the effect the increased dynamic range has on the beam characterization, i.e., emittance and Twiss parameters measurements. We also discuss near future work planned in this field and where the JLab FEL facility will be used for beam tests of the developed of new diagnostics.

Evtushenko, P., E-mail: Pavel.Evtushenko@jlab.org [Thomas Jefferson National Accelerator Facility 12000 Jefferson Avenue, Newport News, VA 23606 (United States)

2013-11-07T23:59:59.000Z

85

Driving Force Dependence of Electron Transfer Dynamics in Synthetic DNA Hairpins  

Science Journals Connector (OSTI)

Driving Force Dependence of Electron Transfer Dynamics in Synthetic DNA Hairpins ... The driving force dependence of photoinduced electron-transfer dynamics in duplex DNA has been investigated for 16 synthetic DNA hairpins in which an acceptor chromophore serves as a linker connecting two complementary oligonucleotide arms containing a single donor nucleobase located either adjacent to the linker or separated from the linker by two unreactive base pairs. ... for a family of synthetic DNA hairpins in which a stilbene dicarboxamide forms a bridge connecting two oligonucleotide arms. ...

Frederick D. Lewis; Rajdeep S. Kalgutkar; Yansheng Wu; Xiaoyang Liu; Jianqin Liu; Ryan T. Hayes; Scott E. Miller; Michael R. Wasielewski

2000-11-23T23:59:59.000Z

86

Lattice dynamics of GaN: Effects of 3d electrons  

Science Journals Connector (OSTI)

We perform first-principles calculations of structural, dielectric, and lattice-dynamical properties of cubic GaN. The equilibrium structure is obtained using the plane-wave pseudopotential approach within the density-functional theory and local-density approximation. The dielectric and vibrational properties are computed within the density-functional perturbation theory. The effect of the Ga 3d electrons is treated by taking into account the nonlinear core corrections for the exchange and correlation energy. The importance of 3d electrons for the bonding strength is determined, and their influence on the dielectric and dynamical properties of GaN is analyzed and discussed.

K. Karch; F. Bechstedt; T. Pletl

1997-08-15T23:59:59.000Z

87

Molecular Simulations of Aqueous Electrolyte Solubility: 1. The Expanded-Ensemble Osmotic Molecular Dynamics Method for the Solution Phase  

E-Print Network (OSTI)

+, and Cl-); undissociated molecular units (HgCl2) are the predominant solution solute species.1 such as mercury(II) chloride (HgCl2), only a small fraction of the atoms dissociate into free ions (HgCl+, Hg2 Dynamics Method for the Solution Phase Martin Li´sal,*,, William R. Smith,§ and Jiri´ Kolafa| E. Ha

Lisal, Martin

88

Electron transfer and capture dynamics in ZnSe quantum wells grown on GaAs  

SciTech Connect

We investigate the transfer and capture dynamics of electrons in phase coherent photorefractive ZnSe quantum wells grown on GaAs using degenerate three-beam four-wave-mixing. The measurements reveal electron capture times by the quantum well in the order of several tens of picoseconds and a transit time of approximately 5 picoseconds from the GaAs substrate through the ZnMgSe barrier.

Dongol, A.; Wagner, H. P. [Department of Physics, University of Cincinnati, Cincinnati, Ohio 45221 (United States)

2013-12-04T23:59:59.000Z

89

Structural and dynamic characterization of eukaryotic gene regulatory protein domains in solution  

SciTech Connect

Solution NMR was primarily used to characterize structure and dynamics in two different eukaryotic protein systems: the {delta}-Al-{var_epsilon} activation domain from c-jun and the Drosophila RNA-binding protein Sex-lethal. The second system is the Drosophila Sex-lethal (Sxl) protein, an RNA-binding protein which is the ``master switch`` in sex determination. Sxl contains two adjacent RNA-binding domains (RBDs) of the RNP consensus-type. The NMR spectrum of the second RBD (Sxl-RBD2) was assigned using multidimensional heteronuclear NMR, and an intermediate-resolution family of structures was calculated from primarily NOE distance restraints. The overall fold was determined to be similar to other RBDs: a {beta}{alpha}{beta}-{beta}{alpha}{beta} pattern of secondary structure, with the two helices packed against a 4-stranded anti-parallel {beta}-sheet. In addition {sup 15}N T{sub 1}, T{sub 2}, and {sup 15}N/{sup 1}H NOE relaxation measurements were carried out to characterize the backbone dynamics of Sxl-RBD2 in solution. RNA corresponding to the polypyrimidine tract of transformer pre-mRNA was generated and titrated into 3 different Sxl-RBD protein constructs. Combining Sxl-RBD1+2 (bht RBDs) with this RNA formed a specific, high affinity protein/RNA complex that is amenable to further NMR characterization. The backbone {sup 1}H, {sup 13}C, and {sup 15}N resonances of Sxl-RBD1+2 were assigned using a triple-resonance approach, and {sup 15}N relaxation experiments were carried out to characterize the backbone dynamics of this complex. The changes in chemical shift in Sxl-RBD1+2 upon binding RNA are observed using Sxl-RBD2 as a substitute for unbound Sxl-RBD1+2. This allowed the binding interface to be qualitatively mapped for the second domain.

Lee, A.L. [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry]|[Lawrence Berkeley National Lab., CA (United States). Structural Biology Div.

1996-05-01T23:59:59.000Z

90

Optically detected coherent spin dynamics of a single electron in a quantum dot  

E-Print Network (OSTI)

dynamics provide a sensitive probe of the local nuclear spin environment. The magneto-optical Kerr effect the sample, analogous to the Faraday effect for transmitted light. For a probe laser energy E, the KR angle,y are momentum operators. For a single conduction band energy level in a QD containing a spin-up electron

Loss, Daniel

91

CONTROL ELECTRONICS AND HYBRID DYNAMIC SYSTEM-BASED API FOR A 6-DOF DESKTOP HAPTIC INTERFACE  

E-Print Network (OSTI)

, , , , DSC7C-5 CONTROL ELECTRONICS AND HYBRID DYNAMIC SYSTEM-BASED API FOR A 6-DOF DESKTOP HAPTIC, a new low level applications pro- gramming interface API that models the haptic interface as a hybrid in this paper. A new approach to the design of haptic APIs is also presented. In this approach, the haptic

Salcudean, Tim

92

Dynamic Characterization of Graphene Growth and Etching by Oxygen on Ru(0001) by Photoemission Electron Microscopy  

E-Print Network (OSTI)

Dynamic Characterization of Graphene Growth and Etching by Oxygen on Ru(0001) by Photoemission of graphene on Ru(0001) was investigated by photoemission electron microscopy (PEEM) and scanning tunneling, we show that graphene overlayers with sizes ranging from nanometers to sub-millimeters have been

Bao, Xinhe

93

Dynamics of Tearing Modes during Strong Electron Cyclotron Heating on the FTU Tokamak  

Science Journals Connector (OSTI)

The localized electron cyclotron resonance heating power that can suppress sawteeth reconnection often drives m=2 tearing modes in a tokamak operating at constant current. The dynamics of mode onset and coupled mode evolution is described in detail and compared with a nonlinear theoretical model that identifies the effects of mode coupling, finite inertia of the rotating islands, and wall braking.

E. Lazzaro et al.

2000-06-26T23:59:59.000Z

94

Transverse resistive wall effects on the dynamics of a bunched electron beam  

Science Journals Connector (OSTI)

In the wigglers of future free-electron lasers, the electron beam will be required to travel over a length of 10 m or more in pipes with small diameters. Transverse resistive wall effects could lead to beam breakup during this transport. To investigate this possibility, the equation of motion for a bunched beam is solved analytically. Results show that a steady-state solution is reached for times larger than the diffusion time. This solution can either oscillate or grow exponentially with the length of the pipe, depending on the relative magnitudes of the resistive wall effect and the focusing force in the wiggler. The magnitude of the resistive wall effect depends on the pipe radius b (it increases as 1/b2) but is independent of the thickness and conductivity of the pipe. The thickness and conductivity affect only the time required to reach the steady-state solution. The possibility of a significant transient is also discussed.

Govindan Rangarajan and K. C. D. Chan

1989-05-01T23:59:59.000Z

95

Complex-Dynamical Solution to the Many-Body Interaction Problem and Its Applications in Fundamental Physics  

E-Print Network (OSTI)

We review the recently proposed unreduced, complex-dynamical solution to the many-body problem with arbitrary interaction and its application to the unified solution of fundamental problems, including dynamic foundations of causally complete quantum mechanics, relativity, particle properties and cosmology. We first analyse the universal properties of this many-body problem solution without any perturbative reduction and show that the emerging new quality of fundamental dynamic multivaluedness (or redundance) of the resulting system configuration leads to the natural and universal concept of dynamic complexity, chaoticity and fractality of any real system behaviour. We then consider unified features of this complex dynamics. Applications of that universal description to systems at various complexity levels have been performed and in this paper we review those at the lowest, fundamental complexity levels leading to causal understanding of the unified origin of quantum mechanics, relativity (special and general), elementary particles, their intrinsic properties and interactions. One reveals, in particular, the complex-dynamic origin of inertial and gravitational (relativistic) mass without introduction of any additional particle species, fields or dimensions. Other practically important consequences and problem solutions in fundamental physics and cosmology are summarised, confirming the efficiency of that unified picture.

Andrei P. Kirilyuk

2014-02-06T23:59:59.000Z

96

Solution structure and dynamics of C-terminal regulatory domain of Vibrio vulnificus extracellular metalloprotease  

SciTech Connect

Highlights: Black-Right-Pointing-Pointer We have determined solution structures of vEP C-terminal regulatory domain. Black-Right-Pointing-Pointer vEP C-ter100 has a compact {beta}-barrel structure with eight anti-parallel {beta}-strands. Black-Right-Pointing-Pointer Solution structure of vEP C-ter100 shares its molecular topology with that of the collagen-binding domain of collagenase. Black-Right-Pointing-Pointer Residues in the {beta}3 region of vEP C-ter100 might be important in putative ligand/receptor binding. Black-Right-Pointing-Pointer vEP C-ter100 interacts strongly with iron ion. -- Abstract: An extracellular metalloprotease (vEP) secreted by Vibrio vulnificus ATCC29307 is a 45-kDa proteolytic enzyme that has prothrombin activation and fibrinolytic activities during bacterial infection. The action of vEP could result in clotting that could serve to protect the bacteria from the host defense machinery. Very recently, we showed that the C-terminal propeptide (C-ter100), which is unique to vEP, is involved in regulation of vEP activity. To understand the structural basis of this function of vEP C-ter100, we have determined the solution structure and backbone dynamics using multidimensional nuclear magnetic resonance spectroscopy. The solution structure shows that vEP C-ter100 is composed of eight anti-parallel {beta}-strands with a unique fold that has a compact {beta}-barrel formation which stabilized by hydrophobic and hydrogen bonding networks. Protein dynamics shows that the overall structure, including loops, is very rigid and stabilized. By structural database analysis, we found that vEP C-ter100 shares its topology with that of the collagen-binding domain of collagenase, despite low sequence homology between the two domains. Fluorescence assay reveals that vEP C-ter100 interacts strongly with iron (Fe{sup 3+}). These findings suggest that vEP protease might recruit substrate molecules, such as collagen, by binding at C-ter100 and that vEP participates in iron uptake from iron-withholding proteins of the host cell during infection.

Yun, Ji-Hye; Kim, Heeyoun [Department of Biochemistry, College of Life Science and Biotechnology, Yonsei University, Seoul 120-749 (Korea, Republic of)] [Department of Biochemistry, College of Life Science and Biotechnology, Yonsei University, Seoul 120-749 (Korea, Republic of); Park, Jung Eun [Department of Biotechnology, College of Natural Sciences, Chosun University, Gwangju 501-759 (Korea, Republic of)] [Department of Biotechnology, College of Natural Sciences, Chosun University, Gwangju 501-759 (Korea, Republic of); Lee, Jung Sup, E-mail: jsplee@mail.chosun.ac.kr [Department of Biotechnology, College of Natural Sciences, Chosun University, Gwangju 501-759 (Korea, Republic of); Lee, Weontae, E-mail: wlee@spin.yonsei.ac.kr [Department of Biochemistry, College of Life Science and Biotechnology, Yonsei University, Seoul 120-749 (Korea, Republic of)] [Department of Biochemistry, College of Life Science and Biotechnology, Yonsei University, Seoul 120-749 (Korea, Republic of)

2013-01-11T23:59:59.000Z

97

The Reactivity and Structural Dynamics of Supported Metal Nanoclusters Using Electron Microscopy, in situ X-Ray Spectroscopy, Electronic Structure Theories, and Molecular Dynamics Simulations.  

SciTech Connect

The distinguishing feature of our collaborative program of study is the focus it brings to emergent phenomena originating from the unique structural/electronic environments found in nanoscale materials. We exploit and develop frontier methods of atomic-scale materials characterization based on electron microscopy (Yang) and synchrotron X-ray absorption spectroscopy (Frenkel) that are in turn coupled innately with advanced first principles theory and methods of computational modeling (Johnson). In the past year we have made significant experimental advances that have led to important new understandings of the structural dynamics of what are unquestionably the most important classes of heterogeneous catalyststhe materials used to both produce and mitigate the consequences of the use of liquid hydrocarbon fuels.

Judith C. Yang; Ralph G. Nuzzo, Duane Johnson, Anatoly Frenkel

2008-07-01T23:59:59.000Z

98

E-Print Network 3.0 - aqueous solution electron Sample Search...  

NLE Websites -- All DOE Office Websites (Extended Search)

fluid... was able to distinguish between the control solution and the ... Source: Johnson, Mark - Biomedical Engineering Department, Northwestern University Collection:...

99

A Comparison of Electron-Transfer Dynamics inIonic Liquids and Neutral Solvents  

SciTech Connect

The effect of ionic liquids on photoinduced electron-transfer reactions in a donor-bridge-acceptor system is examined for two ionic liquid solvents, 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)amide and tributylmethylammonium bis(trifluoromethylsulfonyl)amide. The results are compared with those for the same system in methanol and acetonitrile solution. Electron-transfer rates were measured using time-resolved fluorescence quenching for the donor-bridge-acceptor system comprising a 1-N,1-N-dimethylbenzene-1,4-diamine donor, a proline bridge, and a coumarin 343 acceptor. The photoinduced electron-transfer processes are in the inverted regime (-{Delta}G > {lambda}) in all four solvents, with driving forces of -1.6 to -1.9 eV and estimated reorganization energies of about 1.0 eV. The observed electron-transfer kinetics have broadly distributed rates that are generally slower in the ionic liquids compared to the neutral solvents, which also have narrower rate distributions. To describe the broad distributions of electron-transfer kinetics, we use two different models: a distribution of exponential lifetimes and a discrete sum of exponential lifetimes. Analysis of the donor-acceptor electronic coupling shows that for ionic liquids this intramolecular electron-transfer reaction should be treated using a solvent-controlled electron-transfer model.

Wishart J. F.; Lee, H.Y.; Issa, J.B.; Isied, S.S.; Castner, Jr., E.W.; Pan, Y.; Hussey, C.L.; Lee, K.S.

2012-03-01T23:59:59.000Z

100

Convergence method for calculating solutions to the 3D invariant embedding integro-differential equations describing electron transport processes  

E-Print Network (OSTI)

The electron and photon transport processes in spectroscopy techniques described by the invariant embedding theory is here revisited. We report a convergence method to obtain closed analytical solutions to the 3D integro-differential equations. This method was successfully used in calculating the dependence of the electron backscattered fraction on the atomic number and on the energy. Also the fraction of absorbed electron as a function of incident angles was calculated. Using a states ladder model for the electron energies, this method provides a tool for testing physical parameters involved in the transport theory, such as the elastic and inelastic cross sections. The outstanding feature of the invariant embedding differential equations of considering observable quantities (such as the emergent flux of particles) as independent variables makes them a suitable tool to describe experimental situations.

Carlos Figueroa; Horacio Brizuela; Silvia P. Heluani

2010-06-19T23:59:59.000Z

Note: This page contains sample records for the topic "dynamic electron solutions" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


101

Electronic personal dosemeters: the solution to problems of individual monitoring in mixed neutron/photon fields?  

Science Journals Connector (OSTI)

......detectors with an electronic counting device...However, these calculations are rarely available...SAPHYDOSE-N, GSF electronic neutron dosemeter...neutron dosemeter and does not need to work...Development of electronic personal neutron...In: Technical Handbook (2000). 6......

M. Luszik-Bhadra

2004-08-01T23:59:59.000Z

102

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

SciTech Connect

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

Morzan, Uriel N.; Ramrez, Francisco F.; Scherlis, Damin A., E-mail: damian@qi.fcen.uba.ar, E-mail: mcgl@qb.ffyb.uba.ar [Departamento de Qumica Inorgnica, Analtica y Qumica Fsica/INQUIMAE, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pab. II, Buenos Aires (C1428EHA) (Argentina); Oviedo, M. Beln; Snchez, Cristin G. [Departamento de Matemtica y Fsica, Facultad de Ciencias Qumicas, INFIQC, Universidad Nacional de Crdoba, Ciudad Universitaria, X5000HUA Crdoba (Argentina)] [Departamento de Matemtica y Fsica, Facultad de Ciencias Qumicas, INFIQC, Universidad Nacional de Crdoba, Ciudad Universitaria, X5000HUA Crdoba (Argentina); Lebrero, Mariano C. Gonzlez, E-mail: damian@qi.fcen.uba.ar, E-mail: mcgl@qb.ffyb.uba.ar [Instituto de Qumica y Fisicoqumica Biolgicas, IQUIFIB, CONICET (Argentina)] [Instituto de Qumica y Fisicoqumica Biolgicas, IQUIFIB, CONICET (Argentina)

2014-04-28T23:59:59.000Z

103

Ultrafast Electron Dynamics in Gold in the Presence of Laser Excited Surface Plasma Waves  

SciTech Connect

Surface plasmon excitation with ultrashort intense laser pulses enhances efficiently laser absorption in metals and creates local high fields and non-equilibrium hot electrons population that have attractivity for numerous applications such as the development of intense sources of high-energy particles or photons and in the fast ignitor scheme in the framework of inertial fusion. In this context, the knowledge of the dynamics of relaxation of the collective electrons behavior is of importance. Using gold grating, we have investigated electrons relaxation in the presence of laser excited surface plasmon waves using a multiple-wavelengh femtosecond pump-probe technique. The results yield evidence of longer relaxation time in the presence of the collective excitation than that of individual electronic states.

Raynaud, M. [CEA/DSM/IRAMIS/LSI, Ecole Polytechnique, 91128 Palaiseau (France); Geoffroy, G.; Perdrix, M. [CEA/DSM/IRAMIS/SPAM, 91191 Gif-sur-Yvette (France); Martin, P. [CELIA, Universite Bordeaux 1-CEA-CNRS, 33405 Talence (France)

2010-02-02T23:59:59.000Z

104

Dynamic nuclear polarization with simultaneous excitation of electronic and nuclear transitions  

E-Print Network (OSTI)

Dynamic nuclear polarization transfers spin polarization from electrons to nuclei. We have achieved this by a new method, simultaneously exciting transitions of electronic and nuclear spins. The efficiency of this technique improves with increasing magnetic field. Experimental results are shown for N@C60 with continuous-wave microwaves, which can be expected to produce even higher polarization than the corresponding pulsed techniques for electron spins greater than 1/2. The degree of nuclear polarization in this case can be easily monitored through the intensities of the well resolved hyperfine components in the EPR spectrum. The nuclear spin-lattice relaxation time is orders of magnitude longer than that of the electrons.

G. W. Morley; K. Porfyrakis; A. Ardavan; J. van Tol

2008-05-28T23:59:59.000Z

105

Backscattering and absorption coefficients for electrons: Solutions of invariant embedding transport equations using a method of convergence  

SciTech Connect

The backscattering coefficient is a magnitude whose measurement is fundamental for the characterization of materials with techniques that make use of particle beams and particularly when performing microanalysis. In this work, we report the results of an analytic method to calculate the backscattering and absorption coefficients of electrons in similar conditions to those of electron probe microanalysis. Starting on a five level states ladder model in 3D, we deduced a set of integro-differential coupled equations of the coefficients with a method know as invariant embedding. By means of a procedure proposed by authors, called method of convergence, two types of approximate solutions for the set of equations, namely complete and simple solutions, can be obtained. Although the simple solutions were initially proposed as auxiliary forms to solve higher rank equations, they turned out to be also useful for the estimation of the aforementioned coefficients. In previous reports, we have presented results obtained with the complete solutions. In this paper, we present results obtained with the simple solutions of the coefficients, which exhibit a good degree of fit with the experimental data. Both the model and the calculation method presented here can be generalized to other techniques that make use of different sorts of particle beams.

Figueroa, C.; Brizuela, H.; Heluani, S. P. [Laboratorio de Fsica del Slido, Dpto. de Fsica, Facultad de Ciencias Exactas y Tecnologa, Universidad Nacional de Tucumn (Argentina)

2014-05-21T23:59:59.000Z

106

Acceptance of ERP Solutions in Maturity Use Phase: Key Influence Factors for SAP and Microsoft Dynamics NAV  

Science Journals Connector (OSTI)

Enterprise resource planning ERP solutions have been implemented in a lot of organizations in the past few years. Notwithstanding the fact that ERP solutions benefit organizations only to the extent that users accept and use them, most studies regarding ... Keywords: Enterprise Resource Planning ERP, Lifecycle, Microsoft Dynamics Nest Asset Value NAV, Partial Least Squares PLS, Structural Equation Modeling SEM, Systems Applications and Products in Data Processing SAP, Technology Acceptance Model TAM

Simona Sternad; Samo Bobek

2012-07-01T23:59:59.000Z

107

Reorganization of the cluster state in a C60/N-Methylpyrrolidone/water solution: Comparative characteristics of dynamic light scattering and small-angle neutron scattering data  

Science Journals Connector (OSTI)

Data on dynamic light scattering from cluster solutions of C60 fullerenes in N-methylpyrrolidone (NMP) and its mixture with water are analyzed. Initial C60.../NMP solutions kept for two weeks (i.e., fresher than ...

A. A. Kaznacheevskaya; O. A. Kizima

2013-11-01T23:59:59.000Z

108

Charge separation dynamics and opto-electronic properties of a diaminoterephthalate- C 60 diad  

E-Print Network (OSTI)

A novel diad composed of a diaminoterephthalate scaffold, covalently linked to a Fullerene derivative, is explored as a nanosized charge separation unit powered by solar energy. Its opto-electronic properties are studied and the charge separation rate is determined. Simulations of the coupled electronic and nuclear dynamics in the Ehrenfest approximation are carried out ona sub 100 fs time scale after photoexcitation in order to gain insights about the mechanisms driving the the charge separation. In particular, the role of vibronic coupling and of the detailed morphology are highlighted.

Pittalis, Stefano; Robin, Jrg; Freimuth, Lena; Christoffers, Jens; Rozzi, Christoph Lienaua nd Carlo Andrea

2014-01-01T23:59:59.000Z

109

Nano-electron beam induced current and hole charge dynamics through uncapped Ge nanocrystals  

SciTech Connect

Dynamics of hole storage in spherical Ge nanocrystals (NCs) formed by a two step dewetting/nucleation process on an oxide layer grown on an n-doped <001> silicon substrate is studied using a nano-electron beam induced current technique. Carrier generation is produced by an electron beam irradiation. The generated current is collected by an atomic force microscope--tip in contact mode at a fixed position away from the beam spot of about 0.5 {mu}m. This distance represents the effective diffusion length of holes. The time constants of holes charging are determined and the effect of the NC size is underlined.

Marchand, A.; El Hdiy, A.; Troyon, M. [Laboratoire de Recherche en Nanosciences, Bat. 6, case no 15, UFR Sciences, Universite de Reims Champagne Ardenne, 51687 Reims Cedex 2 (France); Amiard, G.; Ronda, A.; Berbezier, I. [IM2NP, Faculte des Sciences et Techniques, Campus de Saint Jerome - Case 142, Avenue Escadrille Normandie Niemen, 13397 Marseille Cedex 20 (France)

2012-04-16T23:59:59.000Z

110

Quantum dynamics with fermion coupled coherent states: Theory and application to electron dynamics in laser fields  

SciTech Connect

We present an alternate version of the coupled-coherent-state method, specifically adapted for solving the time-dependent Schroedinger equation for multielectron dynamics in atoms and molecules. This theory takes explicit account of the exchange symmetry of fermion particles, and it uses fermion molecular dynamics to propagate trajectories. As a demonstration, calculations in the He atom are performed using the full Hamiltonian and accurate experimental parameters. Single- and double-ionization yields by 160-fs and 780-nm laser pulses are calculated as a function of field intensity in the range 10{sup 14}-10{sup 16} W/cm{sup 2}, and good agreement with experiments by Walker et al. is obtained. Since this method is trajectory based, mechanistic analysis of the dynamics is straightforward. We also calculate semiclassical momentum distributions for double ionization following 25-fs and 795-nm pulses at 1.5x10{sup 15} W/cm{sup 2}, in order to compare them with the detailed experiments by Rudenko et al. For this more challenging task, full convergence is not achieved. However, major effects such as the fingerlike structures in the momentum distribution are reproduced.

Kirrander, Adam [Laboratoire Aime Cotton du CNRS, Universite de Paris-Sud, Batiment 505, F-91405 Orsay (France); Shalashilin, Dmitrii V. [School of Chemistry, University of Leeds, Leeds LS2 9JT (United Kingdom)

2011-09-15T23:59:59.000Z

111

The structure of approximate two electron wavefunctions in intense laser driven ionization dynamics  

E-Print Network (OSTI)

The structure of approximate two electron wavefunction is deeply investigated, both theoretically and numerically, in the strong-field driven ionization dynamics. Theoretical analyses clarify that for two electron singlet systems, the previously proposed time-dependent extended Hartree-Fock (TD-EHF) method [Phys. Rev. A 51, 3999 (1995)] is equivalent to the multiconfiguration time-dependent Hartree-Fock method with two occupied orbitals. The latter wavefunction is further transformed into the natural expansion form, enabling the direct propagation of the natural orbitals (NOs). These methods, as well as the conventional time-dependent Hartree-Fock (TDHF) method, are numerically assessed for the description of ionization dynamics of one-dimensional helium atom model. This numerical analysis (i) explains the reason behind the well-known failure of TDHF method to describe tunneling ionization, (ii) demonstrates the interpretive power of the TD-EHF wavefunction both in the original nonorthogonal and the NO-based ...

Sato, Takeshi

2014-01-01T23:59:59.000Z

112

Solvation of Magnesium Dication: Molecular Dynamics Simulation and Vibrational Spectroscopic Study of Magnesium Chloride in Aqueous Solutions  

E-Print Network (OSTI)

Solvation of Magnesium Dication: Molecular Dynamics Simulation and Vibrational Spectroscopic Study of Magnesium Chloride in Aqueous Solutions Karen M. Callahan, Nadia N. Casillas-Ituarte, Martina Roeselova 26, 2010 Magnesium dication plays many significant roles in biochemistry. While it is available

113

HIV-1 Tat Is a Natively Unfolded Protein THE SOLUTION CONFORMATION AND DYNAMICS OF REDUCED HIV-1 Tat-(172)  

E-Print Network (OSTI)

HIV-1 Tat Is a Natively Unfolded Protein THE SOLUTION CONFORMATION AND DYNAMICS OF REDUCED HIV-1 (transactivation response element (TAR)) formed by the first 59 nucleotides of the HIV-1 RNA (4). Tat stimulates of HIV-dementia (15). A molecular understanding of Tat activity requires a determination of its structure

O'Neil, Joe

114

Dynamics and Spatial Distribution of Electrons in Quantum Wells at Interfaces Determined by Femtosecond Photoemission Spectroscopy  

SciTech Connect

The dynamics of excited electrons in insulator quantum well states on a metal substrate were determined by femtosecond two-photon photoemission for the first time. Lifetimes are reported for the first three excited states for 1{endash}6 atomic layers of Xe on Ag(111). As the image states evolve into quantum well states with increasing coverage, the lifetimes undergo an oscillation as the layer boundary crosses each node of the wave function. The lifetime data are modeled by extending the two-band nearly free-electron approximation to account for the presence of a dielectric layer. The lifetimes are shown to depend on the spatial distribution of the interfacial electron. {copyright} {ital 1997} {ital The American Physical Society}

McNeill, J.D.; Lingle, R.L. Jr.; Ge, N.; Wong, C.M.; Jordan, R.E.; Harris, C.B. [Department of Chemistry, University of California, Berkeley, California 94720, and Chemical Sciences Division, Ernest Orlando Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)] [Department of Chemistry, University of California, Berkeley, California 94720, and Chemical Sciences Division, Ernest Orlando Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

1997-12-01T23:59:59.000Z

115

Excited states and electron transfer in solution : models based on density functional theory  

E-Print Network (OSTI)

Our understanding of organic materials for solar energy conversion stands to benefit greatly from accurate, computationally tractable electronic structure methods for excited states. Here we apply two approaches based on ...

Kowalczyk, Timothy Daniel

2012-01-01T23:59:59.000Z

116

A phenomenological model of dynamical arrest of electron transfer in solvents in the glass-transition region  

E-Print Network (OSTI)

A phenomenological model of dynamical arrest of electron transfer in solvents in the glass 2004; published online 17 February 2005 A phenomenological model of electron transfer reactions-acceptor energy gaps dashed line in Fig. 1 differs from the equilibrium distribution. The present phenomenological

Matyushov, Dmitry

117

Electron spin resonance studies of two dimethoxymethane radicals in aqueous solution  

E-Print Network (OSTI)

-15 electron spin resonance (ESR) spectrometer was utili=ed in these studies. The g-values, a and y hyperfine splittings, and line widths were determined for each radical, and a com- puter program was used to generate a theoretical spectrum which... Electron Spin Resonance of Free Radicals One of the most general de initions that can be given for a f: ee radical is that of Ingram describing 15 it as "a molecule, or part of a molecule, in which the normal chemical binding has been modified so...

Lewis, Eileen Lob

2012-06-07T23:59:59.000Z

118

Numerical solution for stochastic point-kinetics equations with sinusoidal reactivity in dynamical system of nuclear reactor  

Science Journals Connector (OSTI)

In this present analysis, the numerical simulation methods are applied to calculate the solution for stochastic point-kinetic equations with sinusoidal reactivity in dynamical system of nuclear reactor. The resulting system of differential equations is solved for each time step-size. Using experimental data, the methods are investigated over initial conditions and with sinusoidal reactivity. The computational results designate that these numerical approximation methods are straightforward, effective and easy for solving stochastic point-kinetic equations.

S. Saha Ray; A. Patra

2013-01-01T23:59:59.000Z

119

Dynamic screening and wake effects on electronic excitation in ion-solid and ion-surface collisions  

SciTech Connect

The collective electronic response in a solid effectively alters ionic and atomic potentials giving rise to dynamic screening and to a wake'' of density fluctuations trailing ions as they propagate through the solid. The presence of dynamic screening modifies electronic excitation processes of projectiles in ion-solid collisions as compared to binary ion-atom collisions. We review recent theoretical and experimental studies directed at the search for and identification of signatures of dynamic screening and wake effects. Examples include the formation of excited projectile bound states under channeling conditions, radiative electron capture, the search for wake riding'' electrons in antiproton-solid collisions, and the neutralization of highly charged ions near surfaces. 42 refs., 7 figs.

Burgdoerfer, J. (Tennessee Univ., Knoxville, TN (United States). Dept. of Physics Oak Ridge National Lab., TN (United States))

1991-01-01T23:59:59.000Z

120

Electron transport modeling and energy filtering for efficient thermoelectric Mg2Si1?xSnx solid solutions  

Science Journals Connector (OSTI)

We present a comprehensive electron transport model to analyze thermoelectric properties of both n- and p-type bulk Mg2Si1?xSnx (0?x?1) solid solutions. A temperature-dependent multiparabolic bands model is used to describe the band structures of the alloys, and the transport properties are calculated using the linearized Boltzmann transport equations under the relaxation time approximation. A variety of experimental data from literature are fitted very well by this model and analyzed for further material optimization. Our analysis shows that the compositions of x = 0.6 to 0.7 exhibit the highest thermoelectric figure of merit zT among n-type Mg2Si1?xSnx in the midtemperature range 600 to 900 K due to both the high power factors achieved by the convergence of the two conduction bands and low electronic thermal conductivities. For the p-type materials, we find that the bipolar electronic thermal conductivity is a major factor limiting the figure of merit. Low Sn content (x?p-type materials due mainly to their lower bipolar thermal conductivities with larger band gaps. Finally, we propose that hot carrier energy filtering can be very useful for these alloys as it can simultaneously reduce the electronic thermal conductivity and enhance the power factor. A zT greater than 3 is possible for n-type Mg2Si0.4Sn0.6 (x = 0.6) at 700 K, if electrons with energies lower than 0.4 eV are effectively prevented from participating in transport.

Je-Hyeong Bahk; Zhixi Bian; Ali Shakouri

2014-02-05T23:59:59.000Z

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121

The reaction dynamics of alkali dimer molecules and electronically excited alkali atoms with simple molecules  

SciTech Connect

This dissertation presents the results from the crossed molecular beam studies on the dynamics of bimolecular collisions in the gas phase. The primary subjects include the interactions of alkali dimer molecules with simple molecules, and the inelastic scattering of electronically excited alkali atoms with O{sub 2}. The reaction of the sodium dimers with oxygen molecules is described in Chapter 2. Two reaction pathways were observed for this four-center molecule-molecule reaction, i.e. the formations of NaO{sub 2} + Na and NaO + NaO. NaO{sub 2} products exhibit a very anisotropic angular distribution, indicating a direct spectator stripping mechanism for this reaction channel. The NaO formation follows the bond breaking of O{sub 2}, which is likely a result of a charge transfer from Na{sub 2} to the excited state orbital of O{sub 2}{sup {minus}}. The scattering of sodium dimers from ammonium and methanol produced novel molecules, NaNH{sub 3} and Na(CH{sub 3}OH), respectively. These experimental observations, as well as the discussions on the reaction dynamics and the chemical bonding within these molecules, will be presented in Chapter 3. The lower limits for the bond dissociation energies of these molecules are also obtained. Finally, Chapter 4 describes the energy transfer between oxygen molecules and electronically excited sodium atoms.

Hou, H. [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry]|[Lawrence Berkeley National Lab., CA (United States). Chemical Sciences Div.

1995-12-01T23:59:59.000Z

122

Momentum imaging spectrometer for molecular fragmentation dynamics induced by pulsed electron beam  

SciTech Connect

A momentum imaging spectrometer has been built for studying the electron impact molecular fragmentation dynamics. The setup consists of a pulsed electron gun and a time of flight system as well as a two-dimensional time and position sensitive multi-hit detector. The charged fragments with kinetic energy up to 10 eV can be detected in 4? solid angles and their three-dimensional momentum vectors can be reconstructed. The apparatus is tested by electron impact ionization of Ar and dissociative ionization of CO{sub 2}. By analyzing the ion-ion coincidence spectra, the complete and incomplete Coulomb fragmentation channels for CO{sub 2}{sup 2+} and CO{sub 2}{sup 3+} are identified. The kinetic energy release (KER) and angular correlation for the two-body breakup channel CO{sub 2}{sup 2+*}? O{sup +}+ CO{sup +} are reported. The peak value of total KER is found to be 6.8 eV which is consistent with the previous photoion-photoion coincidence studies, and the correlation angle of O{sup +} and CO{sup +} is also explicitly determined to be 172.5.

Wang, EnLiang; Shan, Xu; Shi, YuFeng; Tang, YaGuo; Chen, XiangJun [Hefei National Laboratory for Physical Sciences at Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China)] [Hefei National Laboratory for Physical Sciences at Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China)

2013-12-15T23:59:59.000Z

123

Quantifying Transient States in Materials with the Dynamic Transmission Electron Microscope  

SciTech Connect

The Dynamic Transmission Electron Microscope (DTEM) offers a means of capturing rapid evolution in a specimen through in-situ microscopy experiments by allowing 15 ns electron micrograph exposure times. The rapid exposure time is enabled by creating a burst of electrons at the emitter by ultraviolet pulsed laser illumination. This burst arrives a specified time after a second laser initiates the specimen reaction. The timing of the two Q-switched lasers is controlled by high-speed pulse generators with a timing error much less than the pulse duration. Both diffraction and imaging experiments can be performed, just as in a conventional TEM. The brightness of the emitter and the total current control the spatial and temporal resolutions. We have demonstrated 7 nm spatial resolution in single 15 ns pulsed images. These single-pulse imaging experiments have been used to study martensitic transformations, nucleation and crystallization of an amorphous metal, and rapid chemical reactions. Measurements have been performed on these systems that are possible by no other experimental approaches currently available.

Campbell, G; LaGrange, T; Kim, J; Reed, B; Browning, N

2009-09-21T23:59:59.000Z

124

TRACING ELECTRON BEAMS IN THE SUN'S CORONA WITH RADIO DYNAMIC IMAGING SPECTROSCOPY  

SciTech Connect

We report observations of type III radio bursts at decimeter wavelengths (type IIIdm bursts)-signatures of suprathermal electron beams propagating in the low corona-using the new technique of radio dynamic imaging spectroscopy provided by the recently upgraded Karl G. Jansky Very Large Array. For the first time, type IIIdm bursts were imaged with high time and frequency resolution over a broad frequency band, allowing electron beam trajectories in the corona to be deduced. Together with simultaneous hard X-ray and extreme ultraviolet observations, we show that these beams emanate from an energy release site located in the low corona at a height below {approx}15 Mm, and propagate along a bundle of discrete magnetic loops upward into the corona. Our observations enable direct measurements of the plasma density along the magnetic loops, and allow us to constrain the diameter of these loops to be less than 100 km. These overdense and ultra-thin loops reveal the fundamentally fibrous structure of the Sun's corona. The impulsive nature of the electron beams, their accessibility to different magnetic field lines, and the detailed structure of the magnetic release site revealed by the radio observations indicate that the localized energy release is highly fragmentary in time and space, supporting a bursty reconnection model that involves secondary magnetic structures for magnetic energy release and particle acceleration.

Chen Bin [Department of Astronomy, University of Virginia, Charlottesville, VA 22904 (United States); Bastian, T. S. [National Radio Astronomy Observatory, Charlottesville, VA 22903 (United States); White, S. M. [Air Force Research Laboratory, Kirtland Air Force Base, New Mexico, NM (United States); Gary, D. E. [Center for Solar-Terrestrial Research, New Jersey Institute of Technology, Newark, NJ 07102 (United States); Perley, R.; Rupen, M. [National Radio Astronomy Observatory, Socorro, NM 87801 (United States); Carlson, B. [National Research Council of Canada, Penticton, BC V2A 6J9 (Canada)

2013-01-20T23:59:59.000Z

125

Operator Calculus and the Solution of the Equations of Quantum Dynamics  

Science Journals Connector (OSTI)

A formal calculus is developed which includes the Born and Jordan matrix dynamics, and also the remarkable quantum condition of Schroedinger. A method for the calculation of the matrices which is in close analogy to the classical Hamilton-Jacobi method of solving dynamical problems is explained. These results have been obtained independently by E. Schroedinger [Ann. d. Physik. 79, 734 (1926)].

Carl Eckart

1926-10-01T23:59:59.000Z

126

ab initio Electronic Transport Model with Explicit Solution to the Linearized Boltzmann Transport Equation  

E-Print Network (OSTI)

Accurate models of carrier transport are essential for describing the electronic properties of semiconductor materials. To the best of our knowledge, the current models following the framework of the Boltzmann transport equation (BTE) either rely heavily on experimental data (i.e., semi-empirical), or utilize simplifying assumptions, such as the constant relaxation time approximation (BTE-cRTA). While these models offer valuable physical insights and accurate calculations of transport properties in some cases, they often lack sufficient accuracy -- particularly in capturing the correct trends with temperature and carrier concentration. We present here a general transport model for calculating low-field electrical drift mobility and Seebeck coefficient of n-type semiconductors, by explicitly considering all relevant physical phenomena (i.e. elastic and inelastic scattering mechanisms). We first rewrite expressions for the rates of elastic scattering mechanisms, in terms of ab initio properties, such as the ban...

Faghaninia, Alireza; Lo, Cynthia S

2015-01-01T23:59:59.000Z

127

Dynamic  

Office of Legacy Management (LM)

Dynamic Dynamic , and Static , Res.ponse of the Government Oil Shale Mine at ' , . , Rifle, Colorado, to the Rulison Event. , . ; . . DISCLAIMER Portions of this document may be illegible in electronic image products. Images are produced from the best available original document. p ( y c - - a 2-1 0 -4- REPORT AT (29-2) 914 USBM 1 0 0 1 UNITED STATES DEPARTMENT O F THE I NTERIOR BUREAU OF MINES e s.09 P. L. R U S S E L L RESEARCH D l RECTOR Februory 2, lB7O DYNAMIC AND STATIC RESPONSE 'OF THE GOVERNMENT OIL SHALE MINE A T RIFLE, COLORADO, T O THE, RULISON EVENT ORDER FROM CFSTl A S ~ B ~ &J C / This page intentionally left blank CONTENTS Page . . . . . . . . . . . . . . . . . . . . . . . . . H i s t o r i c . a l Des c r i p t i o n 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Summary 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Introduction 3

128

A study of structure and dynamics of polyelectrolyte solutions using flow birefringence measurements  

E-Print Network (OSTI)

Stress optical data from polyelectrolytes (sodium polystyrenesulfonate) in aqueous solutions have been determined using flow birefringence. The stress optical rule was found to be violated in the semidilute unentangled concentration regime...

Chen, Shih Ping

2012-06-07T23:59:59.000Z

129

Non-smooth Dynamics Using Differential-algebraic Equations Perspective: Modeling and Numerical Solutions  

E-Print Network (OSTI)

mathematical tools. On the other hand, the approach based on differential-algebraic equations gives more insight into the constitutive assumptions of a chosen model and easier to obtain numerical solutions. Bingham-type models in which the force cannot...

Gotika, Priyanka

2012-02-14T23:59:59.000Z

130

Advances in cryogenic transmission electron microscopy for the characterization of dynamic self-assembling nanostructures  

Science Journals Connector (OSTI)

Elucidating the structural information of nanoscale materials in their solvent-exposed state is crucial, as a result, cryogenic transmission electron microscopy (cryo-TEM) has become an increasingly popular technique in the materials science, chemistry, and biology communities. Cryo-TEM provides a method to directly visualize the specimen structure in a solution-state through a thin film of vitrified solvent. This technique complements X-ray, neutron, and light scattering methods that probe the statistical average of all species present; furthermore, cryo-TEM can be used to observe changes in structure over time. In the area of self-assembly, this tool has been particularly powerful for the characterization of natural and synthetic small molecule assemblies, as well as hybrid organicinorganic composites. In this review, we discuss recent advances in cryogenic TEM in the context of self-assembling systems with emphasis on characterization of transitions observed in response to external stimuli.

Christina J. Newcomb; Tyson J. Moyer; Sungsoo S. Lee; Samuel I. Stupp

2012-01-01T23:59:59.000Z

131

Longitudinal beam dynamics simulation in electron rings in strong rf focusing regime  

Science Journals Connector (OSTI)

Obtaining very short bunches in an electron storage ring is one of the frontiers of the accelerator physics. The strong rf focusing (SRFF) is a way to have short bunches at a given position in the ring, thanks to the principle of the bunch length modulation. Until now, the bunch length modulation has been studied only in the limit of zero current; in this paper we present the results of a simulation code suitable to study the effects of coherent synchrotron radiation and vacuum chamber wakefields on the single bunch longitudinal dynamics in the SRFF regime . The code has been applied to three different lattices that can be realized in the Frascati e+/e- collider DA?NE for a possible experiment on bunch length modulation.

Luciano Falbo; David Alesini; Mauro Migliorati

2006-09-13T23:59:59.000Z

132

Structural, electronic, mechanical, and dynamical properties of graphene oxides: A first principles study  

SciTech Connect

We report the results of a theoretical study on the structural, electronic, mechanical, and vibrational properties of some graphene oxide models (GDO, a-GMO, z-GMO, ep-GMO and mix-GMO) at ambient pressure. The calculations are based on the ab-initio plane-wave pseudo potential density functional theory, within the generalized gradient approximations for the exchange and correlation functional. The calculated values of lattice parameters, bulk modulus, and its first order pressure derivative are in good agreement with other reports. A linear response approach to the density functional theory is used to derive the phonon frequencies. We discuss the contribution of the phonons in the dynamical stability of graphene oxides and detailed analysis of zone centre phonon modes in all the above mentioned models. Our study demonstrates a wide range of energy gap available in the considered models of graphene oxide and hence the possibility of their use in nanodevices.

Dabhi, Shweta D. [Department of Physics, Maharaja Krishnakumarsinhji Bhavnagar University, Bhavnagar 364001 (India); Gupta, Sanjay D. [V. B. Institute of Science, Department of Physics, C. U. Shah University, Wadhwan City - 363030, Surendranagar (India); Jha, Prafulla K., E-mail: prafullaj@yahoo.com [Department of Physics, Faculty of Science, The Maharaja Sayajirao University of Baroda, Vadodara-390002 (India)

2014-05-28T23:59:59.000Z

133

Transverse dynamics of an intense electron bunch traveling through a pre-ionized plasma  

SciTech Connect

The propagation of a relativistic electron bunch through a plasma is an important problem in both plasma-wakefield acceleration and laser-wakefield acceleration. In those situations, the charge of the accelerated bunch is usually large enough to drive a relativistic wakefield, which then affects the transverse dynamics of the bunch itself. Yet to date, there is no fully relativistic, fully electromagnetic model that describes the generation of this wakefield and its feedback on the bunch. In this article, we derive a model which takes into account all the relevant relativistic and electromagnetic effects involved in the problem. A very good agreement is found between the model and the results of particle-in-cell simulations. The implications of high-charge effects for the transport of the bunch are discussed in detail.

Lehe, R., E-mail: remi.lehe@ensta.fr; Thaury, C.; Lifschitz, A.; Rax, J.-M.; Malka, V. [Laboratoire d'Optique Applique, ENSTA-CNRS-Ecole Polytechnique, UMR 7639, 91761 Palaiseau (France)] [Laboratoire d'Optique Applique, ENSTA-CNRS-Ecole Polytechnique, UMR 7639, 91761 Palaiseau (France)

2014-04-15T23:59:59.000Z

134

Computation of the free energy due to electron density fluctuation of a solute in solution: A QM/MM method with perturbation approach combined with a theory of solutions  

SciTech Connect

We developed a perturbation approach to compute solvation free energy ?? within the framework of QM (quantum mechanical)/MM (molecular mechanical) method combined with a theory of energy representation (QM/MM-ER). The energy shift ? of the whole system due to the electronic polarization of the solute is evaluated using the second-order perturbation theory (PT2), where the electric field formed by surrounding solvent molecules is treated as the perturbation to the electronic Hamiltonian of the isolated solute. The point of our approach is that the energy shift ?, thus obtained, is to be adopted for a novel energy coordinate of the distribution functions which serve as fundamental variables in the free energy functional developed in our previous work. The most time-consuming part in the QM/MM-ER simulation can be, thus, avoided without serious loss of accuracy. For our benchmark set of molecules, it is demonstrated that the PT2 approach coupled with QM/MM-ER gives hydration free energies in excellent agreements with those given by the conventional method utilizing the Kohn-Sham SCF procedure except for a few molecules in the benchmark set. A variant of the approach is also proposed to deal with such difficulties associated with the problematic systems. The present approach is also advantageous to parallel implementations. We examined the parallel efficiency of our PT2 code on multi-core processors and found that the speedup increases almost linearly with respect to the number of cores. Thus, it was demonstrated that QM/MM-ER coupled with PT2 deserves practical applications to systems of interest.

Suzuoka, Daiki; Takahashi, Hideaki, E-mail: hideaki@m.tohoku.ac.jp; Morita, Akihiro [Department of Chemistry, Graduate School of Science, Tohoku University, Sendai Miyagi 980-8578 (Japan)] [Department of Chemistry, Graduate School of Science, Tohoku University, Sendai Miyagi 980-8578 (Japan)

2014-04-07T23:59:59.000Z

135

Exploring size and state dynamics in CdSe quantum dots using two-dimensional electronic spectroscopy  

SciTech Connect

Development of optoelectronic technologies based on quantum dots depends on measuring, optimizing, and ultimately predicting charge carrier dynamics in the nanocrystal. In such systems, size inhomogeneity and the photoexcited population distribution among various excitonic states have distinct effects on electron and hole relaxation, which are difficult to distinguish spectroscopically. Two-dimensional electronic spectroscopy can help to untangle these effects by resolving excitation energy and subsequent nonlinear response in a single experiment. Using a filament-generated continuum as a pump and probe source, we collect two-dimensional spectra with sufficient spectral bandwidth to follow dynamics upon excitation of the lowest three optical transitions in a polydisperse ensemble of colloidal CdSe quantum dots. We first compare to prior transient absorption studies to confirm excitation-state-dependent dynamics such as increased surface-trapping upon excitation of hot electrons. Second, we demonstrate fast band-edge electron-hole pair solvation by ligand and phonon modes, as the ensemble relaxes to the photoluminescent state on a sub-picosecond time-scale. Third, we find that static disorder due to size polydispersity dominates the nonlinear response upon excitation into the hot electron manifold; this broadening mechanism stands in contrast to that of the band-edge exciton. Finally, we demonstrate excitation-energy dependent hot-carrier relaxation rates, and we describe how two-dimensional electronic spectroscopy can complement other transient nonlinear techniques.

Caram, Justin R.; Zheng, Haibin; Rolczynski, Brian S.; Griffin, Graham B.; Engel, Gregory S., E-mail: gsengel@uchicago.edu [Department of Chemistry, The Institute for Biophysical Dynamics, and The James Franck Institute, The University of Chicago, Chicago, Illinois 60637 (United States); Dahlberg, Peter D. [Graduate Program in the Biophysical Sciences, The Institute for Biophysical Dynamics, and The James Franck Institute, The University of Chicago, Chicago, Illinois 60637 (United States)] [Graduate Program in the Biophysical Sciences, The Institute for Biophysical Dynamics, and The James Franck Institute, The University of Chicago, Chicago, Illinois 60637 (United States); Dolzhnikov, Dmitriy S.; Talapin, Dmitri V. [Department of Chemistry and The James Franck Institute, The University of Chicago, Chicago, Illinois 60637 (United States)] [Department of Chemistry and The James Franck Institute, The University of Chicago, Chicago, Illinois 60637 (United States)

2014-02-28T23:59:59.000Z

136

Single-Particle Dynamics in Electron Storage Rings with Extremely Low Emittance  

SciTech Connect

Electron storage rings are widely used for high luminosity colliders, damping rings in high-energy linear colliders, and synchrotron light sources. They have become essential facilities to study high-energy physics and material and medical sciences. To further increase the luminosity of colliders or the brightness of synchrotron light sources, the beam emittance is being continually pushed downward, recently to the nanometer region. In the next decade, another order of reduction is expected. This requirement of ultra-low emittance presents many design challenges in beam dynamics, including better analysis of maps and improvement of dynamic apertures. To meet these challenges, we have refined transfer maps of common elements in storage rings and developed a new method to compute the resonance driving terms as they are built up along a beamline. The method is successfully applied to a design of PEP-X as a future light source with 100-pm emittance. As a result, we discovered many unexpected cancelations of the fourth-order resonance terms driven by sextupoles within an achromat.

Cai, Yunhai; /SLAC

2011-05-31T23:59:59.000Z

137

Solvation Structure and Mobility Mechanism of OH-:? A Car?Parrinello Molecular Dynamics Investigation of Alkaline Solutions  

Science Journals Connector (OSTI)

Solvation Structure and Mobility Mechanism of OH-:? A Car?Parrinello Molecular Dynamics Investigation of Alkaline Solutions ... Figure 17 Comparison of power spectra derived from deuterium velocity autocorrelation functions for pure water (dashed lines in both panels a and b), KOD (panel a) at 1.3 M (solid line) and 14 M (dotted line), and NaOD (panel b) at 1.5 M (solid line), 4.5 M (diamonds), and 15 M (dotted line). ... energy structure on the potential energy surface, because the water drifts to become attached to one of the first solvation shell waters. ...

Bin Chen; Ivaylo Ivanov; Jung Mee Park; Michele Parrinello; Michael L. Klein

2002-10-24T23:59:59.000Z

138

Electron cyclotron resonance near the axis of the gas-dynamic trap  

SciTech Connect

Propagation of an extraordinary electromagnetic wave in the vicinity of electron cyclotron resonance surface in an open linear trap is studied analytically, taking into account inhomogeneity of the magnetic field in paraxial approximation. Ray trajectories are derived from a reduced dispersion equation that makes it possible to avoid the difficulty associated with a transition from large propagation angles to the case of strictly longitudinal propagation. Our approach is based on the theory, originally developed by Zvonkov and Timofeev [Sov. J. Plasma Phys. 14, 743 (1988)], who used the paraxial approximation for the magnetic field strength, but did not consider the slope of the magnetic field lines, which led to considerable error, as has been recently noted by Gospodchikov and Smolyakova [Plasma Phys. Rep. 37, 768-774 (2011)]. We have found ray trajectories in analytic form and demonstrated that the inhomogeneity of both the magnetic field strength and the field direction can qualitatively change the picture of wave propagation and significantly affect the efficiency of electron cyclotron heating of a plasma in a linear magnetic trap. Analysis of the ray trajectories has revealed a criterion for the resonance point on the axis of the trap to be an attractor for the ray trajectories. It is also shown that a family of ray trajectories can still reach the resonance point on the axis if the latter generally repels the ray trajectories. As an example, results of general theory are applied to the electron cyclotron resonance heating experiment which is under preparation on the gas dynamic trap in the Budker Institute of Nuclear Physics [Shalashov et al., Phys. Plasmas 19, 052503 (2012)].

Bagulov, D. S. [Novosibirsk State University, Pirogova Street 2, Novosibirsk (Russian Federation); Kotelnikov, I. A. [Novosibirsk State University, Pirogova Street 2, Novosibirsk (Russian Federation); Budker Institute of Nuclear Physics of the Siberian Branch of the Russian Academy of Sciences, Akademika Lavrentyeva Prospect 11, 630090 Novosibirsk (Russian Federation)

2012-08-15T23:59:59.000Z

139

Multisoliton solutions in terms of double Wronskian determinant for a generalized variable-coefficient nonlinear Schroedinger equation from plasma physics, arterial mechanics, fluid dynamics and optical communications  

SciTech Connect

In this paper, the multisoliton solutions in terms of double Wronskian determinant are presented for a generalized variable-coefficient nonlinear Schroedinger equation, which appears in space and laboratory plasmas, arterial mechanics, fluid dynamics, optical communications and so on. By means of the particularly nice properties of Wronskian determinant, the solutions are testified through direct substitution into the bilinear equations. Furthermore, it can be proved that the bilinear Baecklund transformation transforms between (N - 1)- and N-soliton solutions.

Lue Xing [School of Science, P.O. Box 122, Beijing University of Posts and Telecommunications, Beijing 100876 (China)], E-mail: xinglv655@yahoo.com.cn; Zhu Hongwu; Yao Zhenzhi; Meng Xianghua; Zhang Cheng [School of Science, P.O. Box 122, Beijing University of Posts and Telecommunications, Beijing 100876 (China); Zhang Chunyi [Ministry-of-Education Key Laboratory of Fluid Mechanics and National Laboratory for Computational Fluid Dynamics, Beijing University of Aeronautics and Astronautics, Beijing 100083 (China); Meteorology Center of Air Force Command Post, Changchun 130051 (China); Tian Bo [School of Science, P.O. Box 122, Beijing University of Posts and Telecommunications, Beijing 100876 (China); State Key Laboratory of Software Development Environment, Beijing University of Aeronautics and Astronautics, Beijing 100083 (China); Key Laboratory of Optical Communication and Lightwave Technologies, Ministry of Education, Beijing University of Posts and Telecommunications, Beijing 100876 (China)], E-mail: gaoyt@public.bta.net.cn

2008-08-15T23:59:59.000Z

140

Electron  

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to measure the electron density gradient and its fluctuations. Two separate laser beams with slight spatial offset and frequency difference are coupled into a single mixer...

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While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


141

Numerical solutions of the variational equations for sandpile dynamics T. Elperin* and A. Vikhansky  

E-Print Network (OSTI)

numerical procedure is applied for the investigation of the pile growth on a number of rigid support in numerous technological applications and naturally occurring phenomena, e.g., bulk solids handling for the solution of these variational inequalities. The devel- oped procedure is applied for the investigation

Elperin, Tov

142

Closed-form Solutions to a Subclass of Continuous Stochastic Games via Symbolic Dynamic Programming  

E-Print Network (OSTI)

: a continuous state generalisation of matching pennies, binary option valuation and robust energy production optimisation, a problem for which closed- form solutions are generally unavailable. We present an exact closed stochastic games provide a convenient framework with which to model robust sequential optimisation in ad

Sanner, Scott

143

Neutron?Scattering Investigation of the Dynamics of H 2 O Molecules in Ionic Solutions  

Science Journals Connector (OSTI)

Intermolecular frequencies (below 900 cm?1) and diffusive motions of H 2 O molecules in ionic solutions relative to water were investigated by slow neutron scattering as function of ionic size charge and concentrations and of the temperature. For solutions containing small or highly charged ions (e.g. LaCl 3 MgCl 2 LiCl and KF) vibrations which intensify with increasing concentration appear at similar frequencies to the ion?water librational and stretching frequencies of the corresponding solid hydrates. In contrast solutions containing large singly charged ions (e.g. CsCl ?KCl ) show new frequencies but these are comparatively broader and weaker. At 1 and 25C the diffusive kinetics generally follow a delayed diffusion mechanism. Small or highly charged ions decrease the self?diffusion coefficient and increase the residence time relative to water. The low charge?to?radius ions have the inverse effect. At higher temperatures the diffusion kinetics depart from the delayed diffusion behavior. [Work supported by the Office of Saline Water Department of the Interior.

G. J. Safford; P. S. Leung; A. W. Naumann; P. C. Schaffer

1969-01-01T23:59:59.000Z

144

An infrared free-electron laser for the Chemical Dynamics Research Laboratory. Design report  

SciTech Connect

This document describes a free-electron laser (FEL) proposed as part of the Chemical Dynamics Research Laboratory (CDRL), a user facility that also incorporates several advanced lasers of conventional design and two beamlines for the ALS. The FEL itself addresses the needs of the chemical sciences community for a high-brightness, tunable source covering a broad region of the infrared spectrum -- from 3 to 50 {mu}m. All of these sources, together with a variety of sophisticated experimental stations, will be housed in a new building to be located adjacent to the ALS. The radiation sources can be synchronized to permit powerful two-color, pump-probe experiments that will further our fundamental understanding of chemical dynamics at the molecular level, especially those aspects relevant to practical issues in combustion chemistry. The technical approach adopted in this design makes use of superconducting radiofrequency (SCRF) accelerating structures. The primary motivation for adopting this approach was to meet the user requirement for wavelength stability equal to one part in 10{sup 4}. Previous studies concluded that a wavelength stability of only one part in 10{sup 3} could be achieved with currently available room-temperature technology. In addition, the superconducting design operates in a continuous-wave (cw) mode and hence offers considerably higher average optical output power. It also allows for various pulse-gating configurations that will permit simultaneous multiuser operations. A summary of the comparative performance attainable with room-temperature and superconducting designs is given. The FEL described in this report provides a continuous train of 30-ps micropulses, with 100{mu}J of optical energy per micropulse, at a repetition rate of 6.1 MHz. The device can also deliver pulses at a cw repetition rate of 12.2 MHz, with a peak power of 50 {mu}J per micropulse. 70 ref.

Vaughan, D. [comp.

1992-04-01T23:59:59.000Z

145

An infrared free-electron laser for the Chemical Dynamics Research Laboratory  

SciTech Connect

This document describes a free-electron laser (FEL) proposed as part of the Chemical Dynamics Research Laboratory (CDRL), a user facility that also incorporates several advanced lasers of conventional design and two beamlines for the ALS. The FEL itself addresses the needs of the chemical sciences community for a high-brightness, tunable source covering a broad region of the infrared spectrum -- from 3 to 50 {mu}m. All of these sources, together with a variety of sophisticated experimental stations, will be housed in a new building to be located adjacent to the ALS. The radiation sources can be synchronized to permit powerful two-color, pump-probe experiments that will further our fundamental understanding of chemical dynamics at the molecular level, especially those aspects relevant to practical issues in combustion chemistry. The technical approach adopted in this design makes use of superconducting radiofrequency (SCRF) accelerating structures. The primary motivation for adopting this approach was to meet the user requirement for wavelength stability equal to one part in 10{sup 4}. Previous studies concluded that a wavelength stability of only one part in 10{sup 3} could be achieved with currently available room-temperature technology. In addition, the superconducting design operates in a continuous-wave (cw) mode and hence offers considerably higher average optical output power. It also allows for various pulse-gating configurations that will permit simultaneous multiuser operations. A summary of the comparative performance attainable with room-temperature and superconducting designs is given. The FEL described in this report provides a continuous train of 30-ps micropulses, with 100{mu}J of optical energy per micropulse, at a repetition rate of 6.1 MHz. The device can also deliver pulses at a cw repetition rate of 12.2 MHz, with a peak power of 50 {mu}J per micropulse. 70 ref.

Vaughan, D. (comp.)

1992-04-01T23:59:59.000Z

146

Electron  

NLE Websites -- All DOE Office Websites (Extended Search)

Electron thermal transport within magnetic islands in the reversed-field pinch a... H. D. Stephens, 1,b D. J. Den Hartog, 1,3 C. C. Hegna, 1,2 and J. A. Reusch 1 1 Department of...

147

A heuristic algorithm for analytic solution of dynamic multiproduct liquid inventory systems considering shared storage  

E-Print Network (OSTI)

, . are assigned sequenti. ally to the products associated with the Kj ordered utili zatio? rates U 18 CHAPTER IV SOME SOLVED PROBLFHS The purpose of this chapter is to present the solution to several example problems. The first of these is the problem solved...A JJEURISTIC A!CORI'1 !F 1 F(J!1 ANALYTIC SOLJJ'1'10N 01" DYNAJlJC MJJITIPRODUCT J, ICJUIJJ INVE!iTORY SYSTEMS CONSIDJ:RING SJ!ARJ. :D STOJJAG!1 A Tncsis hy Joel Andre Massell Suhmi tted to tne Graouate College of the Texas API University...

Hassell, Joel Andre

2012-06-07T23:59:59.000Z

148

Numerical calculation of dynamical friction in electron cooling systems, including magnetic field perturbations and finite time effects  

SciTech Connect

The orders-of-magnitude higher luminosities required by future electron-ion collider concepts require a dissipative force to counteract the numerous factors acting to gradually increase the phase space volume of relativistic ion beams. High-energy electron cooling systems could provide the necessary dissipation via dynamical friction, but will have to be designed for new parameter regimes. It is expected that magnetic field errors, finite interaction time and other effects will reduce the dynamical friction and hence increase the cooling time, so improved understanding of the underlying dynamics is important. We present a generalized form of the classical field-free friction force equation, which conveniently captures some of these effects. Previous work (Bell et al 2008 J. Comput. Phys. 227 8714) shows both numerical and conceptual subtleties associated with undersampling of strong collisions, and we present a rigorous mathematical treatment of such difficulties, based on the use of a modified Pareto distribution for the electron-ion impact parameters. We also present a very efficient numerical algorithm for calculating the dynamical friction on a single ion in the field free case. For the case of arbitrary magnetic field errors, we present numerical simulation results, showing agreement with our generalized friction force formula.

Sobol, A.V.; Fedotov, A.; Bruhwiler, D.L.; Bell, G.I.; Litvinenko, V.

2010-09-24T23:59:59.000Z

149

Electron-nuclear dynamics of the one-electron nonlinear polyatomic molecule H32+ in ultrashort intense laser pulses  

Science Journals Connector (OSTI)

A quantum description of the one-electron triangular H32+ molecular ion, beyond the Born-Oppenheimer approximation, is used to study the full influence of the nuclear motion on the high-intensity photoionization and harmonic generation processes. A detailed analysis of electron and proton motions and their time-dependent acceleration allows for identification of the main electron recollision events as a function of time-dependent configuration of the protons. High-order-harmonic generation photons are shown to be produced by single-electron recollision in the second half of the pulse envelope, which also induces a redshift in the harmonics, due to the rapid few-femtosecond motions of protons. Perpendicular harmonics are produced, in general, with a linearly polarized laser pulse parallel to a bond of the triangular molecule, and, in particular, the harmonics in the cutoff region are elliptically polarized. When the laser-pulse polarization is parallel to a symmetry axis of the triangular molecular ion, creation and destruction of the chemical bond perpendicular to the polarization is predicted on a near-femtosecond time scale.

C. Lefebvre; H. Z. Lu; S. Chelkowski; A. D. Bandrauk

2014-02-06T23:59:59.000Z

150

Dynamic model for the economical evaluation of different technical solutions for reducing naval emissions  

Science Journals Connector (OSTI)

The new regulations for the prevention of marine pollution are compelling the shipping industry to a change of strategy. This research provides an economical analysis of the short term alternative options for ship owners: to fit exhaust gas cleaning system on board using heavy fuel oil; to burn marine gas oil or to switch from heavy fuel oil to low sulphur fuel entering emissions controlled areas. An economic evaluation model of investments has been developed in order to compare the different solutions. Based on technical data of engines and operative vessel profiles, the model provides possible measurement tools to consider for the investment choice in the defined reference scenario. Different scenarios can be created by modifying investment conditions, environmental regulations and fuel price forecasts. The results of the model application to three real vessels of different types encourage the ship owners to adopt the option of the seawater scrubber.

Valentina Ciatteo; Giancarlo Giacchetta; Barbara Marchetti

2014-01-01T23:59:59.000Z

151

Electron  

Science Journals Connector (OSTI)

Absolute grand total cross sections(TCSs) for electron-disilane (Si2H6) scattering have been measured over the energy range from 1 to 370eV in a linear transmission experiment. The low-energy TCS is dominated by a broad resonant-like enhancement. In the region of the maximum the present grand TCS values appeared to be distinctly lower than previously reported integral elastic cross section data. A comparison of total electron scattering cross sections for the two simplest silicon hydrides and relevant hydrocarbons is given.

Czeslaw Szmytkowski; Pawel Mozejko; Grzegorz Kasperski

2001-01-01T23:59:59.000Z

152

Insight into threshold dynamics of two-electron escape from electron-impact ionization spin-asymmetry studies of valence-one atoms  

SciTech Connect

The conventional description of the behavior of two-electron escape near threshold is usually summarized by the Wannier power law, {sigma}=aE{sup {eta}}+bE{sup 2{eta}}, for the ionization cross section, {sigma}, as a function of the total escape energy, E, where a and b are constants and {eta}=1.127 for a residual ionic core of unit charge. It is known that departures from this simple formalism occur as a result of dynamical influences on the inside part of the two-electron wave function and that these departures can be observed through spin-dependent ionization measurements. Comparative studies of impact ionization asymmetries for H, He, Li, Na, K, and Cs now reveal the striking influence of the ionic core on the double-escape process.

Lubell, M.S.

1993-05-01T23:59:59.000Z

153

Direct role of structural dynamics in electron-lattice coupling of superconducting cuprates  

Science Journals Connector (OSTI)

...conventional superconductors; for them, loss of the electric resistance is due to phonon-mediated electron pairing...heating of the electron and phonon subsystems in an elementary metal. Its success is the result of the isotropic...

Fabrizio Carbone; Ding-Shyue Yang; Enrico Giannini; Ahmed H. Zewail

2008-01-01T23:59:59.000Z

154

Excess electron relaxation dynamics at water/air interfaces dm Madarsz  

E-Print Network (OSTI)

of the relaxation of a ground state excess electron at interfaces of different phases of water with air with the surrounding water bath. The systems exhibiting the most stable SB excess electron states supercooled water to contain double acceptor-type water molecules in the close vicinity of the electron. These surface states

Simons, Jack

155

A master equation approach to the dynamics of zero electron kinetic energy (ZEKE) states and ZEKE spectroscopy  

SciTech Connect

We have theoretically studied important dynamic processes involved in zero electron kinetic energy (ZEKE) spectroscopy using the density matrix method with the inverse Born-Oppenheimer approximation basis sets. In ZEKE spectroscopy, the ZEKE Rydberg states are populated by laser excitation (either a one- or two-photon process), which is followed by autoionizations and l-mixing due to a stray field. The discrimination field is then applied to ionize loosely bound electrons in the ZEKE states. This is followed by using the extraction field to extract electrons from the ZEKE levels which have a strength comparable to that of the extraction field. These extracted electrons are measured for the relative intensities of the ion states under investigation. The spectral positions are determined by the applied laser wavelength and modified by the extraction electric field. In this paper, all of these processes are conducted within the context of the density matrix method. The density matrix method can provide not only the dynamics of system's population and coherence (or phase) but also the rate constants of the processes involved in the ZEKE spectroscopy. Numerical examples are given to demonstrate the theoretical treatments.

Wang, Yi-Hsieh [Institute of Chemistry, Academia Sinica, Taipei 115, Taiwan (China); Mineo, H.; Chao, S. D. [Institute of Applied Mechanics, National Taiwan University, Taipei 106, Taiwan (China); Selzle, H. L.; Neusser, H. J.; Schlag, E. W. [Institut fuer Physikalische und Theoretische Chemie, Technische Universitaet Muenchen, Lichtenbergstr. 4, D-85748 Garching (Germany); Teranishi, Y. [Institute of Applied Chemistry, Institute of Molecular Science, Chiao-Tung University, Hsin-Chu, Taiwan (China); Lin, S. H. [Institute of Chemistry, Academia Sinica, Taipei 115, Taiwan (China); Institute of Applied Chemistry, Institute of Molecular Science, Chiao-Tung University, Hsin-Chu, Taiwan (China); Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 106, Taiwan (China)

2011-02-14T23:59:59.000Z

156

Numerical solutions of sheath structures in front of an electron-emitting electrode immersed in a low-density plasma  

SciTech Connect

The exact theoretical expressions involved in the formation of sheath in front of an electron emitting electrode immersed in a low-density plasma have been derived. The potential profile in the sheath region has been calculated for subcritical, critical, and supercritical emissions. The potential profiles of critical and supercritical emissions reveals that we must take into account a small, instead of zero, electric field at the sheath edge to satisfy the boundary conditions used to integrate the Poisson's equation. The I-V curves for critical emission shows that only high values of plasma-electron to emitted-electron temperature ratio can meet the floating potential of the emissive electrode. A one-dimensional fluid like model is assumed for ions, while the electron species are treated as kinetic. The distribution of emitted-electron from the electrode is assumed to be half Maxwellian. The plasma-electron enters the sheath region at sheath edge with half Maxwellian velocity distribution, while the reflected ones have cut-off velocity distribution due to the absorption of super thermal electrons by the electrode. The effect of varying emitted-electron current on the sheath structure has been studied with the help of a parameter G (the ratio of emitted-electron to plasma-electron densities)

Din, Alif [Theoretical Plasma Physics Division, PINSTECH, P. O. Nilore, 44000 Islamabad (Pakistan)] [Theoretical Plasma Physics Division, PINSTECH, P. O. Nilore, 44000 Islamabad (Pakistan)

2013-09-15T23:59:59.000Z

157

HIV-1 TAT IS A NATIVELY UNFOLDED PROTEIN: THE SOLUTION CONFORMATION AND DYNAMICS OF REDUCED HIV-1 TAT1-72 BY NMR  

E-Print Network (OSTI)

1 HIV-1 TAT IS A NATIVELY UNFOLDED PROTEIN: THE SOLUTION CONFORMATION AND DYNAMICS OF REDUCED HIV-1 59 nucleotides of the HIV-1 RNA (4). Tat stimulates elongation of full-length transcripts implicated in HIV-1 latency (1). Tat may also be involved in derepression of heterochromatin, transcription

O'Neil, Joe

158

Electronic  

NLE Websites -- All DOE Office Websites (Extended Search)

contribution contribution to friction on GaAs: An atomic force microscope study Yabing Qi, 1,2 J. Y. Park, 2 B. L. M. Hendriksen, 2 D. F. Ogletree, 2 and M. Salmeron 2,3 1 Applied Science and Technology Graduate Group, University of California, Berkeley, California 94720, USA 2 Materials Sciences Division, Lawrence Berkeley National Laboratory, University of California, Berkeley, California 94720, USA 3 Department of Materials Sciences and Engineering, University of California, Berkeley, California 94720, USA ͑Received 23 January 2008; revised manuscript received 11 April 2008; published 7 May 2008͒ The electronic contribution to friction at semiconductor surfaces was investigated by using a Pt-coated tip with 50 nm radius in an atomic force microscope sliding against an n-type GaAs͑100͒ substrate. The GaAs surface was covered by an approximately 1 nm thick oxide layer. Charge accumulation

159

A joint x-ray and neutron study on amicyanin reveals the role of protein dynamics in electron transfer  

SciTech Connect

The joint x-ray/neutron diffraction model of the Type I copper protein, amicyanin from Paracoccus denitrificans was determined at 1.8 {angstrom} resolution. The protein was crystallized using reagents prepared in D{sub 2}O. About 86% of the amide hydrogen atoms are either partially or fully exchanged, which correlates well with the atomic depth of the amide nitrogen atom and the secondary structure type, but with notable exceptions. Each of the four residues that provide copper ligands is partially deuterated. The model reveals the dynamic nature of the protein, especially around the copper-binding site. A detailed analysis of the presence of deuterated water molecules near the exchange sites indicates that amide hydrogen exchange is primarily due to the flexibility of the protein. Analysis of the electron transfer path through the protein shows that residues in that region are highly dynamic, as judged by hydrogen/deuterium exchange. This could increase the rate of electron transfer by transiently shortening through-space jumps in pathways or by increasing the atomic packing density. Analysis of C-H{hor_ellipsis}X bonding reveals previously undefined roles of these relatively weak H bonds, which, when present in sufficient number can collectively influence the structure, redox, and electron transfer properties of amicyanin.

Sukumar, N.; Mathews, F.S.; Langan, P.; Davidson, V.L. (Cornell); (UMMC); (WU-MED); (LANL)

2010-06-21T23:59:59.000Z

160

Hybrid DFT Functional-Based Static and Molecular Dynamics Studies of Excess Electron in Liquid Ethylene Carbonate  

SciTech Connect

We applied static and dynamic hybrid functional density functional theory (DFT) calculations to study the interactions of one and two excess electrons with ethylene carbonate (EC) liquid and clusters. Optimal structures of (EC){sub n} and (EC){sup ?}{sub n} clusters devoid of Li{sub +} ions, n?=?16, were obtained. The excess electron was found to be localized on a single EC in all cases, and the EC dimeric radical anion exhibits a reduced barrier associated with the breaking of the ethylene carbonoxygen covalent bond compared to EC{sub ?}. In ab initio molecular dynamics (AIMD) simulations of EC{sub ?} solvated in liquid EC, large fluctuations in the carbonyl carbonoxygen bond lengths were observed. AIMD simulations of a two-electron attack on EC in EC liquid and on Li metal surfaces yielded products similar to those predicted using nonhybrid DFT functionals, except that CO release did not occur for all attempted initial configurations in the liquid state.

Yu, J M; Balbuena, P B; Budzien, J L; Leung, Kevin

2011-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "dynamic electron solutions" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


161

Modeling and simulation of longitudinal dynamics for Low Energy RingHigh Energy Ring at the Positron-Electron Project  

Science Journals Connector (OSTI)

A time domain dynamic modeling and simulation tool for beam-cavity interactions in the Low Energy Ring (LER) and High Energy Ring (HER) at the Positron-Electron Project (PEP-II) is presented. Dynamic simulation results for PEP-II are compared to measurements of the actual machine. The motivation for this tool is to explore the stability margins and performance limits of PEP-II radio-frequency (RF) systems at future higher currents and upgraded RF configurations. It also serves as a test bed for new control algorithms and can define the ultimate limits of the low-level RF (LLRF) architecture. The time domain program captures the dynamic behavior of the beam-cavity-LLRF interaction based on a reduced model. The ring current is represented by macrobunches. Multiple RF stations in the ring are represented via one or two macrocavities. Each macrocavity captures the overall behavior of all the 2 or 4 cavity RF stations. Station models include nonlinear elements in the klystron and signal processing. This enables modeling the principal longitudinal impedance control loops interacting via the longitudinal beam model. The dynamics of the simulation model are validated by comparing the measured growth rates for the LER with simulation results. The simulated behavior of the LER at increased operation currents is presented via low-mode instability growth rates. Different control strategies are compared and the effects of both the imperfections in the LLRF signal processing and the nonlinear drivers and klystrons are explored.

C. Rivetta; T. Mastorides; J. D. Fox; D. Teytelman; D. Van Winkle

2007-02-21T23:59:59.000Z

162

Comment on 'Dynamics of an electron driven by relativistically intense laser radiation' [Phys. Plasmas 15, 023104 (2008)  

SciTech Connect

Galkin et al. [Phys. Plasmas 15, 023104 (2008)] presented the comparison of the electron dynamics in the cases of the linear and circular polarizations of the optical fields. They assume that the longitudinal component of the laser field can be neglected in the case of longitudinal displacement less than the Rayleigh range. In this comment, we point out that the longitudinal component must be considered for the minimum spot size less than 10 times wavelength for linearly polarized laser pulse and for the minimum spot size less than 15 times wavelength for circularly polarized laser pulse.

Tian Youwei; Bao Gang; Zheng Ying; Yang Jianping [College of Science, Nanjing University of Posts and Telecommunications, Nanjing 210046 (China); Yu Wei; Wang Xin [State Key Laboratory of High Field Laser Physics, Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800 (China)

2010-06-15T23:59:59.000Z

163

Beam dynamics study of a 30?MeV electron linear accelerator to drive a neutron source  

SciTech Connect

An experimental neutron facility based on 32?MeV/18.47?kW electron linac has been studied by means of PARMELA simulation code. Beam dynamics study for a traveling wave constant gradient electron accelerator is carried out to reach the preferential operation parameters (E?=?30?MeV, P?=?18?kW, dE/E?electron energy is required to produce acceptable neutron flux. The final neutron flux is estimated to be 5??10{sup 11}?n/cm{sup 2}/s/mA. Future development will be the real design of a 30?MeV electron linac based on S band traveling wave.

Kumar, Sandeep; Yang, Haeryong; Kang, Heung-Sik, E-mail: hskang@postech.ac.kr [Pohang Accelerator Laboratory, San31, Hyoja-dong, Pohang, Gyeongbuk 790-784 (Korea, Republic of)

2014-02-14T23:59:59.000Z

164

Electron dynamics of the buffer layer and bilayer graphene on SiC  

SciTech Connect

Angle- and time-resolved two-photon photoemission (TPPE) was used to investigate electronic states in the buffer layer of 4H-SiC(0001). An image potential state (IPS) series was observed on this strongly surface-bound buffer layer, and dispersion measurements indicated free-electron-like behavior for all states in this series. These results were compared with TPPE taken on bilayer graphene, which also show the existence of a free-electron-like IPS series. Lifetimes for the n?=?2, and n?=?3 states were obtained from time-resolved TPPE; slightly increased lifetimes were observed in the bilayer graphene sample for the n?=?2 the n?=?3 states. Despite the large band gap of graphene at the center of the Brillouin zone, the lifetime results demonstrate that the graphene layers do not behave as a simple tunneling barrier, suggesting that the buffer layer and graphene overlayers play a direct role in the decay of IPS electrons.

Shearer, Alex J.; Caplins, Benjamin W.; Suich, David E.; Harris, Charles B., E-mail: cbharris@berkeley.edu [Department of Chemistry, University of California at Berkeley, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Johns, James E. [Department of Chemistry, University of Minnesota Twin Cities, Minneapolis, Minnesota 55455 (United States); Hersam, Mark C. [Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208 (United States); Department of Chemistry, Northwestern University, Evanston, Illinois 60208 (United States)

2014-06-09T23:59:59.000Z

165

The electron-spin-nuclear-spin interaction studied by polarized neutron scattering  

Science Journals Connector (OSTI)

The directional properties of electron-proton spin interaction in an external magnetic field give rise to an anisotropic distribution of the intensity of polarized neutron scattering from dynamically polarized protons of radical molecules in solution.

Stuhrmann, H.B.

2007-11-01T23:59:59.000Z

166

Dynamics of ion acoustic double layers in a magnetized two-population electrons plasma  

SciTech Connect

The obliquely propagating ion acoustic (IA) double-layers are investigated in a magnetized two population electron plasmas. The extended Kortewegde Vries equation is derived by using the reductive perturbation technique. The effect of obliqueness (l{sub z}) and magnitude of the external magnetic field (?{sub ci}), as well as the electron number density (?) on the double-layer profile, is studied, and then the ranges of parameters for which the double-layers exist are investigated in detail. We found that the combined effects of l{sub z}, ?{sub ci}, and ? significantly modify the basic properties (viz. amplitude and width) of the IA double-layers.

Shahmansouri, M. [Department of Physics, Faculty of Science, Arak University, Arak 38156-8-8349 (Iran, Islamic Republic of)] [Department of Physics, Faculty of Science, Arak University, Arak 38156-8-8349 (Iran, Islamic Republic of)

2013-10-15T23:59:59.000Z

167

Mesoscopic structuring and dynamics of alcohol/water solutions probed by Terahertz Time-Domain Spectroscopy and Pulsed Field Gradient Nuclear Magnetic Resonance  

E-Print Network (OSTI)

in the structure of alcohol/water mixtures. Taking aqueous ethanol as a representative example, excess enthalpy, heat capacity, diffusivity, and viscosity all exhibit maxima or minima at ?15?20 mol %;12,16,20?23 this is attributable to Received: March 20, 2014... dielectric spectroscopy and the results were compared to femtosecond infrared pump? probe studies. By investigating a range of concentrations of aqueous tetramethylurea solutions it was found that the dynamics of the water molecules in close vicinity...

Li, Ruoyu; D'Agostino, Carmine; McGregor, James; Mantle, Michael D.; Zeitler, J. Axel; Gladden, Lynn F.

2014-08-12T23:59:59.000Z

168

Frequency dependent dynamical electromechanical response of mixed ionic-electronic conductors  

E-Print Network (OSTI)

) Structure and ion transport in Li3Fe2(PO4)3 synthesized by solution combustion technique J. Appl. Phys. 111, Department of Mechanical Engineering, Department of Chemical and Biomolecular Engineering, Clear Water Bay hysteresis-like loops with pronounced memory window, and butterfly-like curves are calculated

Chen, Long-Qing

169

Competitive Dynamics in Electronic Networks: A Model and the Case of Interorganizational Systems  

Science Journals Connector (OSTI)

Interorganizational systems (IOS)-distributed computing systems that support processes shared by two or more firms-have become fundamental to business operations, opening avenues to unprecedented collaborative linkages, even among competitors, and to ... Keywords: Co-Opetition Network, Competitive Action, Competitive Dynamics, Interorganizational Systems, Ios, Network Structure, Social Networks

Lei Chi; Clyde Holsapple; Cidambi Srinivasan

2007-04-01T23:59:59.000Z

170

Coupled electron and ion nonlinear oscillations in a collisionless plasma  

SciTech Connect

Dynamics of coupled electrostatic electron and ion nonlinear oscillations in a collisionless plasma is studied with reference to a kinetic description. Proceeding from the exact solution of Vlasov-Maxwell equations written as a function of linear functions in the electron and ion velocities, we arrive at the two coupled nonlinear equations which describe the evolution of the system.

Karimov, A. R. [Institute for High Temperatures, Russian Academy of Sciences, Izhorskaya 13/19, Moscow 127412, Russia and Department of Electrophysical Facilities, National Research Nuclear University MEPhI, Kashirskoye shosse 31, Moscow 115409 (Russian Federation)] [Institute for High Temperatures, Russian Academy of Sciences, Izhorskaya 13/19, Moscow 127412, Russia and Department of Electrophysical Facilities, National Research Nuclear University MEPhI, Kashirskoye shosse 31, Moscow 115409 (Russian Federation)

2013-05-15T23:59:59.000Z

171

THE JOURNAL OF CHEMICAL PHYSICS 135, 104110 (2011) Electron correlation via frozen Gaussian dynamics  

E-Print Network (OSTI)

-electron systems are rolled up into the correlation energy, also known as the stupidity energy.1 It has been@hunter.cuny.edu. trum of large systems such as the green fluorescent protein,5 or even candidates for solar cells,6 have progress for real-time dy- namics in non-perturbative fields has been slower. Three ma- jor obstacles

172

Nonadiabatic Molecular Dynamics Study of Electron Transfer from Alizarin to the Hydrated Ti4+ Ion  

E-Print Network (OSTI)

to the more costly traditional solar cell.1-5 It employs organic or transition-metal- based chromophores that forms the basis of the Gra¨tzel type solar cell. The experimental data and electronic structure The dye-sensitized nanocrystalline solar cell, also known as the Gra¨tzel cell, is a promising alternative

173

Dynamics of the electric current in an ideal electron gas: a sound mode inside the quasi-particles  

E-Print Network (OSTI)

We study the equation of motion for the Noether current in an electron gas within the framework of the Schwinger-Keldysh Closed-Time-Path formalism. The equation is shown to be highly non-linear and irreversible even for a non-interacting, ideal gas of electrons at non-zero density. We truncate the linearised equation of motion, written as the Laurent series in Fourier space, so that the resulting expressions are local in time, both at zero and at small finite temperatures. Furthermore, we show that the one-loop Coulomb interactions only alter the physical picture quantitatively, while preserving the characteristics of the dynamics that the electric current exhibits in the absence of interactions. As a result of the composite nature of the Noether current, composite sound waves are found to be the dominant IR collective excitations at length scales between the inverse Fermi momentum and the mean free path that would exist in an interacting electron gas. We also discuss the difference and the transition betwee...

Grozdanov, Sao

2015-01-01T23:59:59.000Z

174

Dynamics of the electric current in an ideal electron gas: a sound mode inside the quasi-particles  

E-Print Network (OSTI)

We study the equation of motion for the Noether current in an electron gas within the framework of the Schwinger-Keldysh Closed-Time-Path formalism. The equation is shown to be highly non-linear and irreversible even for a non-interacting, ideal gas of electrons at non-zero density. We truncate the linearised equation of motion, written as the Laurent series in Fourier space, so that the resulting expressions are local in time, both at zero and at small finite temperatures. Furthermore, we show that the one-loop Coulomb interactions only alter the physical picture quantitatively, while preserving the characteristics of the dynamics that the electric current exhibits in the absence of interactions. As a result of the composite nature of the Noether current, composite sound waves are found to be the dominant IR collective excitations at length scales between the inverse Fermi momentum and the mean free path that would exist in an interacting electron gas. We also discuss the difference and the transition between the hydrodynamical regime of an ideal gas, defined in this work, and the hydrodynamical regime in phenomenological hydrodynamics, which is normally used for the description of interacting gases.

Sao Grozdanov; Janos Polonyi

2015-01-26T23:59:59.000Z

175

Gyrokinetic and Gyrofluid Models for Zonal Flow Dynamics in Ion and Electron Temperature Gradient Turbulence  

SciTech Connect

Collisionless time evolution of zonal flows in ion and electron temperature gradient turbulence in toroidal plasmas is investigated. The responses of the zonal-flow potential to the initial perturbation and to the turbulence source are determined from the gyrokinetic equations combined with the Poisson equation, A novel gyrofluid model is presented, which properly describes the zonal-flow time evolution and reproduces the same residual zonal-flow levels as predicted by the gyrokinetic model.

Sugama, H.; Watanabe, T.-H. [National Institute for Fusion Science, Toki, Gifu, 509-5292 (Japan); Graduate University for Advanced Studies, Toki, Gifu, 509-5292 (Japan); Ferrando i Margalet, S. [National Institute for Fusion Science, Toki, Gifu, 509-5292 (Japan)

2006-11-30T23:59:59.000Z

176

Relativistic nonlinear dynamics of an intense laser beam propagating in a hot electron-positron magnetoactive plasma  

SciTech Connect

The present study is devoted to investigation of the nonlinear dynamics of an intense laser beam interacting with a hot magnetized electron-positron plasma. Propagation of the intense circularly polarized laser beam along an external magnetic field is studied using a relativistic two-fluid model. A modified nonlinear Schrdinger equation is derived based on the quasi-neutral approximation, which is valid for hot plasma. Light envelope solitary waves and modulation instability are studied, for one-dimensional case. Using a three-dimensional model, spatial-temporal development of laser pulse is investigated. Occurrence of some nonlinear phenomena such as self-focusing, self-modulation, light trapping, and filamentation of laser pulse is discussed. Also the effect of external magnetic field and plasma temperature on the nonlinear evolution of these phenomena is studied.

Sepehri Javan, N.; Adli, F. [Department of Physics, Faculty of Sciences, University of Mohaghegh Ardabili, P.O. Box 179, Ardabil 56199-11367 (Iran, Islamic Republic of)] [Department of Physics, Faculty of Sciences, University of Mohaghegh Ardabili, P.O. Box 179, Ardabil 56199-11367 (Iran, Islamic Republic of)

2013-06-15T23:59:59.000Z

177

Injection of Electrons and Holes into Nanostructures  

NLE Websites -- All DOE Office Websites (Extended Search)

Injection of Electrons and Holes into Nanostructures Injection of Electrons and Holes into Nanostructures This program targets fundamental understanding of nanoscale charge transfer processes. The proposed work draws on the strengths of the Brookhaven Chemistry Department in the areas of electron transfer experiment and theory, and extends the area of inquiry to nanoscale processes. Electron/hole injection into a wire, a nanocrystal, a nanotube or other nanostructure in solution may be brought about by light absorption, by an electron pulse (pulse radiolysis, LEAF), by a chemical reagent, or through an electrode. These processes are being studied by transient methods by following conductivity, current, but most generally, spectroscopic changes in the solutions to determine the dynamics of charge injection. The observed transient spectra can also provide values for electron-transfer coupling elements and energetics. Theoretical/computational studies can help in materials design and in the interpretation of the experimental results. The experimental systems being examined include molecular wires and metal nanoclusters.

178

Gas mixing system for imaging of nanomaterials under dynamic environments by environmental transmission electron microscopy  

SciTech Connect

A gas mixing manifold system that is capable of delivering a stable pressure stream of a desired composition of gases into an environmental transmission electron microscope has been developed. The system is designed to provide a stable imaging environment upon changes of either the composition of the gas mixture or upon switching from one gas to another. The design of the system is described and the response of the pressure inside the microscope, the sample temperature, and sample drift in response to flow and composition changes of the system are reported.

Akatay, M. Cem [School of Materials Engineering and Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States)] [School of Materials Engineering and Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States); Zvinevich, Yury; Ribeiro, Fabio H., E-mail: fabio@purdue.edu, E-mail: estach@bnl.gov [Forney Hall of Chemical Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Baumann, Philipp [Computer Sciences, University of Applied Sciences of Northeastern Switzerland, 4132 Muttenz, Switzerland and Department of Physics, Yeshiva University, New York, New York 10016 (United States)] [Computer Sciences, University of Applied Sciences of Northeastern Switzerland, 4132 Muttenz, Switzerland and Department of Physics, Yeshiva University, New York, New York 10016 (United States); Stach, Eric A., E-mail: fabio@purdue.edu, E-mail: estach@bnl.gov [Center for Functional Nanomaterials, Brookhaven National Laboratory, Upton, New York 11973 (United States)

2014-03-15T23:59:59.000Z

179

Probing the Degradation Mechanisms in Electrolyte Solutions for Li-ion Batteries by In-Situ Transmission Electron Microscopy  

SciTech Connect

One of the goals in the development of new battery technologies is to find new electrolytes with increased electrochemical stability. In-situ (scanning) transmission electron microscopy ((S)TEM) using an electrochemical fluid cell provides the ability to rapidly and directly characterize electrode/electrolyte interfacial reactions under battery relevant electrochemical conditions. Furthermore, as the electron beam itself causes a localized electrochemical reaction when it interacts with the electrolyte, the breakdown products that occur during the first stages of battery operation can potentially be simulated and characterized using a straightforward in-situ liquid stage (without electrochemical biasing capabilities). In this paper, we have studied the breakdown of a range of inorganic/salt complexes that are used in state-of-the-art Li-ion battery systems. The results of the in-situ (S)TEM experiments matches with previous stability tests performed during battery operation and the breakdown products and mechanisms are also consistent with known mechanisms. This analysis indicates that in-situ liquid stage (S)TEM observations can be used to directly test new electrolyte designs and provide structural insights into the origin of the solid electrolyte interphase (SEI) formation mechanism.

Abellan Baeza, Patricia; Mehdi, Beata L.; Parent, Lucas R.; Gu, Meng; Park, Chiwoo; Xu, Wu; Zhang, Yaohui; Arslan, Ilke; Zhang, Jiguang; Wang, Chong M.; Evans, James E.; Browning, Nigel D.

2014-02-21T23:59:59.000Z

180

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

SciTech Connect

Perhaps the most important aspect of contemporary condensed matter physics involves understanding strong Coulomb interactions between the large number of electrons in a solid. Electronic correlations lead to the emergence of new system properties, such as metal-insulator transitions, superconductivity, magneto-resistance, Bose-Einstein condensation, the formation of excitonic gases, or the integer and fractional Quantum Hall effects. The discovery of high-Tc superconductivity in particular was a watershed event, leading to dramatic experimental and theoretical advances in the field of correlated-electron systems. Such materials often exhibit competition between the charge, lattice, spin, and orbital degrees of freedom, whose cause-effect relationships are difficult to ascertain. Experimental insight into the properties of solids is traditionally obtained by time-averaged probes, which measure e.g., linear optical spectra, electrical conduction properties, or the occupied band structure in thermal equilibrium. Many novel physical properties arise from excitations out of the ground state into energetically higher states by thermal, optical, or electrical means. This leads to fundamental interactions between the system's constituents, such as electron-phonon and electron-electron interactions, which occur on ultrafast timescales. While these interactions underlie the physical properties of solids, they are often only indirectly inferred from time-averaged measurements. Time-resolved spectroscopy, consequently, is playing an ever increasing role to provide insight into light-matter interaction, microscopic processes, or cause-effect relationships that determine the physics of complex materials. In the past, experiments using visible and near-infrared femtosecond pulses have been extensively employed, e.g. to follow relaxation and dephasing processes in metals and semiconductors. However, many basic excitations in strongly-correlated electron systems and nanoscale materials occur at lower energies. The terahertz (THz) regime is particularly rich in such fundamental resonances. This includes ubiquitous lattice vibrations and low-energy collective oscillations of conduction charges. In nanoscale materials, band structure quantization also yields novel infrared and THz transitions, including intersubband absorption in quantum wells. The formation of excitons in turn leads to low-energy excitations analogous to inter-level transitions in atoms. In transition-metal oxides, fundamental excitation gaps arise from charge pairing into superconducting condensates and other correlated states. This motivates the use of ultrafast THz spectroscopy as a powerful tool to study light-matter interactions and microscopic processes in nanoscale and correlated-electron materials.A distinct advantage of coherent THz pulses is that the amplitude and phase of the electric field can be measured directly, as the THz fields are coherent with the fs pulses from which they are generated. Using THz time-domain spectroscopy (THz-TDS), both the real and imaginary parts of the response functions (such as the dielectric function) are obtained directly without the need for Kramers?Kronig transforms. The THz response can also be expressed in terms of absorption and refractive index, or as the optical conductivity. The optical conductivity describes the current response of a many-body system to an electric field, an ideal tool to study conducting systems. A second important advantage is the ultrafast time resolution that results from the short temporal duration of the THz time-domain sources. In particular, optical-pump THz-probe spectroscopy enables a delicate probe of the transient THz conductivity after optical photoexcitation. These experiments can provide insight into quasiparticle interactions, phase transitions, or nonequilibrium dynamics. In this chapter we will provide many such examples. Since THz spectroscopy of solids is a quickly expanding field

Kaindl, Robert A.; Averitt, Richard D.

2006-11-14T23:59:59.000Z

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181

Photoluminescence Blinking Dynamics of Colloidal Quantum Dots in the Presence of Controlled External Electron Traps  

SciTech Connect

The effect of the external charge trap on the photoluminescence blinking dynamics of individual colloidal quantum dots is investigated with a series of colloidal quantum dot-bridge-fullerene dimers with varying bridge lengths, where the fullerene moiety acts as a well-defined, well-positioned external charge trap. It is found that charge transfer followed by charge recombination is an important mechanism in determining the blinking behavior of quantum dots when the external trap is properly coupled with the excited state of the quantum dot, leading to a quasi-continuous distribution of 'on' states and an early fall-off from a power-law distribution for both 'on' and 'off' times associated with quantum dot photoluminescence blinking.

Cotlet, M.; Xu, Z.

2012-01-23T23:59:59.000Z

182

Modeling surfaces in the context of pulsed-power : work functions, electron emission and dynamic response.  

SciTech Connect

The ability to quickly understand and deal with issues on ZR, or to virtually design a future ZX accelerator, requires a physics-based capability to simulate all key pulsed power components. Highly important for gas switches and transmission lines are surface phenomena: thermionic emission, photoemission, field emission, and ion-surface dynamics. These are complex processes even at normal conditions, when coupled to the dynamic environment in pulsed power components, the current state of the art of understanding is not at the level of science based predictive modeling. Modeling efforts at the macroscopic level (finite element based hydrodynamic simulations) require detailed information of these processes to yield more reliable results. This is the final report of an LDRD project in the science of extreme environments investment area; the project was focused on describing the physics of surfaces of materials of interest in pulsed-power components. We have calculated the temperature dependence of work functions for metals from first principles using density functional theory (DFT) as well as investigated the effect of initial oxidation and alloying. By using the GW method, we have gone beyond DFT to calculate work functions for Al. The GW work required base-lining the GW results for different systems, since GW lacks a description of total energy. Lastly, we investigated the more macroscopic physics of how a surface and bulk material responds to a very high current under a short time, representative for current loads in pulsed-power components, with emphasis on materials modeling. These simulations were made using two hydrodynamic codes, ALEGRA and MACH2, in order to focus on the materials models themselves.

Cochrane, Kyle Robert (Ktech Corporation, Albuquerque, NM); Chantrenne, Sophie (SAIC, Albuquerque, NM); Mattsson, Thomas Kjell Rene; Faleev, Sergey V. (SNAMI Inc., AL)

2009-09-01T23:59:59.000Z

183

Electronic and dynamic studies of boron carbide nanowires D. N. McIlroy, Daqing Zhang, Robert M. Cohen, and J. Wharton  

E-Print Network (OSTI)

Electronic and dynamic studies of boron carbide nanowires D. N. McIlroy, Daqing Zhang, Robert M and vibrational properties of boron carbide nanowires grown by plasma-enhanced chemical vapor deposition have been. The NEXAFS spectra are equivalent to corresponding spectra of single-crystal (B4C) boron carbide, consistent

Gilbert, Pupa Gelsomina De Stasio

184

Nonequilibrium quasiparticle relaxation dynamics in single crystals of hole- and electron-doped BaFe[subscript 2]As[subscript 2  

E-Print Network (OSTI)

We report on the nonequilibrium quasiparticle dynamics in BaFe[subscript 2]As[subscript 2] on both the hole-doped (Ba[subscript 1?x]K[subscript x]Fe[subscript 2]As[subscript 2]) and electron-doped (BaFe[subscript ...

Torchinsky, Darius Hosseinzadeh

185

In-situ Study of Dynamic Phenomena at Metal Nanosolder Interfaces Using Aberration Corrected Scanning Transmission Electron Microcopy.  

SciTech Connect

Controlling metallic nanoparticle (NP) interactions plays a vital role in the development of new joining techniques (nanosolder) that bond at lower processing temperatures but remain viable at higher temperatures. The pr imary objective of this project is t o develop a fundamental understanding of the actual reaction processes, associated atomic mechanisms, and the resulting microstructure that occur during thermally - driven bond formation concerning metal - metal nano - scale (<50nm) interfaces. In this LDRD pr oject, we have studied metallic NPs interaction at the elevated temperatures by combining in - situ transmission electron microscopy (TEM ) using an aberration - corrected scanning transmission electron microscope (AC - STEM) and atomic - scale modeling such as m olecular dynamic (MD) simulations. Various metallic NPs such as Ag, Cu and Au are synthesized by chemical routines. Numerous in - situ e xperiments were carried out with focus of the research on study of Ag - Cu system. For the first time, using in - situ STEM he ating experiments , we directly observed t he formation of a 3 - dimensional (3 - D) epitaxial Cu - Ag core - shell nanoparticle during the thermal interaction of Cu and Ag NPs at elevated temperatures (150 - 300 o C). The reaction takes place at temperatures as low as 150 o C and was only observed when care was taken to circumvent the effects of electron beam irradiation during STEM imaging. Atomic - scale modeling verified that the Cu - Ag core - shell structure is energetically favored, and indicated that this phenomenon is a nano - scale effect related to the large surface - to - volume ratio of the NPs. The observation potentially can be used for developing new nanosolder technology that uses Ag shell as the %22glue%22 that stic ks the particles of Cu together. The LDRD has led to several journal publications and numerous conference presentations, and a TA. In addition, we have developed new TEM characterization techniques and phase - field modeling tools that can be used for future materials research at Sandia. Acknowledgeme nts This work was supported by the Laboratory Directed Research and Development (LDRD) program of Sandia National Laboratories. Sandia National Laboratories is a multi - program laboratory managed and operated by Sandia Corporation, a wholly owned subsidia ry of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under contract DE - AC04 - 94AL85000.

Lu, Ping

2014-10-01T23:59:59.000Z

186

Time-dependent resonant UHF CI approach for the photo-induced dynamics of the multi-electron system confined in 2D QD  

SciTech Connect

We extend the static multi-reference description (resonant UHF) to the dynamic system in order to include the correlation effect over time, and simplify the TD Schrdinger equation (TD-CI) into a time-developed rate equation where the TD external field ??(t) is then incorporated directly in the Hamiltonian without any approximations. We apply this TD-CI method to the two-electron ground state of a 2D quantum dot (QD) under photon injection and study the resulting two-electron Rabi oscillation.

Okunishi, Takuma; Clark, Richard; Takeda, Kyozaburo [Waseda University, Tokyo 169-8555 (Japan); Kusakabe, Kouichi [Osaka University, Osaka 560-8531 (Japan); Tomita, Norikazu [Yamagata University, Yamagata 960-8560 (Japan)

2013-12-04T23:59:59.000Z

187

Dynamics  

NLE Websites -- All DOE Office Websites (Extended Search)

Hydration Hydration Water on Rutile Studied by Backscattering Neutron Spectroscopy and Molecular Dynamics Simulation E. Mamontov,* ,† D. J. Wesolowski, ‡ L. Vlcek, § P. T. Cummings, §,| J. Rosenqvist, ‡ W. Wang, ⊥ and D. R. Cole ‡ Spallation Neutron Source, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6473, Chemical Sciences DiVision, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6110, Department of Chemical Engineering, Vanderbilt UniVersity, NashVille, Tennessee 37235-1604, Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6496, and EnVironmental Sciences DiVision, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6036 ReceiVed: December 20, 2007; ReVised Manuscript ReceiVed: June 4, 2008 The high energy resolution, coupled with the wide dynamic range, of the new backscattering

188

Dynamics of pulled desorption with effects of excluded volume interaction: The p-Laplacian diffusion equation and its exact solution  

E-Print Network (OSTI)

We analyze the dynamics of desorption of a polymer molecule which is pulled at one of its ends with force $f$, trying to desorb it. We assume a monomer to desorb when the pulling force on it exceeds a critical value $f_{c}$. We formulate an equation for the average position of the $n^{th}$ monomer, which takes into account excluded volume interaction through the blob-picture of a polymer under external constraints. The approach leads to a diffusion equation with a $p$-Laplacian for the propagation of the stretching along the chain. This has to be solved subject to a moving boundary condition. Interestingly, within this approach, the problem can be solved exactly in the trumpet, stem-flower and stem regimes. In the trumpet regime, we get $\\tau=\\tau_{0}n_d^{2}$ where $n_d$ is the number of monomers that have desorbed at the time $\\tau$. $\\tau_{0}$ is known only numerically, but for $f$ close to $f_{c}$, it is found to be $\\tau_{0}\\sim f_c/(f^{2/3}-f_{c}^{2/3})$. If one used simple Rouse dynamics, this result changes to {\

K. L. Sebastian; V. G. Rostiashvili; T. A. Vilgis

2011-08-31T23:59:59.000Z

189

Opportunities and challenges for time-resolved studies of protein structural dynamics at X-ray free-electron lasers  

Science Journals Connector (OSTI)

...functional transitions in proteins. Proc. Natl Acad...Woodbury, NW. 2007 Protein dynamics control the...2011 New light on disordered ensembles: ab initio structure...vibrational dynamics of a protein in liquid water by terahertz...

2014-01-01T23:59:59.000Z

190

SOLUTION-PROCESSED INORGANIC ELECTRONICS  

E-Print Network (OSTI)

layers for organic diodes and solar cells, and contacts tosensitized solar cells, as well as organic and inorganicorganic semiconductors in both diode (OLED and solar cell)[

Bakhishev, Teymur

2011-01-01T23:59:59.000Z

191

Electron acoustic wave driven vortices with non-Maxwellian hot electrons in magnetoplasmas  

SciTech Connect

Linear dispersion characteristics of the Electron Acoustic Wave (EAW) and the corresponding vortex structures are investigated in a magnetoplasma in the presence of non-Maxwellian hot electrons. In this regard, kappa and Cairns distributed hot electrons are considered. It is noticed that the nonthermal distributions affect the phase velocity of the EAW. Further, it is found that the phase velocity of EAW increases for Cairns and decreases for kappa distributed hot electrons. Nonlinear solutions in the form of dipolar vortices are also obtained for both stationary and non-stationary ions in the presence of kappa distributed hot electrons and dynamic cold electrons. It is found that the amplitude of the nonlinear vortex structures also reduces with kappa factor like the electron acoustic solitons.

Haque, Q. [Theoretical Physics Division, PINSTECH, P. O. Nilore, Islamabad (Pakistan); National Center for Physics Shahdrah Valley Road, Islamabad 44000 (Pakistan); Mirza, Arshad M. [Theoretical Plasma Physics Group, Department of Physics, Quaid-i-Azam University, Islamabad 45320 (Pakistan); Zakir, U. [Institute of Physics and Electronics, University of Peshawar, and Khyber Pakhtun Khwa 25000 (Pakistan); Department of Physics, University of Malakand Chakdara Dir(L), Khyber Pakhtun Khwa 18800 Pakistan (Pakistan)

2014-07-15T23:59:59.000Z

192

Interpolymer complexation of poly(acrylic acid) and poly(acrylamide): Structural and dynamic studies by solution- and solid-state NMR  

SciTech Connect

Understanding the structure and dynamics of intermacromolecular complexes is of interest because of the occurrence of such structures in many systems of biological importance. Interpolymeric complexes of poly(acrylic acid) PAA and poly(acrylamide) (PAAm) at 60, 20, 5, and 0% ionization ([alpha]) were studied by [sup 1]H/[sup 13]C solution-state and [sup 13]C solid-state cross-polarization magic angle spinning (CPMAS) NMR experiments. The solid-state NMR results support a model in which ionization ([alpha] or pD) alteration leads to conformation and segment changes along the PAA-PAAm polymeric backbone. Solid-state relaxation measurements show short T[sub 1] values at high ionization ([alpha] = 60%) but long T[sub 1] values toward low ionization ([alpha] [<=] 20%). This is consistent with a model in which the PAA and PAAm polymers take on a stretched but mobile conformation at high ionization but become immobile and restricted at low ionization. Dynamic restriction of the polymer is attributed to symbiotic hydrogen bonding of the carboxyl group of PAA and the amide residue of PAAm to form interpolymer complexes. Other relaxation parameters such as [sup 1]H-[sup 13]C cross-polarization times T[sub CH](SL), proton spin-lattice relaxation times in the rotating frame T[sub 1p](H), and [sup 13]C dipolar-dephasing results are also consistent with this model.

Garces, F.O. (Univ. of San Diego, CA (United States). Dept. of Chemistry); Sivadasan, K.; Somasundaran, P. (Columbia Univ., New York, NY (United States). Henry Krumb School of Mines); Turro, N.J. (Columbia Univ., New York, NY (United States). Dept. of Chemistry)

1994-01-01T23:59:59.000Z

193

Nonmetal-metal transition in metalmolten-salt solutions  

Science Journals Connector (OSTI)

The method of ab initio molecular dynamics, based on finite-temperature density-functional theory, is used to study the nonmetal-metal transition in two different metalmolten-salt solutions, Kx(KCl)1-x and Nax(NaBr)1-x. As the excess metal concentration is increased the electronic density becomes delocalized and percolating conducting paths are formed, making a significant dc electrical conductivity possible. This marks the onset of the metallic regime. By calculating several electronic and structural properties, remarkable differences between the two solutions are observed. The anomalous behavior of Nax(NaBr)1-x, typical of all the Na-NaX solutions, is found to be related to the strong attractive interaction between the sodium ions and the excess electrons. 1996 The American Physical Society.

Pier Luigi Silvestrelli; Ali Alavi; Michele Parrinello; Daan Frenkel

1996-05-15T23:59:59.000Z

194

Femtosecond-picosecond laser photolysis studies on the dynamics of excited charge-transfer complexes: Aromatic hydrocarbon-acid anhydride, -tetracyanoethylene, and -tetracyanoquinodimethane systems in acetonitrile solutions  

SciTech Connect

Formation processes of contact ion pairs (CIP) from the excited Franck-Condon (FC) state of charge-transfer (CT) complexes of aromatic hydrocarbons with acid anhydride as well as cyano compound acceptors in acetonitrile solution and charge recombination (CR) rates (k{sub CR}{sup CIP}) of produced CIP states have been investigated by femtosecond and picosecond laser phototlysis and time-resolved absorption spectral measurements covering a wide range of free energy gap-{Delta}G{degree}{sub ip} between the ion pair and the ground state. It has been confirmed that the CIP formation becomes faster and k{sub CR}{sup CIP} of the produced CIP increases with increase of the strengths of the electron donor (D) and acceptor (A) in the complex, i.e., with decrease of the {minus}{Delta}G{degree}{sub ip} value. This peculiar energy gap dependence of k{sub CR}{sup CIP}, quite different from the bell-shaped one observed in the case of the solvent-separated ion pairs (SSIP) or loose ion pairs (LIP) formed by encounter between fluorescer and quencher in the fluoresence quenching reaction, has been interpreted by assuming the change of electronic and geometrical structures of CIP depending on the strengths of D and A.

Asahi, Tsuyoshi; Mataga, Noboru (Osaka Univ. (Japan))

1991-03-07T23:59:59.000Z

195

Ion-pairing dynamics of Li{sup +} and SCN{sup -} in dimethylformamide solution: Chemical exchange two-dimensional infrared spectroscopy  

SciTech Connect

Ultrafast two-dimensional infrared (2DIR) spectroscopy has been proven to be an exceptionally useful method to study chemical exchange processes between different vibrational chromophores under thermal equilibria. Here, we present experimental results on the thermal equilibrium ion pairing dynamics of Li{sup +} and SCN{sup -} ions in N,N-dimethylformamide. Li{sup +} and SCN{sup -} ions can form a contact ion pair (CIP). Varying the relative concentration of Li{sup +} in solution, we could control the equilibrium CIP and free SCN{sup -} concentrations. Since the CN stretch frequency of Li-SCN CIP is blue-shifted by about 16 cm{sup -1} from that of free SCN{sup -} ion, the CN stretch IR spectrum is a doublet. The temperature-dependent IR absorption spectra reveal that the CIP formation is an endothermic (0.57 kJ/mol) process and the CIP state has larger entropy by 3.12 J/(K mol) than the free ion states. Since the two ionic configurations are spectrally distinguishable, this salt solution is ideally suited for nonlinear IR spectroscopic investigations to study ion pair association and dissociation dynamics. Using polarization-controlled IR pump-probe methods, we first measured the lifetimes and orientational relaxation times of these two forms of ionic configurations. The vibrational population relaxation times of both the free ion and CIP are about 32 ps. However, the orientational relaxation time of the CIP, which is {approx}47 ps, is significantly longer than that of the free SCN{sup -}, which is {approx}7.7 ps. This clearly indicates that the effective moment of inertia of the CIP is much larger than that of the free SCN{sup -}. Then, using chemical exchange 2DIR spectroscopy and analyzing the diagonal peak and cross-peak amplitude changes with increasing the waiting time, we determined the contact ion pair association and dissociation time constants that are found to be 165 and 190 ps, respectively. The results presented and discussed in this paper are believed to be important, not only because the ion-pairing dynamics is one of the most fundamental physical chemistry problems but also because such molecular ion-ion interactions are of critical importance in understanding Hofmeister effects on protein stability.

Lee, Kyung-Koo; Park, Kwang-Hee; Kwon, Donghyun; Choi, Jun-Ho; Son, Hyewon [Department of Chemistry, Research Institute for Natural Sciences, Korea University, Seoul 136-701 (Korea, Republic of); Park, Sungnam; Cho, Minhaeng [Department of Chemistry, Research Institute for Natural Sciences, Korea University, Seoul 136-701 (Korea, Republic of); Multidimensional Spectroscopy Laboratory, Korea Basic Science Institute, Seoul 136-713 (Korea, Republic of)

2011-02-14T23:59:59.000Z

196

Single-molecule electron transfer reactions in nanomaterials  

SciTech Connect

Here we report the study of single molecule electron transfer dynamics by coupling fluorescence microscopy at a conventional electrochemical cell. The single-molecule fluorescence spectroelectrochemistry of cresyl violet in aqueous solution and on nanoparticle surface were studied. We observed that the single-molecule fluorescence intensity of cresyl violet is modulated synchronously with the cyclic voltammetric potential scanning. We attribute the fluorescence intensity change of single cresyl violet molecules to the electron transfer reaction driven by the electrochemical potential.

Hu, Dehong; Lei, Chenghong; Ackerman, Eric J.

2009-07-26T23:59:59.000Z

197

Using X-ray free-electron lasers for probing of complex interaction dynamics of ultra-intense lasers with solid matter  

SciTech Connect

We demonstrate the potential of X-ray free-electron lasers (XFEL) to advance the understanding of complex plasma dynamics by allowing for the first time nanometer and femtosecond resolution at the same time in plasma diagnostics. Plasma phenomena on such short timescales are of high relevance for many fields of physics, in particular in the ultra-intense ultra-short laser interaction with matter. Highly relevant yet only partially understood phenomena become directly accessible in experiment. These include relativistic laser absorption at solid targets, creation of energetic electrons and electron transport in warm dense matter, including the seeding and development of surface and beam instabilities, ambipolar expansion, shock formation, and dynamics at the surfaces or at buried layers. In this paper, we focus on XFEL plasma probing for high power laser matter interactions based on quantitative calculations using synthesized data and evaluate the feasibility of various imaging and scattering techniques with special focus on the small angle X-ray scattering technique.

Kluge, T., E-mail: t.kluge@hzdr.de; Huang, L. G.; Metzkes, J.; Bussmann, M. [Helmholtz-Zentrum Dresden-Rossendorf e.V., D-01328 Dresden (Germany)] [Helmholtz-Zentrum Dresden-Rossendorf e.V., D-01328 Dresden (Germany); Gutt, C. [Universitt Siegen, D-57068 Siegen (Germany)] [Universitt Siegen, D-57068 Siegen (Germany); Schramm, U.; Cowan, T. E. [Helmholtz-Zentrum Dresden-Rossendorf e.V., D-01328 Dresden (Germany) [Helmholtz-Zentrum Dresden-Rossendorf e.V., D-01328 Dresden (Germany); Technische Universitt Dresden, D-01062 Dresden (Germany)

2014-03-15T23:59:59.000Z

198

THE JOURNAL OF CHEMICAL PHYSICS 134, 074107 (2011) Multistage ab initio quantum wavepacket dynamics for electronic structure  

E-Print Network (OSTI)

American Institute of Physics. [doi:10.1063/1.3534797] I. INTRODUCTION Electron transport between donor redox systems,1,2 where electron transport through an intervening bridge is central to photosynthesis,3 systems6­16 and solar energy conversion and storage.55­57 The intensity of current research effort

Iyengar, Srinivasan S.

199

Analysis of solar neutrino problem by means of Ntzold and Nakagawa's approach including the interference term- Hyperbolic-tangent profile for electron density in the sun and exact solution -  

E-Print Network (OSTI)

Using an exact solution with the hyperbolic-tangent profile for the electron density in the sun, which is developed by N\\"{o}tzold and later modified by Nakagawa, we have analyzed the solar neutrino problem. An interference term in their approach is correctly taken into account. Combining the hyperbolic-tangent profile with the BP2000, we obtain a phenomenological fitting in the analytic form. Combining recent observed results for survival probability $P(\

Masahiro Kaneyama; Minoru Biyajima

2002-11-18T23:59:59.000Z

200

Dynamical heavy-quark recombination and the nonphotonic single-electron puzzle at energies available at the BNL Relativistic Heavy Ion Collider (RHIC)  

SciTech Connect

We show that the single, nonphotonic electron nuclear modification factor R{sub AA}{sup e} is affected by the thermal enhancement of the heavy-baryon-to-heavy-meson ratio in relativistic heavy-ion collisions with respect to proton-proton collisions. We make use of the dynamical quark recombination model to compute such a ratio and show that this produces a sizable suppression factor for R{sub AA}{sup e} at intermediate transverse momenta. We argue that this suppression factor needs to be considered, in addition to the energy loss contribution, in calculations of R{sub AA}{sup e}.

Ayala, Alejandro [Instituto de Ciencias Nucleares, Universidad Nacional Autonoma de Mexico, Apartado Postal 70-543, Mexico Distrito Federal 04510 (Mexico); Centro Brasileiro de Pesquisas Fisicas, CBPF, Rua Dr. Xavier Sigaud 150, 22290-180 Rio de Janeiro (Brazil); Magnin, J. [Centro Brasileiro de Pesquisas Fisicas, CBPF, Rua Dr. Xavier Sigaud 150, 22290-180 Rio de Janeiro (Brazil); Montano, Luis Manuel [Centro de Investigacion y de Estudios Avanzados del IPN, Apartado Postal 14-740, Mexico Distrito Federal 07000 (Mexico); Sanchez, G. Toledo [Instituto de Fisica, Universidad Nacional Autonoma de Mexico, Apartado Postal 20-364, Mexico Distrito Federal 01000 (Mexico)

2009-12-15T23:59:59.000Z

Note: This page contains sample records for the topic "dynamic electron solutions" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


201

Electronic structure, molecular orientation, charge transfer dynamics and solar cells performance in donor/acceptor copolymers and fullerene: Experimental and theoretical approaches  

SciTech Connect

By combining experimental and theoretical approaches, the electronic structure, molecular orientation, charge transfer dynamics and solar cell performance in donor/acceptor copolymer poly[2,7-(9,9-bis(2-ethylhexyl)-dibenzosilole)-alt-4,7-bis(thiophen-2-yl) benzo-2,1,3-thiadiazole] (PSiF-DBT) films and blended with 6,6.-phenyl-C 61-butyric acid methyl ester (PSiF-DBT:PCBM) were investigated. Good agreement between experimental and theoretical PSiF-DBT UV-Vis absorption spectrum is observed and the main molecular orbitals contributing to the spectrum were determined using DFT single point calculations. Non-coplanar configuration was determined by geometric optimization calculation in isolated PSiF-DBT pentamer and corroborated by angular variation of the sulphur 1s near-edge X-ray absorption fine structure (NEXAFS) spectra. Edge-on and plane-on molecular orientations were obtained for thiophene and benzothiadiazole units, respectively. A power conversion efficiency up to 1.58%, open circuit voltage of 0.51 V, short circuit current of 8.71 mA/cm{sup 2} and a fill factor of 35% was obtained using blended PSiF-DBT:PCBM as active layer in a bulk heterojunction solar cell. Ultrafast electron dynamics in the low-femtosecond regime was evaluated by resonant Auger spectroscopy using the core-hole clock methodology around sulphur 1s absorption edge. Electron delocalization times for PSiF-DBT and PSiF-DBT:PCBM polymeric films were derived for selected excitation energies corresponding to the main transitions in the sulphur 1s NEXAFS spectra. The mixture of PSiF-DBT with PCBM improves the charge transfer process involving the ?* molecular orbital of the thiophene units.

Garcia-Basabe, Y.; Borges, B. G. A. L.; Rocco, M. L. M., E-mail: lsroman@fisica.ufpr.br, E-mail: luiza@iq.ufrj.br [Institute of Chemistry, Federal University of Rio de Janeiro, Rio de Janeiro 21941-909 (Brazil); Marchiori, C. F. N.; Yamamoto, N. A. D.; Koehler, M.; Roman, L. S., E-mail: lsroman@fisica.ufpr.br, E-mail: luiza@iq.ufrj.br [Departament of Physics, Federal University of Paran, Curitiba 81531-990 (Brazil); Macedo, A. G. [Departament of Physics, Technological Federal University of Paran, Curitiba 80230-901 (Brazil)

2014-04-07T23:59:59.000Z

202

Strong Electronic Polarization of the C60 Fullerene by the Imidazolium-Based Ionic Liquids: Accurate Insights from Born-Oppenheimer Molecular Dynamics Simulations  

E-Print Network (OSTI)

Fullerenes are known to be polarizable due to the strained carbon-carbon bonds and high surface curvature. Electronic polarization of fullerenes is of steady practical importance, since it leads to non-additive interactions and, therefore, to unexpected phenomena. For the first time, hybrid density functional theory (HDFT) powered Born-Oppenheimer molecular dynamics (BOMD) simulations have been conducted to observe electronic polarization and charge transfer phenomena in the C60 fullerene at finite temperature (350 K). The non-additive phenomena are fostered by the three selected imidazolium-based room-temperature ionic liquids (RTILs). We conclude that although charge transfer appears nearly negligible in these systems, an electronic polarization is indeed significant leading to a systematically positive effective electrostatic charge on the C60 fullerene: +0.14e in [EMIM][Cl], +0.21e in [EMIM][NO3], +0.17e in [EMIM][PF6]. These results are, to certain extent, unexpected providing an inspiration to consider ...

Chaban, Vitaly V

2015-01-01T23:59:59.000Z

203

Ab Initio Molecular Dynamics Studies on Substitution vs. Electron Transfer Reactions of Substituted Ketyl Radical Anions with Chloroalkanes: How Do the Two Products Form in a Borderline Mechanism?  

SciTech Connect

We present a qualitative analysis, based on ab initio molecular dynamics (MD) calculations, of the SN2/ET mechanistic spectrum for three reactions: (1) HC(CN)=O.- + CH3Cl, (2) HC(CN)=O.- + (CH3)2CHCl, and (3) H2C=O.- + CH3Cl, passing through their SN2-like transition states. The finite temperature (298 K) direct-MD simulations indicate that the trajectories for reaction 1 appear to have a propensity towards SN2 products, the propensity for trajectories for reaction 2 seems to be towards ET products, whereas trajectories for reaction 3 appear to show no particular propensity towards either ET or SN2 products. The mechanistic diversity is consistent with the electron donating ability of the ketyl species and steric bulkiness of chloroalkanes. We find that the trajectories have characteristics that reflect strongly the types of process (SN2 trajectories in reactions 1 and 3 vs. ET trajectories in reactions 2 and 3). Trajectories that lead to SN2 products are simple with C-C bond formation and C-Cl bond breaking essentially completed within 50 fs. By contrast, trajectories leading to ET products are more complex with a sudden electron reorganization taking place within 15 - 30 fs and the major bonding changes and electron and spin reorganizations completed after 250 fs.

Yamataka, H.; Aida, Misako; Dupuis, Michel

2003-08-06T23:59:59.000Z

204

Time-dependent restricted-active-space self-consistent-field theory for laser-driven many-electron dynamics. II. Extended formulation and numerical analysis  

E-Print Network (OSTI)

The time-dependent restricted-active-space self-consistent-field (TD-RASSCF) method is formulated based on the TD variational principle. In analogy with the configuration-interaction singles (CIS), singles-and-doubles (CISD), singles-doubles-and-triples (CISDT) methods in quantum chemistry, the TD-RASSCF-S, -SD, and -SDT methods are introduced as extensions of the TD-RASSCF dou- bles (-D) method [Phys. Rev. A 87, 062511 (2013)]. Based on an analysis of the numerical cost and test calculations for one-dimensional (1D) models of atomic helium, beryllium, and carbon, it is shown that the TD-RASSCF-S and -D methods are computationally feasible for systems with many electrons and more accurate than the TD Hartree-Fock (TDHF) and TDCIS methods. In addition to the discussion of methodology, an analysis of electron dynamics in the high-order harmonic generation (HHG) process is presented. For the 1D beryllium atom, a state-resolved analysis of the HHG spectrum based on the time-independent HF orbitals shows that while only single-orbital excitations are needed in the region below the cutoff, single- and double-orbital excitations are es- sential beyond, where accordingly the single-active-electron (SAE) approximation and the TDCIS method break down. On the other hand, the TD-RASSCF-S and -D methods accurately describe the multi-orbital excitation processes throughout the entire region of the HHG spectrum. For the 1D carbon atom, our calculations show that multi-orbital excitations are essential in the HHG process even below the cutoff. Hence, in this test system a very accurate treatment of electron correlation is required. The TD-RASSCF-S and -D approaches meet this demand, while the SAE approximation and the TDCIS method are inadequate.

Haruhide Miyagi; Lars Bojer Madsen

2014-05-21T23:59:59.000Z

205

Defect microstructural evolution in ion irradiated metallic nanofoils: Kinetic Monte Carlo simulation versus cluster dynamics modeling and in situ transmission electron microscopy experiments  

SciTech Connect

Understanding materials degradation under intense irradiation is important for the development of next generation nuclear power plants. Here we demonstrate that defect microstructural evolution in molybdenum nanofoils in situ irradiated and observed on a transmission electron microscope can be reproduced with high fidelity using an object kinetic Monte Carlo (OKMC) simulation technique. Main characteristics of defect evolution predicted by OKMC, namely, defect density and size distribution as functions of foil thickness, ion fluence and flux, are in excellent agreement with those obtained from the in situ experiments and from previous continuum-based cluster dynamics modeling. The combination of advanced in situ experiments and high performance computer simulation/modeling is a unique tool to validate physical assumptions/mechanisms regarding materials response to irradiation, and to achieve the predictive power for materials stability and safety in nuclear facilities.

Xu Donghua; Wirth, Brian D. [Department of Nuclear Engineering, University of Tennessee, Knoxville, Tennessee 37996 (United States); Li Meimei [Division of Nuclear Engineering, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Kirk, Marquis A. [Division of Materials Science, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

2012-09-03T23:59:59.000Z

206

A time-dependent momentum-space density functional theoretical approach for electron transport dynamics in molecular devices  

E-Print Network (OSTI)

the Fermi energy. The eigen- value equation for the eigenfunctions is obtained by setting t= 0 in eq. (3) and replacing the term on the left-hand side of eq. (3) with E?(0). Note that VD(t) = 0 when t= 0. Applying the second-order split-operator method [31...), central (C), and right (R) zones [814]. The C zone is chosen to include the molecule and some atomic layers of the electrodes so that the Hamiltonian and the electron density of the L and R zones (the semi-infinite electrodes) are accurately described...

Chu, Shih-I; Zhou, Zhongyuan

2009-10-27T23:59:59.000Z

207

Coordination and Hydrolysis of Plutonium Ions in Aqueous Solution...  

NLE Websites -- All DOE Office Websites (Extended Search)

Hydrolysis of Plutonium Ions in Aqueous Solution using Car-Parrinello Molecular Dynamics Free Energy Coordination and Hydrolysis of Plutonium Ions in Aqueous Solution using...

208

A high dynamic range data acquisition system for a solid-state electron Electric Dipole Moment experiment  

E-Print Network (OSTI)

We have built a high precision (24-bit) data acquisition (DAQ) system with eight simultaneously sampling input channels for the measurement of the electric dipole moment (EDM) of the electron. The DAQ system consists of two main components, a master board and eight individual analog-to-digital converter (ADC) boards. This custom DAQ system provides galvanic isolation, with fiber optic communication, between the master board and each ADC board to reduce the possibility of ground loop pickups. In addition, each ADC board is enclosed in its own heavy-duty radio frequency shielding enclosure and powered by DC batteries, to attain the ultimate low levels of channel cross-talk. In this paper, we describe the implementation of the DAQ system and scrutinize its performance.

Young Jin Kim; Brandon Kunkler; Chen-Yu Liu; Gerard Visser

2011-06-07T23:59:59.000Z

209

Influence of Electron-Impact Multiple Ionization on Equilibrium and Dynamic Charge State Distributions: A Case Study Using Iron  

E-Print Network (OSTI)

We describe the influence of electron-impact multiple ionization (EIMI) on the ionization balance of collisionally ionized plasmas. We are unaware of any previous ionization balance calculations that have included EIMI, which is usually assumed to be unimportant. Here, we incorporate EIMI cross-section data into calculations of both equilibrium and non-equilibrium charge-state distributions (CSDs). For equilibrium CSDs, we find that EIMI has only a small effect and can usually be ignored. However, for non-equilibrium plasmas the influence of EIMI can be important. In particular, we find that for plasmas in which the temperature oscillates there are significant differences in the CSD when including versus neglecting EIMI. These results have implications for modeling and spectroscopy of impulsively heated plasmas, such as nanoflare heating of the solar corona.

Hahn, Michael

2014-01-01T23:59:59.000Z

210

Photo-induced isomerization of ethylene-bridged azobenzene explored by ab initio based non-adiabatic dynamics simulation: A comparative investigation of the isomerization in the gas and solution phases  

SciTech Connect

Azobenzene is one of the most widely used photoactive units and recently an ethylene-bridged azobenzene (BAB) was reported to have greatly enhanced conversion efficiency, quantum yield, and other favorable properties. As the first step towards exploring its photo-switchable character in real systems, we report here a systematic study on the photoisomerization dynamics between trans (E) and cis (Z) isomers in the gas phase and the CH{sub 3}OH solution, using ab initio based surface hopping and molecular dynamics, which is the first report of dynamics simulation to reveal the environmental effects on BAB photoreactions. Results show that while the relatively faster S{sub 1} relaxation of the photo-induced E{yields}Z process is only mildly affected by the solvent effect, the relatively slower S{sub 1} relaxation of the reverse reaction becomes even slower in the solution compared to the gas phase. The subsequent S{sub 0} dynamics from the conical intersection between S{sub 1} and S{sub 0} (CI{sub E}) to Z is accelerated in solution compared to the gas phase because of avoided re-crossing to the S{sub 1} state, while the S{sub 0} dynamics from the conical intersection between S{sub 1} and S{sub 0} (CI{sub Z}) to E are basically the same in both phases. Overall, the solvent effect was found to enhance the back-and-forth photo-switch efficiency between the Z and E isomers compared to the gas phase, while the quantum yields are reduced. But the solution yields of both the forward and backward photoreactions are still around 0.4. Therefore, BAB may have good photo-responsive properties if used as a photoactive unit in real systems. These results will facilitate future experimental and theoretical studies in this area to help design new azobenzene derivatives as photoactive units in biological processes, nanoscale devices, and photo-responsive materials.

Cao Jun; Liu Lihong; Fang Weihai [Key Laboratory of Theoretical and Computational Photochemistry, Ministry of Education, College of Chemistry, Beijing Normal University, Beijing 100875 (China); Xie Zhizhong [Department of Chemistry, School of Science, Wuhan University of Technology, Wuhan 430070 (China); Zhang Yong [Department of Chemistry, Chemical Biology, and Biomedical Engineering, Stevens Institute of Technology, Castle Point on Hudson, Hoboken, New Jersey 07030 (United States)

2013-04-07T23:59:59.000Z

211

Probing the Degradation Mechanisms in Electrolyte Solutions for...  

NLE Websites -- All DOE Office Websites (Extended Search)

Degradation Mechanisms in Electrolyte Solutions for Li-ion Batteries by In-Situ Transmission Electron Microscopy. Probing the Degradation Mechanisms in Electrolyte Solutions for...

212

Comment on State-Dependent Electron Delocalization Dynamics at the Solute-Solvent Interface: Soft-X-Ray Absorption Spectroscopy and Abinitio Calculations  

Science Journals Connector (OSTI)

A Comment on the Letter by S.?I. Bokarev et al., Phys. Rev. Lett. 111, 083002 (2013). The authors of the Letter offer a Reply.

R.?J. Green; D. Peak; A.?J. Achkar; J.?S. Tse; A. Moewes; D.?G. Hawthorn; T.?Z. Regier

2014-03-28T23:59:59.000Z

213

Solid State and Aqueous Solution Characterization of Rectangular Tetranuclear VIV/V-p-Semiquinonate/Hydroquinonate Complexes Exhibiting a Proton Induced Electron Transfer  

Science Journals Connector (OSTI)

Department of Agriculture Production, Biotechnology and Food Science, Cyprus University of Technology, 3603 Limasol, Cyprus, and Department of Chemistry, University of Cyprus, 1678 Nicosia, Cyprus ... Amino and carboxylate substituents satisfy the requirement for proton accepting groups and an environment around metal ions redox coupled with quinone similar to that found in natural systems. ... For electrochemically reversible processes, plots of E versus RT ln[(id ? i)/i)]/F (F, faraday constant, R, gas constant) of the RDE voltammograms over a potential range between the quartile (E1/4) and the three-quartile (E3/4) potential values will be linear with intercept E1/2 and slope 1/n (n, number of electrons). ...

Chryssoula Drouza; Anastasios D. Keramidas

2008-07-19T23:59:59.000Z

214

Osmosis with active solutes  

E-Print Network (OSTI)

Despite much current interest in active matter, little is known about osmosis in active systems. Using molecular dynamics simulations, we investigate how active solutes perturb osmotic steady states. We find that solute activity increases the osmotic pressure, and can also expel solvent from the solution - i.e. cause reverse osmosis. The latter effect cannot be described by an effective temperature, but can be reproduced by mapping the active solution onto a passive one with the same degree of local structuring as the passive solvent component. Our results provide a basic framework for understanding active osmosis, and suggest that activity-induced structuring of the passive component may play a key role in the physics of active-passive mixtures.

Thomas W. Lion; Rosalind J. Allen

2014-02-06T23:59:59.000Z

215

Osmosis with active solutes  

E-Print Network (OSTI)

Despite much current interest in active matter, little is known about osmosis in active systems. Using molecular dynamics simulations, we investigate how active solutes perturb osmotic steady states. We find that solute activity increases the osmotic pressure, and can also expel solvent from the solution - i.e. cause reverse osmosis. The latter effect cannot be described by an effective temperature, but can be reproduced by mapping the active solution onto a passive one with the same degree of local structuring as the passive solvent component. Our results provide a basic framework for understanding active osmosis, and suggest that activity-induced structuring of the passive component may play a key role in the physics of active-passive mixtures.

Lion, Thomas W

2014-01-01T23:59:59.000Z

216

Dynamic local-field factor of an electron liquid in the quantum versions of the Singwi-Tosi-Land-Sjlander and Vashishta-Singwi theories  

Science Journals Connector (OSTI)

We have investigated in detail the complex, dynamic local field G(q,?) of an electron liquid in the quantum versions of the Singwi-Tosi-Land-Sjlander (STLS) and Vashishta-Singwi (VS) theories. We have worked out the various analytical properties of G(q,?) and shown that the STLS and VS theories are the high-frequency limits of the quantum cases. Variation of G(q,?) with ? is found to be rather mild. Interestingly, the static local field G(q,0) exhibits, in the region of metallic densities, a peaked structure around q?2.8kF, in contrast to the monotonically increasing local-field factors of the STLS and VS theories. The height of the peak reaches values greater than 1, which causes the effective particle-hole interaction to become attractive. This gives rise to the possibility of a charge-density-wave instability. We also give a parametric representation of G(q,0), which fulfills exactly the compressibility sum rule.

A. Holas and Shafiqur Rahman

1987-02-15T23:59:59.000Z

217

The structures and dynamics of atomic and molecular adsorbates on metal surfaces by scanning tunneling microscopy and low energy electron diffraction  

SciTech Connect

Studies of surface structure and dynamics of atoms and molecules on metal surfaces are presented. My research has focused on understanding the nature of adsorbate-adsorbate and adsorbate-substrate interactions through surface studies of coverage dependency and coadsorption using both scanning tunneling microscopy (STM) and low energy electron diffraction (LEED). The effect of adsorbate coverage on the surface structures of sulfur on Pt(111) and Rh(111) was examined. On Pt(111), sulfur forms p(2x2) at 0.25 ML of sulfur, which transforms into a more compressed ({radical}3x{radical}3)R30{degrees} at 0.33 ML. On both structures, it was found that sulfur adsorbs only in fcc sites. When the coverage of sulfur exceeds 0.33 ML, it formed more complex c({radical}3x7)rect structure with 3 sulfur atoms per unit cell. In this structure, two different adsorption sites for sulfur atoms were observed - two on fcc sites and one on hcp site within the unit cell.

Yoon, Hyungsuk Alexander

1996-12-01T23:59:59.000Z

218

A Near-Infrared Transient Absorption Study of the Excited-State Dynamics of the Carotenoid Spirilloxanthin in Solution and in the LH1 Complex of Rhodospirillum rubrum  

E-Print Network (OSTI)

A Near-Infrared Transient Absorption Study of the Excited-State Dynamics of the Carotenoid rubrum were studied by near-infrared ultrafast transient absorption spectroscopy. Global analysis), does not exhibit detectable spectral features in the near-infrared region. Introduction The excited

van Stokkum, Ivo

219

Removal of Vanadium(IV) from Aqueous Solutions by Adsorption Process with Aluminum-Pillared Bentonite  

Science Journals Connector (OSTI)

The objective of this research work is to investigate the possibility of using a natural bentonite clay as a precursor to produce aluminum-pillared clay (Al?PILC) for the removal of vanadium(IV) from aqueous solutions. ... The original bentonite and Al?PILC were characterized with the help of surface area analyzer, X-ray diffraction, scanning electron microscopy, and potentiometric titration. ... The adsorption of vanadium(IV) onto Al?PILC has been dynamically and thermodynamically investigated. ...

D. M. Manohar; B. F. Noeline; T. S. Anirudhan

2005-07-08T23:59:59.000Z

220

Electronic, structural, phonon dynamical, and CO{sub 2} capture properties of LiMZrO{sub 3} (M=Na, K) by ab initio thermodynamic investigation  

SciTech Connect

The electronic, structural and phonon properties of LiMZrO{sub 3} (M=Na, K) were investigated by the density functional theory and lattice phonon dynamics. Their thermodynamic properties for CO{sub 2} absorption/desorption were analyzed in comparison with the corresponding M{sub 2}ZrO{sub 3}. Two substituted configurations of LiMZrO{sub 3} were created from Li{sub 2}ZrO{sub 3}. Both types of LiNaZrO3 have direct band gaps with values of 3.84 eV and 3.49 eV respectively. While in the case of LiKZrO{sub 3}, one type has an indirect band gap of 3.79 eV between ? and M high symmetric points while another has a direct band gap of 3.12 eV. The phonon dispersions and phonon density of states of LiMZrO{sub 3} were calculated with the direct method. From the calculated thermodynamic properties of LiMZrO{sub 3} reacting with CO{sub 2}, our results showed that by doping Na into Li{sub 2}ZrO{sub 3}, the obtained new solid LiNaZrO{sub 3} has better performance as a CO{sub 2} sorbent applying to post-combustion capture technology. For K doping into Li{sub 2}ZrO{sub 3}, our calculated thermodynamic results showed that the new solid LiKZrO{sub 3} does not gain improvement on its CO{sub 2} capture performance because its regeneration temperature is much higher than Li{sub 2}ZrO{sub 3}.

Duan, Yuhua

2014-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "dynamic electron solutions" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


221

Ultrafast supercontinuum fiber-laser based pump-probe scanning magneto-optical Kerr effect microscope for the investigation of electron spin dynamics in semiconductors at cryogenic temperatures with picosecond time and micrometer spatial resolution  

SciTech Connect

We describe a two-color pump-probe scanning magneto-optical Kerr effect microscope which we have developed to investigate electron spin phenomena in semiconductors at cryogenic temperatures with picosecond time and micrometer spatial resolution. The key innovation of our microscope is the usage of an ultrafast white light supercontinuum fiber-laser source which provides access to the whole visible and near-infrared spectral range. Our Kerr microscope allows for the independent selection of the excitation and detection energy while avoiding the necessity to synchronize the pulse trains of two separate picosecond laser systems. The ability to independently tune the pump and probe wavelength enables the investigation of the influence of excitation energy on the optically induced electron spin dynamics in semiconductors. We demonstrate picosecond real-space imaging of the diffusive expansion of optically excited electron spin packets in a (110) GaAs quantum well sample to illustrate the capabilities of the instrument.

Henn, T.; Kiessling, T., E-mail: tobias.kiessling@physik.uni-wuerzburg.de; Ossau, W.; Molenkamp, L. W. [Physikalisches Institut (EP3), Universitt Wrzburg, 97074 Wrzburg (Germany)] [Physikalisches Institut (EP3), Universitt Wrzburg, 97074 Wrzburg (Germany); Biermann, K.; Santos, P. V. [Paul-Drude-Institut fr Festkrperelektronik, 10117 Berlin (Germany)] [Paul-Drude-Institut fr Festkrperelektronik, 10117 Berlin (Germany)

2013-12-15T23:59:59.000Z

222

State and Local Solution Center: Financing Solutions  

NLE Websites -- All DOE Office Websites (Extended Search)

Technical Assistance Technical Assistance Resources Printable Version Share this resource Send a link to State and Local Solution Center: Financing Solutions to someone by E-mail Share State and Local Solution Center: Financing Solutions on Facebook Tweet about State and Local Solution Center: Financing Solutions on Twitter Bookmark State and Local Solution Center: Financing Solutions on Google Bookmark State and Local Solution Center: Financing Solutions on Delicious Rank State and Local Solution Center: Financing Solutions on Digg Find More places to share State and Local Solution Center: Financing Solutions on AddThis.com... Strategic Energy Planning Energy Policies & Programs Financing Financing Overview Financing Program Market Segments Energy Data Management Energy Technologies

223

Efficient indium-tin-oxide free inverted organic solar cells based on aluminum-doped zinc oxide cathode and low-temperature aqueous solution processed zinc oxide electron extraction layer  

SciTech Connect

Indium-tin-oxide (ITO) free inverted organic solar cells (IOSCs) based on aluminum-doped zinc oxide (AZO) cathode, low-temperature aqueous solution processed zinc oxide (ZnO) electron extraction layer, and poly(3-hexylthiophene-2, 5-diyl):[6, 6]-phenyl C{sub 61} butyric acid methyl ester blend were realized in this work. The resulted IOSC with ZnO annealed at 150?C shows the superior power conversion efficiency (PCE) of 3.01%, if decreasing the ZnO annealing temperature to 100?C, the obtained IOSC also shows a PCE of 2.76%, and no light soaking issue is observed. It is found that this ZnO film not only acts as an effective buffer layer but also slightly improves the optical transmittance of AZO substrates. Further, despite the relatively inferior air-stability, these un-encapsulated AZO/ZnO IOSCs show comparable PCEs to the referenced ITO/ZnO IOSCs, which demonstrates that the AZO cathode is a potential alternative to ITO in IOSCs. Meanwhile, this simple ZnO process is compatible with large area deposition and plastic substrates, and is promising to be widely used in IOSCs and other relative fields.

Chen, Dazheng; Zhang, Chunfu, E-mail: cfzhang@xidian.edu.cn; Wang, Zhizhe; Zhang, Jincheng; Tang, Shi; Wei, Wei; Sun, Li; Hao, Yue, E-mail: yhao@xidian.edu.cn [State Key Discipline Laboratory of Wide Band Gap Semiconductor Technology, School of Microelectronics, Xidian University, No. 2 South Taibai Road, Xi'an 710071 (China)

2014-06-16T23:59:59.000Z

224

Real-time quantum trajectories for classically allowed dynamics in strong laser fields  

E-Print Network (OSTI)

Both the physical picture of the dynamics of atoms and molecules in intense infrared fields and its theoretical description use the concept of electron trajectories. Here we address a key question which arises in this context: Are distinctly quantum features of these trajectories, such as the complex-valued coordinates, physically relevant in the classically allowed region of phase space, and what is their origin? First, we argue that solutions of classical equations of motion can account for quantum effects. To this end, we construct an exact solution to the classical Hamilton-Jacobi equation which accounts for dynamics of the wave packet, and show that this solution is physically correct in the limit $\\hbar \\to 0$. Second, we show that imaginary components of classical trajectories are directly linked to the finite size of the initial wavepacket in momentum space. This way, if the electronic wavepacket produced by optical tunneling in strong infrared fiels is localised both in coordinate and momentum, its m...

Plimak, L I

2015-01-01T23:59:59.000Z

225

Research on the Method for Simulating 3D Dynamic Process in Two-Dimensional Space and its Application in Developing Audio and Video Electronic Textbook  

Science Journals Connector (OSTI)

Some contents of audio and video electronic textbooks will involve in ... the flattening process of six principal views of engineering drawings. It is impossible to show the...

Fuxiang Liu

2014-01-01T23:59:59.000Z

226

Femtosecond-tunable measurement of electron thermalization in gold  

Science Journals Connector (OSTI)

Femtosecond electron thermalization in metals was investigated using transient thermomodulation transmissivity and reflectivity. Studies were performed using a tunable multiple-wavelength femtosecond pump-probe technique in optically thin gold films in the low perturbation limit. An IR pump beam is used to heat the electron distribution and changes in electron temperature are measured with a visible probe beam at the d band to Fermi-surface transition. We show that the subpicosecond optical response of gold is dominated by delayed thermalization of the electron gas. This effect is particularly important far off the spectral peak of the reflectivity or transmissivity changes, permitting a direct and sensitive access to the internal thermalization of the electron gas. Using a simple rate-equation model, line-shape analysis of the transient reflectivity and transmissivity indicates a thermalization time of the order of 500 fs. At energies close to the Fermi surface, longer thermalization times ?12 ps are observed. These results are in agreement with a more sophisticated model based on calculations of the electron-thermalization dynamics by numerical solutions of the Boltzmann equation. This model quantitatively describes the measured transient optical response during the full thermalization time of electron gas, of the order of 1.5 ps, and gives new insight into electron thermalization in metals.

C.-K. Sun; F. Valle; L. H. Acioli; E. P. Ippen; J. G. Fujimoto

1994-11-15T23:59:59.000Z

227

Modification of Defect Structures in Graphene by Electron Irradiation...  

NLE Websites -- All DOE Office Websites (Extended Search)

Modification of Defect Structures in Graphene by Electron Irradiation: Ab Initio Molecular Dynamics Simulations. Modification of Defect Structures in Graphene by Electron...

228

A Radiation-Hard Dual Channel 4-bit Pipeline for a 12-bit 40 MS/s ADC Prototype with extended Dynamic Range for the ATLAS Liquid Argon Calorimeter Readout Electronics Upgrade at the CERN LHC  

E-Print Network (OSTI)

The design of a radiation-hard dual channel 12-bit 40 MS/s pipeline ADC with extended dynamic range is presented, for use in the readout electronics upgrade for the ATLAS Liquid Argon Calorimeters at the CERN Large Hadron Collider. The design consists of two pipeline A/D channels with four Multiplying Digital-to-Analog Converters with nominal 12-bit resolution each. The design, fabricated in the IBM 130 nm CMOS process, shows a performance of 68 dB SNDR at 18 MHz for a single channel at 40 MS/s while consuming 55 mW/channel from a 2.5 V supply, and exhibits no performance degradation after irradiation. Various gain selection algorithms to achieve the extended dynamic range are implemented and tested.

Jayanth Kuppambatti; Jaroslav Ban; Timothy Andeen; Peter Kinget; Gustaaf Brooijmans

2013-07-31T23:59:59.000Z

229

The electronic properties and lattice dynamics of (Na{sub 0.5}Bi{sub 0.5})TiO{sub 3}: From cubic to tetragonal and rhombohedral phases  

SciTech Connect

The structural, electronic and dynamical properties of the cubic, tetragonal and rhombohedral phases of a lead-free ferroelectrics, (Na{sub 0.5}Bi{sub 0.5})TiO{sub 3} (NBT), have been studied with a density functional formalism. The direct band gap is determined to be 2?3?eV for three phases, suggesting them to be good optical material. The equilibrium structures were given, and the importance of Bi atom in the low-symmetry ferroelectric phases were investigated with the electron localization functions analysis. The vibration modes at the ? point were calculated to provide a basis for analyzing the Raman and IR spectra. Soft modes were found in both the cubic and the tetragonal phases, providing a clue in understanding the ferroelectric phase transition in NBT.

L, Hongfeng [Department of Applied Physics, College of Science, China Agricultural University, Beijing 100083 (China); Wang, Shanying [Department of Physics, Tsinghua University, Beijing 100084 (China); Wang, Xiaosu, E-mail: xiaosuwang@cau.edu.cn [Department of Applied Physics, College of Science, China Agricultural University, Beijing 100083 (China); Department of Physics, Tsinghua University, Beijing 100084 (China)

2014-03-28T23:59:59.000Z

230

Time-dependent density-functional theory for molecular processes in strong fields: Study of multiphoton processes and dynamical response of individual valence electrons of N2 in intense laser fields  

E-Print Network (OSTI)

in the exchange ~x!- only limit. In the latter approach @1#, theTime-dependent density-functional theor Study of multiphoton processes and dynam of N2 in inten Xi Chu and Department of Chemistry, University of Kansas, and Kansas Ce ~Received 30 July 2001; pu We...-I CHU PHYSICAL REVIEW A 64 0634041sg 21su 22sg 22su 21pu 43sg 2 . According to the valence bond theory, this molecule has a triple bond formed with 3sg and 1pu electrons. The 3sg orbital is parallel to the internuclear axis and the two degen- erate 1pu...

Chu, Xi; Chu, Shih-I

2001-11-14T23:59:59.000Z

231

Chemical, Electronic and Nanostructure Dynamics on Sr(Ti[subscript 1 - x]FE[subscript x])O[subscript 3] Thin-Film Surfaces at High Temperatures  

E-Print Network (OSTI)

The surface structure, chemical composition and electronic structure of Sr(Ti1-xFex)O3 under different temperatures and oxygen pressures were studied by Scanning Tunneling Microscopy / Spectroscopy (STM/S) and X-ray ...

Chen, Yan

232

PHYSICAL REVIEW B 85, 205431 (2012) Momentum-resolved electron dynamics of image-potential states on Cu and Ag surfaces  

E-Print Network (OSTI)

Physik und Zentrum f¨ur Materialwissenschaften, Philipps-Universit¨at, D-35032 Marburg, Germany 2 Country, Spain 5 ERATO, Japan Science and Technology Agency (JST), 3-2-1, Sakado, Takatsu-ku, Kawasaki 213) The dependence of the inelastic lifetime of electrons in the first n = 1 image-potential state of clean and rare

233

Visualizing Macromolecular Complexes with In Situ Liquid Scanning Transmission Electron Microscopy  

SciTech Connect

A central focus of biological research is understanding the structure/function relationship of macromolecular protein complexes. Yet conventional transmission electron microscopy techniques are limited to static observations. Here we present the first direct images of purified macromolecular protein complexes using in situ liquid scanning transmission electron microscopy. Our results establish the capability of this technique for visualizing the interface between biology and nanotechnology with high fidelity while also probing the interactions of biomolecules within solution. This method represents an important advancement towards allowing future high-resolution observations of biological processes and conformational dynamics in real-time.

Evans, James E.; Jungjohann, K. L.; Wong, Peony C. K.; Chiu, Po-Lin; Dutrow, Gavin H.; Arslan, Ilke; Browning, Nigel D.

2012-11-01T23:59:59.000Z

234

Accelerating Solutions  

NLE Websites -- All DOE Office Websites (Extended Search)

Solutions From vehicles on the road to the energy that powers them, Oak Ridge National Laboratory innovations are advancing American transportation. Oak Ridge National Laboratory is making an impact on everyday America by enhancing transportation choices and quality of life. Through strong collaborative partnerships with industry, ORNL research and development efforts are helping accelerate the deployment of a new generation of energy efficient vehicles powered by domestic, renewable, clean energy. EPA ultra-low sulfur diesel fuel rule ORNL and the National Renewable Energy Laboratory co-led a comprehensive research and test program to determine the effects of diesel fuel sulfur on emissions and emission control (catalyst) technology. In the course of this program, involving

235

Brownian Dynamics Simulation of Protein Solutions: Structural...  

NLE Websites -- All DOE Office Websites (Extended Search)

for understanding the behavior of many fundamental cellular processes, such as protein folding, self-assembly, biochemical reactions, and signal transduction. Here, we describe...

236

Precise solution to a model of the kinetic equation  

Science Journals Connector (OSTI)

Precise solutions of the stationary Fokker-Plank-type equation are obtained in quadratures for two- and three-dimensional electron gases. These solutions relate only to the case when electron-electron interaction is omitted. To illustrate our method we consider the example of the interaction of electrons with optical phonons at high temperatures where the approximation of small-angle scattering is appropriate. Comparison of mobilities calculated by our method and the obvious ? approximation gives the divergence only in numerical multiplier.

I. I. Boiko and A. L. Chudnovskiy

1997-02-15T23:59:59.000Z

237

Cisplatin Binding to DNA Oligomers from Hybrid Car-Parrinello/Molecular Dynamics Simulations  

Science Journals Connector (OSTI)

The first-principles calculations are carried out with the Car-Parrinello approach,52 which has proven to reliably describe structure, dynamics, and electronic properties of platinum?nucleotide complexes in the solid state53 as well as in water solution. ... There are more than three waters in the first solvation shell of AM1. ... The predictive power of our computational setup was investigated by constructing a structural model of platinated DNA. ...

Katrin Spiegel; Ursula Rothlisberger; Paolo Carloni

2004-01-29T23:59:59.000Z

238

Dynamical steering in an electron transfer surface reaction: Oriented NO(v = 3, 0.08 < E{sub i} < 0.89 eV) relaxation in collisions with a Au(111) surface  

SciTech Connect

We report measurements of the incidence translational energy dependence of steric effects in collisions of NO(v = 3) molecules with a Au(111) surface using a recently developed technique to orient beams of vibrationally excited NO molecules at incidence energies of translation between 0.08 and 0.89 eV. Incidence orientation dependent vibrational state distributions of scattered molecules are detected by means of resonance enhanced multiphoton ionization spectroscopy. Molecules oriented with the N-end towards the surface exhibit a higher vibrational relaxation probability than those oriented with the O-end towards the surface. This strong orientation dependence arises from the orientation dependence of the underlying electron transfer reaction responsible for the vibrational relaxation. At reduced incidence translational energy, we observe a reduced steric effect. This reflects dynamical steering and re-orientation of the NO molecule upon its approach to the surface.

Bartels, Nils; Golibrzuch, Kai; Bartels, Christof; Schfer, Tim, E-mail: tschaef4@gwdg.de [Institute of Physical Chemistry, Georg-August University of Gttingen, Tammannstrae 6, 37077 Gttingen (Germany)] [Institute of Physical Chemistry, Georg-August University of Gttingen, Tammannstrae 6, 37077 Gttingen (Germany); Chen, Li [Department of Dynamics at Surfaces, Max Planck Institute for Biophysical Chemistry, Am Faberg 11, 37077 Gttingen (Germany)] [Department of Dynamics at Surfaces, Max Planck Institute for Biophysical Chemistry, Am Faberg 11, 37077 Gttingen (Germany); Auerbach, Daniel J.; Wodtke, Alec M. [Institute of Physical Chemistry, Georg-August University of Gttingen, Tammannstrae 6, 37077 Gttingen (Germany) [Institute of Physical Chemistry, Georg-August University of Gttingen, Tammannstrae 6, 37077 Gttingen (Germany); Department of Dynamics at Surfaces, Max Planck Institute for Biophysical Chemistry, Am Faberg 11, 37077 Gttingen (Germany)

2014-02-07T23:59:59.000Z

239

Electronic-structure calculations in adaptive coordinates  

Science Journals Connector (OSTI)

The plane-wave method for electronic-structure calculations is reformulated in generalized curvilinear coordinates. This introduces a new set of basis functions that depend continuously on a coordinate transformation, and can adapt themselves to represent optimally the solutions of the Schrdinger equation. As a consequence, the effective plane-wave energy cutoff is allowed to vary in the unit cell in an unbiased way. The efficiency of this method is demonstrated in the calculation of the equilibrium structures of the CO and H2O molecules using the local-density approximation of density-functional theory, and norm-conserving, nonlocal pseudopotentials. The easy evaluation of forces on all degrees of freedom makes the method suitable for ab initio molecular-dynamics applications.

Franois Gygi

1993-10-15T23:59:59.000Z

240

2010 Water & Aqueous Solutions  

SciTech Connect

Water covers more than two thirds of the surface of the Earth and about the same fraction of water forms the total mass of a human body. Since the early days of our civilization water has also been in the focus of technological developments, starting from converting it to wine to more modern achievements. The meeting will focus on recent advances in experimental, theoretical, and computational understanding of the behavior of the most important and fascinating liquid in a variety of situations and applications. The emphasis will be less on water properties per se than on water as a medium in which fundamental dynamic and reactive processes take place. In the following sessions, speakers will discuss the latest breakthroughs in unraveling these processes at the molecular level: Water in Solutions; Water in Motion I and II; Water in Biology I and II; Water in the Environment I and II; Water in Confined Geometries and Water in Discussion (keynote lecture and poster winners presentations).

Dor Ben-Amotz

2010-08-13T23:59:59.000Z

Note: This page contains sample records for the topic "dynamic electron solutions" from the National Library of EnergyBeta (NLEBeta).
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241

SMUD's Residential Summer Solutions Study  

NLE Websites -- All DOE Office Websites (Extended Search)

SMUD's Residential Summer Solutions Study SMUD's Residential Summer Solutions Study Speaker(s): Karen Herter Date: August 26, 2011 - 12:00pm Location: 90-3122 Seminar Host/Point of Contact: Janie Page In 2009, the DRRC and SMUD teamed up to test the use of dynamic pricing and communicating thermostats in the small commercial sector. The final results showed summer energy savings of 20%, event impacts of 14%, and bill savings of 25%. In 2011, the same team will conduct a similar study involving residential customers with interval meters. The study is designed to inform the transition to the Sacramento smart grid through experimentation with real-time energy use data and communicating thermostats, both with and without dynamic pricing. Three randomly chosen groups of residential customers were offered one of three equipment configuration treatments: (a)

242

Evolution of low-energy spin dynamics in the electron-doped high-transition-temperature superconductor Pr{sub 0.88}LaCe{sub 0.12}CuO{sub 4-{delta}}  

SciTech Connect

We use inelastic neutron scattering to explore the evolution of the low energy spin dynamics in the electron-doped cuprate Pr{sub 0.88}LaCe{sub 0.12}CuO{sub 4-{delta}} (PLCCO) as the system is tuned from its nonsuperconducting, as-grown antiferromagnetic (AF) state into an optimally doped superconductor (T{sub c}{approx_equal}24 K) without static AF order. The low-temperature, low-energy response of the spin excitations in underdoped samples is coupled to the presence of the AF phase, whereas the low-energy magnetic response for samples near optimal T{sub c} exhibits spin fluctuations surprisingly insensitive to the sample temperature. This evolution of the low-energy excitations is consistent with the influence of a quantum critical point in the phase diagram of PLCCO associated with the suppression of the static AF order. We carried out scaling analysis of the data and discuss the influence of quantum critical dynamics in the observed excitation spectrum.

Wilson, Stephen D.; Li Shiliang [Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee 37996-1200 (United States); Dai Pengcheng [Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee 37996-1200 (United States); Center for Neutron Scattering, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6393 (United States); Bao, Wei [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Chung, Jae-Ho; Kang, H. J. [NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-8562 (United States); Department of Materials Science and Engineering, University of Maryland, College Park, Maryland 20742-2115 (United States); Lee, Seung-Hun [Department of Physics, University of Virginia, Charlottesville, Virginia 22904-4714 (United States); Komiya, Seiki; Ando, Yoichi [Central Research Institute of Electric Power Industry, Komae, Tokyo 201-8511 (Japan); Si, Qimiao [Department of Physics and Astronomy, Rice University, Houston, Texas 77005 (United States)

2006-10-01T23:59:59.000Z

243

Hybrid Planar FEM in Magnetoresonance Regime: Control of Dynamical Chaos  

E-Print Network (OSTI)

We establish the influence of nonlinear electron dynamics in the magnetostatic field of a hybrid planar free-electron maser on its gain and interaction efficiency. Even for the `ideal' undulator magnetic field the presence of uniform longitudinal (guide) magnetic field potentially leads to the existence of chaotic zone around certain (magnetoresonant) value of the guide magnetic field. The width of the chaotic zone is given by the Chirikov resonance-overlap criterion applied to the normal undulator and cyclotron frequencies with respect to the coupling induced by the undulator magnetic field. Using analytical asymptotically exact solutions for trajectories of individual test electrons, we show that the magnetoresonant multiplier in electron trajectories is also present in the expression for the gain. The same Chirikov resonance-overlap criterion allows us to estimate analytically the maximal magnetoresonant gain of a hybrid planar free-electron maser showing that, in spite of the well-known drop in the gain for the exact magnetoresonance, the operation regime in the zone of regular dynamics slightly above the magnetoresonant value of the guide magnetic field is the preferable one.

Vitaliy A. Goryashko; Kostyantyn Ilyenko; Anatoliy Opanasenko

2008-06-18T23:59:59.000Z

244

Hole burning with pressure and electric field: A window on the electronic structure and energy transfer dynamics of bacterial antenna complexes  

SciTech Connect

Light-harvesting (LH) complexes of cyclic (C{sub n}) symmetry from photosynthetic bacteria are studied using absorption and high pressure- and Stark-hole burning spectroscopies. The B800 absorption band of LH2 is inhomogeneously broadened while the B850 band of LH2 and the B875 band of the LH1 complex exhibit significant homogeneous broadening due to ultra-fast inter-exciton level relaxation. The B800{r_arrow}B850 energy transfer rate of ({approximately}2 ps){sup {minus}1} as determined by hole burning and femtosecond pump-probe spectroscopies, is weakly dependent on pressure and temperature, both of which significantly affect the B800-B850 energy gap. The resilience is theoretically explained in terms of a modified Foerster theory with the spectral overlap provided by the B800 fluorescence origin band and weak vibronic absorption bands of B850. Possible explanations for the additional sub-picosecond relaxation channel of B800 observed with excitation on the blue side of B800 are given. Data from pressure and temperature dependent studies show that the B800 and B850 bacteriochlorophyll a (BChl a) molecules are weakly and strongly excitonically coupled, respectively, which is consistent with the X-ray structure of LH2. The B875 BChl a molecules are also strongly coupled. It is concluded that electron-exchange, in addition to electrostatic interactions, is important for understanding the strong coupling of the B850 and B875 rings. The large linear pressure shifts of {approximately}{minus}0.6 cm{sup {minus}1}/MPa associated with B850 and B875 can serve as important benchmarks for electronic structure calculations.

Wu, H.M.

1999-02-12T23:59:59.000Z

245

ElectronicFabrication  

NLE Websites -- All DOE Office Websites (Extended Search)

Fabrication Fabrication Manufacturing Technologies Electronic Fabrication provides our cus- tomers solutions for the packaging design, production acceptable prototype fabrica- tion, or deliverable production fabrication. Capabilities * Final electronic product packaging from sketches and verbal instructions * Provide CAD drawing package after project completion if no formal prints are available * Complete system development and fab- rication through concurrent engineering * Concurrent engineering in prototype and production fabrication * Integrate commercial equipment into prototype system design * Implementation and modification of commercial equipment * Packaging of prototype into finalized product assembly Resources * Customer assistance from fabrication, to testing, to complete system installation

246

CURRENTS DRIVEN BY ELECTRON CYCLOTRON WAVES  

E-Print Network (OSTI)

CURRENTS DRIVEN BY ELECTRON CYCLOTRON WAVES C.F.F. KARNEY, NJ. FISCH Plasma Physics Laboratory of the generation of steady-state currents by electron cyclotron waves are explored. A numerical solution of electron cyclotron wave absorption appears to be one of the more promising schemes of providing a steady

Karney, Charles

247

Development of the doppler electron velocimeter: theory.  

SciTech Connect

Measurement of dynamic events at the nano-scale is currently impossible. This paper presents the theoretical underpinnings of a method for making these measurements using electron microscopes. Building on the work of Moellenstedt and Lichte who demonstrated Doppler shifting of an electron beam with a moving electron mirror, further work is proposed to perfect and utilize this concept in dynamic measurements. Specifically, using the concept of ''fringe-counting'' with the current principles of transmission electron holography, an extension of these methods to dynamic measurements is proposed. A presentation of the theory of Doppler electron wave shifting is given, starting from the development of the de Broglie wave, up through the equations describing interference effects and Doppler shifting in electron waves. A mathematical demonstration that Doppler shifting is identical to the conceptually easier to understand idea of counting moving fringes is given by analogy to optical interferometry. Finally, potential developmental experiments and uses of a Doppler electron microscope are discussed.

Reu, Phillip L.

2007-03-01T23:59:59.000Z

248

Liquid-state polaron theory of the hydrated electron revisited  

E-Print Network (OSTI)

The quantum path integral/classical liquid-state theory of Chandler and co-workers, created to describe an excess electron in solvent, is re-examined for the hydrated electron. The portion that models electron-water density correlations is replaced by two equations: the range optimized random phase approximation (RO-RPA), and the DRL approximation to the "two-chain" equation, both shown previously to describe accurately the static structure and thermodynamics of strongly charged polyelectrolyte solutions. The static equilibrium properties of the hydrated electron are analyzed using five different electron-water pseudopotentials. The theory is then compared with data from mixed quantum/classical Monte Carlo and molecular dynamics simulations using these same pseudopotentials. It is found that the predictions of the RO-RPA and DRL-based polaron theories are similar and improve upon previous theory, with values for almost all properties analyzed in reasonable quantitative agreement with the available simulation data. Also, it is found using the Larsen, Glover and Schwartz pseudopotential that the theories give values for the solvation free energy that are at least three times larger than that from experiment.

James P. Donley; David R. Heine; Caleb A. Tormey; David T. Wu

2014-12-25T23:59:59.000Z

249

Non-Born?Oppenheimer Molecular Dynamics  

Science Journals Connector (OSTI)

Non-Born?Oppenheimer Molecular Dynamics ... Electronically nonadiabatic or non-Born?Oppenheimer (non-BO) chemical processes (photodissociation, charge-transfer, etc.) involve a nonradiative change in the electronic state of the system. ...

Ahren W. Jasper; Shikha Nangia; Chaoyuan Zhu; Donald G. Truhlar

2005-08-17T23:59:59.000Z

250

El Paso Electric Company - Residential Solutions Program | Department of  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Residential Solutions Program Residential Solutions Program El Paso Electric Company - Residential Solutions Program < Back Eligibility Installer/Contractor Residential Savings Category Home Weatherization Commercial Weatherization Sealing Your Home Heating & Cooling Commercial Heating & Cooling Cooling Ventilation Heat Pumps Appliances & Electronics Commercial Lighting Lighting Windows, Doors, & Skylights Program Info State Texas Program Type Utility Rebate Program Rebate Amount Residential Solutions Program: $425/kW saved Low-Income Solutions Program: $576/kW saved Provider El Paso Electric Company '''The El Paso Electric Residential Solutions Program funding has been expended in Texas for 2012. New funding will be available January 1, 2013. ''' The El Paso Electric Residential Solutions Program offers El Paso Electric

251

Viscosity of polymer solutions  

Science Journals Connector (OSTI)

Viscosity of polymer solutions ... Abstracts for Volume 5A, Number 2. This program contains three components: "Density of Liquids", "Viscosity of Liquids", and "Viscosity of Polymer Solutions". ...

Gary L. Bertrand

1992-01-01T23:59:59.000Z

252

THE DAYLIGHTING SOLUTION  

E-Print Network (OSTI)

1980, pp.l4-20 THE DAYLIGHTING SOLUTION Stephen SelkowitzEEB-W-80-19 W-74 THE DAYLIGHTING SOLUTION Stephen Selkowitz

Selkowitz, Stephen

2013-01-01T23:59:59.000Z

253

THz Dynamic Nuclear Polarization NMR  

E-Print Network (OSTI)

Dynamic nuclear polarization (DNP) increases the sensitivity of nuclear magnetic resonance (NMR) spectroscopy by using high frequency microwaves to transfer the polarization of the electrons to the nuclear spins. The ...

Nanni, Emilio Alessandro

254

ESR lineshape and {sup 1}H spin-lattice relaxation dispersion in propylene glycol solutions of nitroxide radicals Joint analysis  

SciTech Connect

Electron Spin Resonance (ESR) spectroscopy and Nuclear Magnetic Relaxation Dispersion (NMRD) experiments are reported for propylene glycol solutions of the nitroxide radical: 4-oxo-TEMPO-d{sub 16} containing {sup 15}N and {sup 14}N isotopes. The NMRD experiments refer to {sup 1}H spin-lattice relaxation measurements in a broad frequency range (10 kHz20 MHz). A joint analysis of the ESR and NMRD data is performed. The ESR lineshapes give access to the nitrogen hyperfine tensor components and the rotational correlation time of the paramagnetic molecule. The NMRD data are interpreted in terms of the theory of paramagnetic relaxation enhancement in solutions of nitroxide radicals, recently presented by Kruk et al. [J. Chem. Phys. 138, 124506 (2013)]. The theory includes the effect of the electron spin relaxation on the {sup 1}H relaxation of the solvent. The {sup 1}H relaxation is caused by dipole-dipole interactions between the electron spin of the radical and the proton spins of the solvent molecules. These interactions are modulated by three dynamic processes: relative translational dynamics of the involved molecules, molecular rotation, and electron spin relaxation. The sensitivity to rotation originates from the non-central positions of the interacting spin in the molecules. The electronic relaxation is assumed to stem from the electron spinnitrogen spin hyperfine coupling, modulated by rotation of the radical molecule. For the interpretation of the NMRD data, we use the nitrogen hyperfine coupling tensor obtained from ESR and fit the other relevant parameters. The consistency of the unified analysis of ESR and NMRD, evaluated by the agreement between the rotational correlation times obtained from ESR and NMRD, respectively, and the agreement of the translation diffusion coefficients with literature values obtained for pure propylene glycol, is demonstrated to be satisfactory.

Kruk, D., E-mail: danuta.kruk@matman.uwm.edu.pl [University of Warmia and Mazury in Olsztyn, Faculty of Mathematics and Computer Science, Sloneczna 54, PL-10710 Olsztyn (Poland); Hoffmann, S. K.; Goslar, J.; Lijewski, S. [Institute of Molecular Physics, Polish Academy of Sciences, Smoluchowskiego 17, 60-179 Poznan (Poland)] [Institute of Molecular Physics, Polish Academy of Sciences, Smoluchowskiego 17, 60-179 Poznan (Poland); Kubica-Misztal, A.; Korpa?a, A.; Oglodek, I.; Moscicki, J. [Institute of Physics, Jagiellonian University, Reymonta 4, 30-059 Krakow (Poland)] [Institute of Physics, Jagiellonian University, Reymonta 4, 30-059 Krakow (Poland); Kowalewski, J. [Arrhenius Laboratory, Department of Materials and Environmental Chemistry, Stockholm University, S-106 91 Stockholm (Sweden)] [Arrhenius Laboratory, Department of Materials and Environmental Chemistry, Stockholm University, S-106 91 Stockholm (Sweden); Rssler, E. A. [Universitt Bayreuth, Experimentalphysik II, 95440 Bayreuth (Germany)] [Universitt Bayreuth, Experimentalphysik II, 95440 Bayreuth (Germany)

2013-12-28T23:59:59.000Z

255

A Birkhoff theorem for Shape Dynamics  

E-Print Network (OSTI)

Shape Dynamics is a theory of gravity that replaces refoliation invariance for spatial Weyl invariance. Those solutions of the Einstein equations that have global, constant mean curvature slicings, are mirrored by solutions in Shape Dynamics. However, there are solutions of Shape Dynamics that have no counterpart in General relativity, just as there are solutions of GR that are not completely foliable by global constant mean curvature slicings (such as the Schwarzschild spacetime). It is therefore interesting to analyze directly the equations of motion of Shape Dynamics in order to find its own solutions, irrespective of properties of known solutions of GR. Here I perform a first study in this direction by utilizing the equations of motion of Shape Dynamics in a spherically symmetric, asymptotically flat ansatz to derive an analogue of the Birkhoff theorem. There are two significant differences with respect to the usual Birkhoff theorem in GR. The first regards the construction of the solution: the spatial Weyl gauge freedom of shape dynamics is used to simplify the problem, and boundary conditions are required. In fact the derivation is simpler than the usual Birkhof theorem as no Christoffel symbols are needed. The second, and most important difference is that the solution obtained is uniquely the isotropic wormhole solution, in which no singularity is present, as opposed to maximally extended Schwarzschild. This provides an explicit example of the breaking of the duality between General relativity and Shape Dynamics, and exhibits some of its consequences.

Henrique Gomes

2013-05-01T23:59:59.000Z

256

Electron Transfer  

NLE Websites -- All DOE Office Websites (Extended Search)

3 3 Pierre Kennepohl1,2 and Edward Solomon1* 1Department of Chemistry, Stanford University, Stanford, CA 94305 Electron transfer, or the act of moving an electron from one place to another, is amongst the simplest of chemical processes, yet certainly one of the most critical. The process of efficiently and controllably moving electrons around is one of the primary regulation mechanisms in biology. Without stringent control of electrons in living organisms, life could simply not exist. For example, photosynthesis and nitrogen fixation (to name but two of the most well-known biochemical activities) are driven by electron transfer processes. It is unsurprising, therefore, that much effort has been placed on understanding the fundamental principles that control and define the simple act of adding and/or removing electrons from chemical species.

257

Financing Solutions | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Solution Center Financing Solutions Financing Solutions Transitioning to a clean energy economy requires innovative financing solutions that enable state, local, and tribal...

258

Contour dynamics, waves, and solitons in the quantum Hall effect  

Science Journals Connector (OSTI)

We present a theoretical study of the excitations on the edge of a two-dimensional electron system in a perpendicular magnetic field in terms of a contour dynamics formalism. In particular, we focus on edge excitations in the quantum Hall effect. Beyond the usual linear approximation, a nonlinear analysis of the shape deformations of an incompressible droplet yields soliton solutions which correspond to shapes that propagate without distortion. A perturbative analysis is used and the results are compared to analogous systems, like vortex patches in ideal hydrodynamics. Under a local induction approximation, we find that the contour dynamics is described by a nonlinear partial differential equation for the curvature: the modified Kortewegde Vries equation.

C. Wexler and Alan T. Dorsey

1999-10-15T23:59:59.000Z

259

2011 -2012 ...real solutions  

E-Print Network (OSTI)

such as recreation potential of disused quarries, use of innovative electronic methods of environmental

Paxton, Anthony T.

260

Electronic Document Tracking System (EDTS): A Prototype  

Science Journals Connector (OSTI)

With rapidly-changing technology and increasing emphasis in managing information properly, Electronic Document Tracking System (EDTS) has been developed as a solution system to improve the efficiency of retrie...

Rochin Demong; Lailatul Faizah Abu Hassan

2009-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "dynamic electron solutions" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


261

f(R) cosmological solutions with varying speed of light  

E-Print Network (OSTI)

We consider f(R) modified gravity theories for describing varying speed of light in a spatially flat FRW model, and find some exact solutions. Also we examine the dynamics of this model by dynamical system method assuming a LambdaCDM background and we find some exact solutions by considering the character of critical points of the theory in both formalisms. The behaviour of the speed of light is obtained.

Azam Izadi; Ali Shojai

2010-01-24T23:59:59.000Z

262

Electron Dynamics in Metallic Nanoparticles M. Aeschlimann  

E-Print Network (OSTI)

nanoparticles are discussed in the light of the results of line width measurements and femtosecond pump...............................................................................................................3 II. ADSORPTION OF LIGHT IN METALLIC NANOPARTICLES...................................4 A. General...............................................18 C. Heat transfer between the nanoparticles and the support

Bauer, Michael

263

Dynamic Electronic Control of Catalytic Converters  

Energy.gov (U.S. Department of Energy (DOE))

Poster presentation at the 2007 Diesel Engine-Efficiency & Emissions Research Conference (DEER 2007). 13-16 August, 2007, Detroit, Michigan. Sponsored by the U.S. Department of Energy's (DOE) Office of FreedomCAR and Vehicle Technologies (OFCVT).

264

Polarized Electrons  

Science Journals Connector (OSTI)

Since 1972, when the last survey of Polarized Electrons was presented at an International Conference on Atomic Physics, the field has progressed to the point where it has entered a new phase, one which, I beli...

M. S. Lubell

1977-01-01T23:59:59.000Z

265

Electron Bernstein  

NLE Websites -- All DOE Office Websites (Extended Search)

, where pe 2 e 2 n e 0 m e is the plasma frequency and ce eBm e is the cyclotron frequency. However, the elec- trostatic electron Bernstein wave EBW does...

266

Thermodynamics of dilute solutions  

Science Journals Connector (OSTI)

Thermodynamics of dilute solutions ... The development of the necessary thermodynamic equations directly in terms of molality is not common ... ...

Gabor Jancso; David V. Fenby

1983-01-01T23:59:59.000Z

267

Electron Beam Ion Sources  

E-Print Network (OSTI)

Electron beam ion sources (EBISs) are ion sources that work based on the principle of electron impact ionization, allowing the production of very highly charged ions. The ions produced can be extracted as a DC ion beam as well as ion pulses of different time structures. In comparison to most of the other known ion sources, EBISs feature ion beams with very good beam emittances and a low energy spread. Furthermore, EBISs are excellent sources of photons (X-rays, ultraviolet, extreme ultraviolet, visible light) from highly charged ions. This chapter gives an overview of EBIS physics, the principle of operation, and the known technical solutions. Using examples, the performance of EBISs as well as their applications in various fields of basic research, technology and medicine are discussed.

Zschornacka, G; Thorn, A

2013-01-01T23:59:59.000Z

268

Dynamics in the quantum Hall effect and the phase diagram of graphene  

E-Print Network (OSTI)

The dynamics responsible for lifting the degeneracy of the Landau levels in the quantum Hall (QH) effect in graphene is studied by utilizing a low-energy effective model with a contact interaction. A detailed analysis of the solutions of the gap equation for Dirac quasiparticles is performed at both zero and nonzero temperatures. The characteristic feature of the solutions is that the order parameters connected with the QH ferromagnetism and magnetic catalysis scenarios necessarily coexist. The solutions reproduce correctly the experimentally observed novel QH plateaus in graphene in strong magnetic fields. The phase diagram of this system in the plane of temperature and electron chemical potential is analyzed. The phase transitions corresponding to the transitions between different QH plateaus in graphene are described.

E. V. Gorbar; V. P. Gusynin; V. A. Miransky; I. A. Shovkovy

2008-08-28T23:59:59.000Z

269

Slime mould electronic oscillators  

E-Print Network (OSTI)

We construct electronic oscillator from acellular slime mould Physarum polycephalum. The slime mould oscillator is made of two electrodes connected by a protoplasmic tube of the living slime mould. A protoplasmic tube has an average resistance of 3~MOhm. The tube's resistance is changing over time due to peristaltic contractile activity of the tube. The resistance of the protoplasmic tube oscillates with average period of 73~sec and average amplitude of 0.6~MOhm. We present experimental laboratory results on dynamics of Physarum oscillator under direct current voltage up to 15~V and speculate that slime mould P. polycephalum can be employed as a living electrical oscillator in biological and hybrid circuits.

Adamatzky, Andrew

2014-01-01T23:59:59.000Z

270

Pulse radiolysis of solutions of sodium tetraphenylborate  

SciTech Connect

Pulse radiolysis of solutions of sodium tetraphenylborate (NaBPh/sub 4/) indicates that the absorption observed in organic amides with lambda/sub max/ in the range 650-724 nm is not due to Na/sup -/, an electron adduct to BPh/sub 4//sup -/, a triplet excited state, or a proton-donating solvent cation. Experiments in aqueous solution are described in which the reactions of selected radicals with NaBPh/sub 4/ are studied. One-electron oxidation of NaBPh/sub 4/ by N/sub 3//sup .-/ radicals yields a species, assumed to be NaBPh/sub 4//sup ./, with absorption maxima at 335 and 800 nm. A similar spectrum is observed on pulse radiolysis of solutions of NaBPh/sub 4/ in tetramethylurea (TMU), but the long-wavelength absorption is shifted to 725 nm. The formation of an oxidizing radical in irradiated TMU was confirmed by the observation of I/sub 2//sup .-/ on pulse radiolysis of solutions of KI in this solvent. Pulse radiolysis of solution of NaBPh/sub 4/ and KI in TMU demonstrated that these solutes compete for the oxidizing intermediate.

Liu, K.J.; Langan, J.R.; Salmon, G.A.; Holton, D.M.; Edwards, P.P.

1988-05-05T23:59:59.000Z

271

Formation of longitudinal nonlinear structures in the electron cloud of an electron-string ion source  

SciTech Connect

Accumulation of oscillating electrons in an electron-string ion source is simulated by the particle-in-cell method. The electrons are accumulated in a long trap into which an electron beam is injected. It is shown that a chain of alternating phase holes and squeezed states forms in the trap. The dynamical features of such a longitudinal structure, such as the double-pulse waveform and strong high-frequency oscillations of the accumulation current and the broadening of the electron distribution function, are qualitatively similar to those previously observed in experiments with the Krion-2 ion source operating in the electron-string mode.

Donets, E. D.; Donets, E. E.; Syresin, E. M. [Joint Institute for Nuclear Research (Russian Federation); Dubinov, A. E.; Makarov, I. V.; Sadovoy, S. A.; Saikov, S. K. [Russian Federal Nuclear Center-All-Russia Research Institute of Experimental Physics (Russian Federation); Tarakanov, V. P. [Russian Academy of Sciences, Joint Institute for High Temperatures (Russian Federation)

2009-01-15T23:59:59.000Z

272

Page 1 of 10 Electronic Neurons  

E-Print Network (OSTI)

of neurorehabilitative devices for blast injury. Constraint induced (CI) movement therapy has recently been shownPage 1 of 10 Draft Electronic Neurons: From Biomimetic Robots to Blast Neurorehabilitation Joseph on nonlinear dynamical models of neuron and synapse behavior. UCSD electronic neurons (ENs) are analog

Ayers, Joseph

273

Entergy New Orleans - Small Commercial and Industrial Solutions Program |  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Entergy New Orleans - Small Commercial and Industrial Solutions Entergy New Orleans - Small Commercial and Industrial Solutions Program Entergy New Orleans - Small Commercial and Industrial Solutions Program < Back Eligibility Commercial Industrial Savings Category Heating & Cooling Commercial Heating & Cooling Cooling Home Weatherization Construction Commercial Weatherization Design & Remodeling Other Heat Pumps Appliances & Electronics Commercial Lighting Lighting Manufacturing Windows, Doors, & Skylights Maximum Rebate $50,000 or full cost of upgrade Program Info Funding Source New Orleans City Council State Louisiana Program Type Utility Rebate Program Rebate Amount Energy Assessment: Free Small Commercial Solutions Efficiency Improvements: $0.125 per kWh saved Large Commercial and Industrial Solutions Lighting Improvements: $0.10 per

274

Bitcoin a Peer-to-Peer payment solution [Security Considerations  

E-Print Network (OSTI)

Bitcoin a Peer-to-Peer payment solution [Security Considerations] Jean-Guillaume Dumas University of distribution in the network 2. A PEER-TO-PEER PAYMENT SYSTEM: BITCOIN 2.1 Traditional Banking Electronic solutions like BitCoin (based on a peer- to-peer1 network). Here is a summary of the specifications of five

Dumas, Jean-Guillaume

275

Electron Impedances  

SciTech Connect

It is only recently, and particularly with the quantum Hall effect and the development of nanoelectronics, that impedances on the scale of molecules, atoms and single electrons have gained attention. In what follows the possibility that characteristic impedances might be defined for the photon and the single free electron is explored is some detail, the premise being that the concepts of electrical and mechanical impedances are relevant to the elementary particle. The scale invariant quantum Hall impedance is pivotal in this exploration, as is the two body problem and Mach's principle.

P Cameron

2011-12-31T23:59:59.000Z

276

Natural geometric representation for electron local observables  

SciTech Connect

An existence of the quartic identities for the electron local observables that define orthogonality relations for the 3D quantities quadratic in the electron observables is found. It is shown that the joint solution of the quartic and bilinear identities for the electron observables defines a unique natural representation of the observables. In the natural representation the vector type electron local observables have well-defined fixed positions with respect to a local 3D orthogonal reference frame. It is shown that the natural representation of the electron local observables can be defined in six different forms depending on a choice of the orthogonal unit vectors. The natural representation is used to determine the functional dependence of the electron wave functions on the local observables valid for any shape of the electron wave packet. -- Highlights: Quartic identities that define the orthogonality relations for the electron local observables are found. Joint solution of quartic and bilinear identities defines a unique natural representation of the electron local observables. Functional dependence of the electron wave functions on the electron local observables is determined.

Minogin, V.G., E-mail: minogin@isan.troitsk.ru

2014-03-15T23:59:59.000Z

277

Electronic Coupling Dependence of Ultrafast Interfacial Electron Transfer on Nanocrystalline Thin Films and Single Crystal  

SciTech Connect

The long-term goal of the proposed research is to understand electron transfer dynamics in nanoparticle/liquid interface. This knowledge is essential to many semiconductor nanoparticle based devices, including photocatalytic waste degradation and dye sensitized solar cells.

Lian, Tianquan

2014-04-22T23:59:59.000Z

278

Fundamental electron-precursor-solid interactions derived from time dependent electron beam induced deposition simulations and experiments  

SciTech Connect

Unknown parameters critical to understanding the electron-precursor substrate interactions during electron beam induced deposition (EBID) have long limited our ability to fully control this nanoscale, directed assembly method. We report here values for the fundamental interaction parameters of D, the precursor surface diffusion coefficient, delta, the sticking probability and tau, the mean surface residence time which are critical parameters for understanding the assembly of EBID deposits. Values of D=6.4um2s-1, delta=0.0250 and tau=3.2ms were determined for a commonly used precursor molecule tungsten hexacarbonyl W(CO)6. Space and time predictions of the adsorbed precursor coverage C(r,t) were solved by an explicit finite differencing numerical scheme. Evolving nanopillar surface morphology was derived from solutions of C(r,t) considering electron induced dissociation as the critical depletion term. This made it possible to infer the space and time dependent precursor coverage both on, and around nanopillar structures to better understand local precursor dynamics during mass transport limited (MTL) and reaction rate limited (RRL) EBID.

Fowlkes, Jason Davidson [ORNL; Rack, Philip D [ORNL

2010-01-01T23:59:59.000Z

279

Solution deposition assembly  

DOE Patents (OSTI)

Methods and devices are provided for improved deposition systems. In one embodiment of the present invention, a deposition system is provided for use with a solution and a substrate. The system comprises of a solution deposition apparatus; at least one heating chamber, at least one assembly for holding a solution over the substrate; and a substrate curling apparatus for curling at least one edge of the substrate to define a zone capable of containing a volume of the solution over the substrate. In another embodiment of the present invention, a deposition system for use with a substrate, the system comprising a solution deposition apparatus; at heating chamber; and at least assembly for holding solution over the substrate to allow for a depth of at least about 0.5 microns to 10 mm.

Roussillon, Yann; Scholz, Jeremy H; Shelton, Addison; Green, Geoff T; Utthachoo, Piyaphant

2014-01-21T23:59:59.000Z

280

Electron Trapping by Molecular Vibration  

NLE Websites -- All DOE Office Websites (Extended Search)

Electron Trapping by Molecular Vibration Print Electron Trapping by Molecular Vibration Print In photoelectron spectroscopy experiments performed at the ALS, a group of researchers has found that electronic transitions normally thought to be forbidden can in fact be excited in conjunction with certain types of molecular vibrations. Specifically, they found that when the symmetry of a linear triatomic molecule is broken by asymmetric vibrational modes, photoelectrons can become temporarily trapped by the molecule before ultimately escaping, giving rise to a broad feature in the photoelectron spectrum known as a shape resonance. This process represents a novel type of symmetry-breaking phenomenon that has not been observed previously but appears to be widespread. Such coupling between electronic motion and nuclear motion becomes increasingly important as scientists learn more about the geometry and dynamics of novel chemical structures such as those found in nanodevices and transient chemical species, and the results have implications for studies that use photoelectron spectroscopy as a diagnostic tool.

Note: This page contains sample records for the topic "dynamic electron solutions" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


281

Electron Trapping by Molecular Vibration  

NLE Websites -- All DOE Office Websites (Extended Search)

Electron Trapping by Molecular Vibration Print Electron Trapping by Molecular Vibration Print In photoelectron spectroscopy experiments performed at the ALS, a group of researchers has found that electronic transitions normally thought to be forbidden can in fact be excited in conjunction with certain types of molecular vibrations. Specifically, they found that when the symmetry of a linear triatomic molecule is broken by asymmetric vibrational modes, photoelectrons can become temporarily trapped by the molecule before ultimately escaping, giving rise to a broad feature in the photoelectron spectrum known as a shape resonance. This process represents a novel type of symmetry-breaking phenomenon that has not been observed previously but appears to be widespread. Such coupling between electronic motion and nuclear motion becomes increasingly important as scientists learn more about the geometry and dynamics of novel chemical structures such as those found in nanodevices and transient chemical species, and the results have implications for studies that use photoelectron spectroscopy as a diagnostic tool.

282

THEMIS Observations of the Magnetopause Electron Diffusion Region: Large Amplitude Waves and Heated Electrons  

E-Print Network (OSTI)

We present the first observations of large amplitude waves in a well-defined electron diffusion region at the sub-solar magnetopause using data from one THEMIS satellite. These waves identified as whistler mode waves, electrostatic solitary waves, lower hybrid waves and electrostatic electron cyclotron waves, are observed in the same 12-sec waveform capture and in association with signatures of active magnetic reconnection. The large amplitude waves in the electron diffusion region are coincident with abrupt increases in electron parallel temperature suggesting strong wave heating. The whistler mode waves which are at the electron scale and enable us to probe electron dynamics in the diffusion region were analyzed in detail. The energetic electrons (~30 keV) within the electron diffusion region have anisotropic distributions with T_{e\\perp}/T_{e\\parallel}>1 that may provide the free energy for the whistler mode waves. The energetic anisotropic electrons may be produced during the reconnection process. The whi...

Tang, Xiangwei; Dombeck, John; Dai, Lei; Wilson, Lynn B; Breneman, Aaron; Hupach, Adam

2013-01-01T23:59:59.000Z

283

Gas-Phase Molecular Dynamics  

NLE Websites -- All DOE Office Websites (Extended Search)

Gas-Phase Molecular Dynamics Gas-Phase Molecular Dynamics The Gas-Phase Molecular Dynamics Group is dedicated to developing and applying spectroscopic and theoretical tools to challenging problems in chemical physics related to reactivity, structure, dynamics and kinetics of transient species. Recent theoretical work has included advances in exact variational solution of vibrational quantum dynamics, suitable for up to five atoms in systems where large amplitude motion or multiple strongly coupled modes make simpler approximations inadequate. Other theoretical work, illustrated below, applied direct dynamics, quantum force trajectory calculations to investigate a series of reactions of the HOCO radical. The potential energy surface for the OH + CO/ H + CO2 reaction, showing two barriers (TS1 and TS2) and the deep HOCO well along the minimum energy pathway. The inset figure shows the experimental and calculated reactivity of HOCO with selected collision partners. See J.S. Francisco, J.T. Muckerman and H.-G. Yu, "HOCO radical chemistry,"

284

Solution 3 - Spring 2011  

E-Print Network (OSTI)

Neglecting air resistance, find the maximum height above the roadway which the particle can reach. Solution: (by Shuhao Cao, Graduate student, Mathematics).

285

Ultrafast Core-Hole Induced Dynamics in Water  

NLE Websites -- All DOE Office Websites (Extended Search)

chemistry community to unravel the early time dynamics of electronically excited states in water because their short (femtosecond) time scales are difficult to access...

286

Cyanide Solution | EMSL  

NLE Websites -- All DOE Office Websites (Extended Search)

now. By combining temperature-controlled photoelectron spectroscopy and ab initio electronic structure calculations, scientists from the Department of Energy's (DOE) EMSL,...

287

Dispersant solutions for dispersing hydrocarbons  

DOE Patents (OSTI)

A dispersant solution includes a hydrocarbon dispersing solution derived from a bacterium from ATCC 75527, ATCC 75529, or ATCC 55638.

Tyndall, R.L.

1997-03-11T23:59:59.000Z

288

TRANSMISSION ELECTRON MICROSCOPY OF WEAKLY DEFORMED ALKALI HALIDE CRYSTALS  

E-Print Network (OSTI)

377 TRANSMISSION ELECTRON MICROSCOPY OF WEAKLY DEFORMED ALKALI HALIDE CRYSTALS H. STRUNK Max'importance croissante du durcissement de la solution solide. Abstract. 2014 Transmission electron microscopy (TEM Abstracts 7j66 - 7 I' 1. Introduction. - It is only some years ago that transmission electron microscopy

Boyer, Edmond

289

Design of an Electron Gun using Computer Optimization  

E-Print Network (OSTI)

Design of an Electron Gun using Computer Optimization B. M. Lewis H. T. Tran Department geometry of the system. This optimization framework, to be considered in the context of electron guns the methods of shape optimization to design the cathode of an electron gun. The dynamical equations modeling

290

Crowdsourcing suggestions to programming problems for dynamic  

E-Print Network (OSTI)

). Failing tests thus indicate both missing functionality and incorrect program behavior. We implement CrowdCrowdsourcing suggestions to programming problems for dynamic web development languages Abstract Developers increasingly consult online examples and message boards to find solutions to common programming

Hartmann, Björn

291

Solvent wash solution  

DOE Patents (OSTI)

A process is claimed for removing diluent degradation products from a solvent extraction solution, which has been used to recover uranium and plutonium from spent nuclear fuel. A wash solution and the solvent extraction solution are combined. The wash solution contains (a) water and (b) up to about, and including, 50 vol % of at least one-polar water-miscible organic solvent based on the total volume of the water and the highly-polar organic solvent. The wash solution also preferably contains at least one inorganic salt. The diluent degradation products dissolve in the highly-polar organic solvent and the organic solvent extraction solvent do not dissolve in the highly-polar organic solvent. The highly-polar organic solvent and the extraction solvent are separated.

Neace, J.C.

1984-03-13T23:59:59.000Z

292

Predicting binding free energies in solution  

E-Print Network (OSTI)

Recent predictions of absolute binding free energies of host-guest complexes in aqueous solution using electronic structure theory have been encouraging for some systems, while other systems remain problematic for others. In paper I summarize some of the many factors that could easily contribute 1-3 kcal/mol errors at 298 K: three-body dispersion effects, molecular symmetry, anharmonicity, spurious imaginary frequencies, insufficient conformational sampling, wrong or changing ionization states, errors in the solvation free energy of ions, and explicit solvent (and ion) effects that are not well-represented by continuum models. While the paper is primarily a synthesis of previously published work there are two new results: the adaptation of Legendre transformed free energies to electronic structure theory and a use of water clusters that maximizes error cancellation in binding free energies computed using explicit solvent molecules. While I focus on binding free energies in aqueous solution the approach also a...

Jensen, Jan H

2015-01-01T23:59:59.000Z

293

Electron CoolingElectron Cooling Sergei Nagaitsev  

E-Print Network (OSTI)

Electron CoolingElectron Cooling Sergei Nagaitsev FNAL - AD April 28, 2005 #12;Electron Cooling methods must "get around the theorem" e.g. by pushing phase-space around. #12;Electron Cooling - Nagaitsev 3 TodayToday''s Menus Menu What is cooling? Types of beam cooling Electron cooling Conclusions #12

Fermilab

294

Three-dimensional dust-ion-acoustic rogue waves in a magnetized dusty pair-ion plasma with nonthermal nonextensive electrons and opposite polarity dust grains  

SciTech Connect

Dust-ion-acoustic (DIA) rogue waves are investigated in a three-dimensional magnetized plasma containing nonthermal electrons featuring Tsallis distribution, both positive and negative ions, and immobile dust grains having both positive and negative charges. Via the reductive perturbation method, a (3?+?1)-dimensional nonlinear Schrdinger (NLS) equation is derived to govern the dynamics of the DIA wave packets. The modulation instability of DIA waves described by the (3?+?1)-dimensional NLS equation is investigated. By means of the similarity transformation and symbolic computation, both the first- and second-order rogue wave solutions of the (3?+?1)-dimensional NLS equation are constructed in terms of rational functions. Moreover, the dynamics properties and the effects of plasma parameters on the nonlinear structures of rogue waves are discussed in detail. The results could be useful for understanding the physical mechanism of rogue waves in laboratory experiments where pair-ion plasmas with electrons and dust grains can be found.

Guo, Shimin, E-mail: gsm861@126.com; Mei, Liquan, E-mail: lqmei@mail.xjtu.edu.cn [School of Mathematics and Statistics, Xi'an Jiaotong University, Xi'an 710049 (China)

2014-08-15T23:59:59.000Z

295

Surface Chemical Dynamics  

NLE Websites -- All DOE Office Websites (Extended Search)

Surface Chemical Dynamics Surface Chemical Dynamics The goal of the Surface Chemical Dynamics Program is to elucidate the underlying physical processes that determine the products (selectivity) and yield (efficiency) of chemical transformations relevant to energy-related chemistry on catalytic and nanostructured surfaces. Achieving this end requires understanding the evolution of the reactant-molecule/surface complex as molecules adsorb, bonds dissociate, surface species diffuse, new bonds form and products desorb. The pathways and time scales of these processes are ultimately determined by a multidimensional potential energy surface that is a function of the geometric and electronic structures of the surface and the reactant, product, intermediate and transition-state molecular and atomic species.

296

[Inelastic electron scattering from surfaces]. [Progress report  

SciTech Connect

This program uses ab-initio and multiple scattering to study surface dynamical processes; high-resolution electron-energy loss spectroscopy is used in particular. Off-specular excitation cross sections are much larger if electron energies are in the LEED range (50--300 eV). The analyses have been extended to surfaces of ordered alloys. Phonon eigenvectors and eigenfrequencies were used as inputs to electron-energy-loss multiple scattering cross section calculations. Work on low-energy electron and positron holography is mentioned.

Not Available

1993-10-01T23:59:59.000Z

297

Magnetic Critical Solutions in Holography  

E-Print Network (OSTI)

The AdS/CFT correspondence is a realization of the holographic principle in the context of string theory. It is a map between a quantum field theory and a string theory living in one or more extra dimensions. Holography provides new tools to the study of strongly coupled systems. It has important applications in quantum chromodynamics (QCD) and condensed matter (CM) systems, which are usually complicated and strongly coupled. Quantum critical CM theories have scaling symmetries and can be connected to higher-dimensional scale invariant space-times. The Effective Holographic Theory paradigm may be used to describe the low-energy (IR) holographic dynamics of quantum critical systems at the two-derivative level by the Einstein-Maxwell-Dilaton (EMD) theory. We find the magnetic critical scaling solutions of an EMD theory containing an extra parity-odd term $F\\wedge F$. Previous studies in the absence of magnetic fields have shown the existence of quantum critical lines separated by quantum critical points. We find this is also true in the presence of a magnetic field. The critical solutions are characterized by the triplet of critical exponents ($\\theta,z,\\zeta$), the first two describing the geometry, while the latter describes the charge density.

N. Angelinos

2014-11-03T23:59:59.000Z

298

Characterization, average and electronic structures during chargedischarge cycle in 0.6Li2MnO30.4Li(Co1/3Ni1/3Mn1/3)O2 solid solution of a cathode active material for Li-ion battery  

Science Journals Connector (OSTI)

Abstract The 0.6Li2MnO30.4Li(Co1/3Ni1/3Mn1/3)O2 solid solution was prepared by the co-precipitation method. The average structure analysis based on the Rietveld method using neutron diffraction was carried out. As a result, the charging process eliminated Li from the transition metal layer as well as the lithium layer, and the dominant elimination of Li was suggested to be from the 2b site (S.G.; C2/m). The amount of the cation mixing of Ni at the 2c site in the Li layer tended to increase from the first to fifth cycles. It was suggested that Co moved to the 4g site after discharge, but to the 2b site after charging. On the other hand, the opposite tendency was shown for Mn. In addition, an electronic-structure analysis based on the Maximum Entropy Method was carried out. The covalent linkage increased in 4h-4i and 4h-8j between the first and fifth charge processes. It was also found that most of the Li in the 4h site was not extracted at the fifth cycle compared to the first cycle.

Yasushi Idemoto; Ryosuke Kawai; Naoya Ishida; Naoto Kitamura

2015-01-01T23:59:59.000Z

299

Computational Electronics and Electromagnetics  

SciTech Connect

The Computational Electronics and Electromagnetics thrust area is a focal point for computer modeling activities in electronics and electromagnetics in the Electronics Engineering Department of Lawrence Livermore National Laboratory (LLNL). Traditionally, they have focused their efforts in technical areas of importance to existing and developing LLNL programs, and this continues to form the basis for much of their research. A relatively new and increasingly important emphasis for the thrust area is the formation of partnerships with industry and the application of their simulation technology and expertise to the solution of problems faced by industry. The activities of the thrust area fall into three broad categories: (1) the development of theoretical and computational models of electronic and electromagnetic phenomena, (2) the development of useful and robust software tools based on these models, and (3) the application of these tools to programmatic and industrial problems. In FY-92, they worked on projects in all of the areas outlined above. The object of their work on numerical electromagnetic algorithms continues to be the improvement of time-domain algorithms for electromagnetic simulation on unstructured conforming grids. The thrust area is also investigating various technologies for conforming-grid mesh generation to simplify the application of their advanced field solvers to design problems involving complicated geometries. They are developing a major code suite based on the three-dimensional (3-D), conforming-grid, time-domain code DSI3D. They continue to maintain and distribute the 3-D, finite-difference time-domain (FDTD) code TSAR, which is installed at several dozen university, government, and industry sites.

DeFord, J.F.

1993-03-01T23:59:59.000Z

300

Integrating Security Solutions to Support nanoCMOS Electronics Research  

E-Print Network (OSTI)

Sinnott,R.O. Asenov,A. Bayliss,C. Davenhall,C. Doherty,T. Harbulot,B. Jones,M. Martin,D. Millar,C. Roy,G. Roy,S. Stewart,G. Watt,J. IEEE International Symposium on Parallel and Distributed Processing Systems with Applications, Sydney Australia, December 2008.

Sinnott, R.O.

Note: This page contains sample records for the topic "dynamic electron solutions" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


301

2013 R&D 100 Award: Movie-mode electron microscope captures nanoscale  

ScienceCinema (OSTI)

A new instrument developed by LLNL scientists and engineers, the Movie Mode Dynamic Transmission Electron Microscope (MM-DTEM), captures billionth-of-a-meter-scale images with frame rates more than 100,000 times faster than those of conventional techniques. The work was done in collaboration with a Pleasanton-based company, Integrated Dynamic Electron Solutions (IDES) Inc. Using this revolutionary imaging technique, a range of fundamental and technologically important material and biological processes can be captured in action, in complete billionth-of-a-meter detail, for the first time. The primary application of MM-DTEM is the direct observation of fast processes, including microstructural changes, phase transformations and chemical reactions, that shape real-world performance of nanostructured materials and potentially biological entities. The instrument could prove especially valuable in the direct observation of macromolecular interactions, such as protein-protein binding and host-pathogen interactions. While an earlier version of the technology, Single Shot-DTEM, could capture a single snapshot of a rapid process, MM-DTEM captures a multiframe movie that reveals complex sequences of events in detail. It is the only existing technology that can capture multiple electron microscopy images in the span of a single microsecond.

Lagrange, Thomas; Reed, Bryan

2014-07-21T23:59:59.000Z

302

2013 R&D 100 Award: Movie-mode electron microscope captures nanoscale  

SciTech Connect

A new instrument developed by LLNL scientists and engineers, the Movie Mode Dynamic Transmission Electron Microscope (MM-DTEM), captures billionth-of-a-meter-scale images with frame rates more than 100,000 times faster than those of conventional techniques. The work was done in collaboration with a Pleasanton-based company, Integrated Dynamic Electron Solutions (IDES) Inc. Using this revolutionary imaging technique, a range of fundamental and technologically important material and biological processes can be captured in action, in complete billionth-of-a-meter detail, for the first time. The primary application of MM-DTEM is the direct observation of fast processes, including microstructural changes, phase transformations and chemical reactions, that shape real-world performance of nanostructured materials and potentially biological entities. The instrument could prove especially valuable in the direct observation of macromolecular interactions, such as protein-protein binding and host-pathogen interactions. While an earlier version of the technology, Single Shot-DTEM, could capture a single snapshot of a rapid process, MM-DTEM captures a multiframe movie that reveals complex sequences of events in detail. It is the only existing technology that can capture multiple electron microscopy images in the span of a single microsecond.

Lagrange, Thomas; Reed, Bryan

2014-04-03T23:59:59.000Z

303

Energy Efficiency Fund (Gas) - Home Energy Solutions and Performance  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Gas) - Home Energy Solutions and Gas) - Home Energy Solutions and Performance Programs Energy Efficiency Fund (Gas) - Home Energy Solutions and Performance Programs < Back Eligibility Low-Income Residential Multi-Family Residential Residential Savings Category Home Weatherization Commercial Weatherization Sealing Your Home Other Ventilation Appliances & Electronics Water Heating Program Info State Connecticut Program Type Utility Rebate Program Rebate Amount Varies Provider Customer Service The Energy Efficiency Fund, funded by Connecticut's public benefits charge, provides home energy efficiency rebate programs to customers of The Connecticut Light and Power Company and The United Illuminating Company, Connecticut Natural Gas, Southern Connecticut Gas, and Yankeegas customers. The Home Energy Solutions Program provides weatherization assistance to any

304

APS - Solutions for Business Financing | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

APS - Solutions for Business Financing APS - Solutions for Business Financing APS - Solutions for Business Financing < Back Eligibility Commercial Industrial Institutional Retail Supplier Schools State Government Savings Category Heating & Cooling Commercial Heating & Cooling Cooling Home Weatherization Construction Commercial Weatherization Design & Remodeling Other Appliances & Electronics Commercial Lighting Lighting Manufacturing Program Info Funding Source APS State Arizona Program Type Utility Loan Program Rebate Amount Varies (project costs, less rebate amount) APS and National Bank of Arizona have partnered to offer low-interest financing to all customers qualifying for energy efficiency incentives under the Solutions for Business program. Combined with program rebates, financing can help cover the up-front costs of energy-saving improvements,

305

Exact solitary solution of Schamel equation in plasmas with negative ions  

SciTech Connect

A theoretical investigation is carried out for understanding the properties of the solitary solution in plasmas with negative ions. Schamel equation for a plasma consisting of electron, positive ions and negative ions has been derived by using the reductive perturbation method. The effects of negative ions and the density on the properties of the solitary solution is discussed. We make use of the extended mapping method and auxiliary equation to obtain the solution of Schamel equation. This solution includes the Jacobi elliptic function solutions, hyperbolic function solutions, rational solutions, and periodic wave solutions. Furthermore, we show that the incorporate negative ion effects in the nonlinear propagation of ion acoustic waves that are controlled by trapped electrons and the results of the solitary solution in plasmas with negative ions model are discussed.

El-Kalaawy, O. H. [Mathematics Department, Faculty of Education, Dammam University, P.O. 2375, Dammam 31451 (Saudi Arabia) and Department of Mathematics, Faculty of Science, Beni-Suef University, Beni-Suef 62511 (Egypt)

2011-11-15T23:59:59.000Z

306

Future Climate Engineering Solutions  

E-Print Network (OSTI)

Engineering Associations from around the world are part of the project `Future Climate - Engineering Solu- tions'. Within the project the participating associations have been developing national climate plansFuture Climate Engineering Solutions Joint report 13 engineering participating engeneering

307

Selected Solution 7  

E-Print Network (OSTI)

Selected Solutions. Math 341 Homework 7*. November 4, 2014. 1. (Alternating Series Test.) Take zn = 1/n2. Show that s2n = (z1 ? z2)+(z3 ? z4) + + z2n?1...

2014-11-04T23:59:59.000Z

308

Transmission Electron Microscope and Scanning Electron Microscopes -  

NLE Websites -- All DOE Office Websites (Extended Search)

Facilities > Transmission Electron Facilities > Transmission Electron Microscope and Scanning Electron Microscopes FACILITIES Transmission Electron Microscope and Scanning Electron Microscopes Overview Other Facilities Work with Argonne Contact us For Employees Site Map Help Join us on Facebook Follow us on Twitter NE on Flickr Transmission Electron Microscope and Scanning Electron Microscopes The research activities of the Corrosion and Mechanics of Materials Section are supported by complete metallography/sample preparation rooms equipped with several optical and electron microscopes: a Transmission Electron Microscope and two Scanning Electron Microscopes. Bookmark and Share Transmission electron microscope (TEM) Detail of JEOL 100CXII TEM Figure 1: Detail of JEOL 100CXII TEM. Click on image to view larger image.

309

Power Electronics Symposium 2011 | ornl.gov  

NLE Websites -- All DOE Office Websites (Extended Search)

Power Electronics Symposium 2011 Power Electronics Symposium 2011 Jul 22 2011 12:00 AM - 05:00 AM What can a power electronics research center do for your business? Oak Ridge, TN Oak Ridge National Laboratory CONTACT : Email: David Sims Phone:(865) 241-3808 Add to Calendar SHARE What can a power electronics research center do for your business? Oak Ridge National Laboratory's Power Electronics Symposium Friday, July 22, 7:30 AM - 3:30 PM (EDT) Oak Ridge National Laboratory (ORNL) Conference Center, Oak Ridge, Tennessee AGENDA This symposium is to inform industry and entrepreneurs of the capabilities, expertise, technologies, and opportunities available through ORNL's Power Electronics and Electrical Power Systems Research Center (PEEPSRC) for creation of solutions to existing problems and/or development of new

310

Introductory statistical mechanics for electron storage rings  

SciTech Connect

These lectures introduce the beam dynamics of electron-positron storage rings with particular emphasis on the effects due to synchrotron radiation. They differ from most other introductions in their systematic use of the physical principles and mathematical techniques of the non-equilibrium statistical mechanics of fluctuating dynamical systems. A self-contained exposition of the necessary topics from this field is included. Throughout the development, a Hamiltonian description of the effects of the externally applied fields is maintained in order to preserve the links with other lectures on beam dynamics and to show clearly the extent to which electron dynamics in non-Hamiltonian. The statistical mechanical framework is extended to a discussion of the conceptual foundations of the treatment of collective effects through the Vlasov equation.

Jowett, J.M.

1986-07-01T23:59:59.000Z

311

Radiation-induced electron migration along DNA  

SciTech Connect

Radiation-induced electron migration along DNA is a mechanism by which randomly produced stochastic energy deposition events can lead to nonrandom types of damage along DNA manifested distal to the sites of the initial energy deposition. Electron migration along DNA is significantly influenced by the DNA base sequence and DNA conformation. Migration along 7 base pairs in oligonucleotides containing guanine bases was observed for oligonucleotides irradiated in solution which compares to average migration distances of 6 to 10 bases for Escherichia coli DNA irradiated in solution and 5.5 base pairs for Escherichia coli DNA irradiated in cells. Evidence also suggests that electron migration can occur preferentially in the 5{prime} to 3{prime} direction along DNA. Our continued efforts will provide information regarding the contribution of electron transfer along DNA to formation of locally multiply damaged sites created in DNA by exposure to ionizing radiation.

Fuciarelli, A.F.; Sisk, E.C.; Miller, J.H. [Pacific Northwest Lab., Richland, WA (United States); Zimbrick, J.D. [National Research Council, Washington, DC (United States)

1994-04-01T23:59:59.000Z

312

Analytical investigation of the dynamics behaviors of quantum cascade laser  

Science Journals Connector (OSTI)

Abstract In this paper, we investigate analytically and numerically the transient dynamics of the mid-infrared quantum cascade laser operating in a single mode. The approach is based on using adiabatic elimination in the rate equations model. Analytical solutions are derived for steady-state and time-dependent number of electrons in the various levels, population inversion and number of photons in the cavity. In addition, the equation that allows for the determination of time for steady-state establishment is derived within the premises of our analytical model in the most general case. The results are compared with numerical calculations. The dependence of the buildup time on current injection is also examined and compared with our other existing model.

A. Hamadou

2015-01-01T23:59:59.000Z

313

ELECTRON CLOUD OBSERVATIONS AND CURES IN RHIC.  

SciTech Connect

Since 2081 MIC has experienced electron cloud effects, which have limited the beam intensity. These include dynamic pressure rises - including pressure instabilities, tune shifts: electrons, a reduction of the stability threshold for bunches crossing the transition energy, and possibly slow emittance growth. We summarize the main observations in operation and dedicated experiments, as well as countermeasures including baking, NEG coated warm beam pipes, solenoids, bunch patterns, anti-grazing rings, pre-pumped cold beam pipes, and scrubbing.

FISCHER,W.; BLASKIEWICZ, M.; HUAN, H.; HSEUH, H.C.; PTITSYN, V.; ROSER, T.; THIEBERGER, P.; TRBOJEVIC, D.; WEI, J.; ZHANG, S.Y.; IRISO, U.

2007-03-01T23:59:59.000Z

314

Cosmological solutions of time varying speed of light theories  

E-Print Network (OSTI)

We consider scalar-tensor theory for describing varying speed of light in a spatially flat FRW space-time. We find some exact solutions in the metric and Palatini formalisms. Also we examine the dynamics of this theory by dynamical system method assuming a $\\Lambda$CDM background and we find some exact solutions by considering the character of critical points of the theory in both formalisms. We show that for any attractor the form of non-minimal coupling coefficient is quadratic in terms of the scalar field $\\Psi$. Also we show that only attractors of the de Sitter era satisfy the horizon criteria.

Mahmood Roshan; Maryam Nouri; Fatimah Shojai

2009-01-21T23:59:59.000Z

315

MAP: Multiauctioneer Progressive Auction for Dynamic Spectrum Access  

E-Print Network (OSTI)

to access the licensed spectrum, and dynamic spectrum access (DSA) is one of the fundamental functions of CR solution according to the length of step. Index Terms--Cognitive radio, dynamic spectrum access, auction from scarcity in spectrum resource and inefficiency in spectrum usage. Cognitive radio (CR) or dynamic

Wang, Xinbing

316

Analytical solutions of the Rayleigh equation for empty and gas--filled bubble  

E-Print Network (OSTI)

The Rayleigh equation for bubble dynamics is widely used. However, analytical solutions of this equation have not been obtained previously. Here we find closed--form general solutions of the Rayleigh equation both for an empty and gas--filled spherical bubble. We present an approach allowing us to construct exact solutions of the Rayleigh equation. We show that our solutions are useful for testing numerical algorithms.

Kudryashov, Nikolay A

2014-01-01T23:59:59.000Z

317

PUBLISHED ONLINE: 31 JULY 2011 | DOI: 10.1038/NPHYS2052 Arbitrarily shaped high-coherence electron  

E-Print Network (OSTI)

by the thermal nature of conventional electron sources and by divergence due to repulsive interactions between to dynamically shape the electron source itself and to observe this shape in the propagated electron bunch-atom electron source, and the potential for alleviation of electron-source brightness limitations due to Coulomb

Loss, Daniel

318

Electron Trapping by Molecular Vibration  

NLE Websites -- All DOE Office Websites (Extended Search)

Electron Trapping by Molecular Electron Trapping by Molecular Vibration Electron Trapping by Molecular Vibration Print Wednesday, 27 April 2005 00:00 In photoelectron spectroscopy experiments performed at the ALS, a group of researchers has found that electronic transitions normally thought to be forbidden can in fact be excited in conjunction with certain types of molecular vibrations. Specifically, they found that when the symmetry of a linear triatomic molecule is broken by asymmetric vibrational modes, photoelectrons can become temporarily trapped by the molecule before ultimately escaping, giving rise to a broad feature in the photoelectron spectrum known as a shape resonance. This process represents a novel type of symmetry-breaking phenomenon that has not been observed previously but appears to be widespread. Such coupling between electronic motion and nuclear motion becomes increasingly important as scientists learn more about the geometry and dynamics of novel chemical structures such as those found in nanodevices and transient chemical species, and the results have implications for studies that use photoelectron spectroscopy as a diagnostic tool.

319

Multicore Architecture for Control and Emulation of Power Electronics and Smart Grid Systems  

E-Print Network (OSTI)

of Technology Power Electronics Power electronics is broadly defined as a solid-state energy conversion of power electronic circuits are: electronic (solid-state) switches and energy storage elements on one side and battery. It enables power grid dynamic stabilization. An adequate design, testing, and validation of power

Sanders, Seth

320

Biosystem Dynamics & Design | EMSL  

NLE Websites -- All DOE Office Websites (Extended Search)

Biosystem Dynamics & Design Overview Atmospheric Aerosol Systems Biosystem Dynamics & Design Energy Materials & Processes Terrestrial & Subsurface Ecosystems Biosystem Dynamics &...

Note: This page contains sample records for the topic "dynamic electron solutions" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


321

Optically pulsed electron accelerator  

DOE Patents (OSTI)

An optically pulsed electron accelerator can be used as an injector for a free electron laser and comprises a pulsed light source, such as a laser, for providing discrete incident light pulses. A photoemissive electron source emits electron bursts having the same duration as the incident light pulses when impinged upon by same. The photoemissive electron source is located on an inside wall of a radiofrequency-powered accelerator cell which accelerates the electron burst emitted by the photoemissive electron source.

Fraser, J.S.; Sheffield, R.L.

1985-05-20T23:59:59.000Z

322

Optically pulsed electron accelerator  

DOE Patents (OSTI)

An optically pulsed electron accelerator can be used as an injector for a free electron laser and comprises a pulsed light source, such as a laser, for providing discrete incident light pulses. A photoemissive electron source emits electron bursts having the same duration as the incident light pulses when impinged upon by same. The photoemissive electron source is located on an inside wall of a radio frequency powered accelerator cell which accelerates the electron burst emitted by the photoemissive electron source.

Fraser, John S. (Los Alamos, NM); Sheffield, Richard L. (Los Alamos, NM)

1987-01-01T23:59:59.000Z

323

Functionalized Polymers For Binding To Solutes In Aqueous Solutions  

NLE Websites -- All DOE Office Websites (Extended Search)

Functionalized Polymers For Binding To Solutes In Aqueous Solutions Functionalized Polymers For Binding To Solutes In Aqueous Solutions Functionalized Polymers For Binding To Solutes In Aqueous Solutions A functionalized polymer for binding a dissolved molecule in an aqueous solution is presented. Available for thumbnail of Feynman Center (505) 665-9090 Email Functionalized Polymers For Binding To Solutes In Aqueous Solutions A functionalized polymer for binding a dissolved molecule in an aqueous solution is presented. The polymer has a backbone polymer to which one or more functional groups are covalently linked. The backbone polymer can be such polymers as polyethylenimine, polyvinylamine, polyallylamine, and polypropylamine. These polymers are generally water-soluble, but can be insoluble when cross-linked. The functional group can be for example diol

324

Interference between electronic lighting and other appliances  

SciTech Connect

This paper presents empirical data from the laboratory and the field to provide an overview of electromagnetic interference between high-efficiency electronic lighting and certain other electronic devices, such as power-line carrier systems, security systems, and remote controls for televisions and VCRs. Reported cases involving both electronic lighting emissions and immunity in building power systems are summarized according to basic interference mechanisms. To illustrate the potential complexities of this problem, the paper describes a case where high-efficiency lighting interfered with a hearing aid. The hearing aid case includes a field survey, laboratory investigations, and recommended solutions to the problem.

Schwabe, R.J.; Zelingher, S. [New York Power Authority, New York, NY (United States); Key, T.; Phipps, K. [EPRI Power Electronics Applications Center, Knoxville, TN (United States)

1995-12-31T23:59:59.000Z

325

Theory of Interrelated Electron and Proton Transfer Processes  

Science Journals Connector (OSTI)

A simple theory of elementary act of interrelated reactions of electron and proton transfer is developed. Mechanisms of synchronous and multistage transfer and coherent transitions via a dynamically populated ...

A. M. Kuznetsov; J. Ulstrup

2003-01-01T23:59:59.000Z

326

Born?Oppenheimer Molecular Dynamics of the Hydration of Na+ in a Water Cluster  

Science Journals Connector (OSTI)

Born?Oppenheimer Molecular Dynamics of the Hydration of Na+ in a Water Cluster ... The hydration of Na+ in a water cluster is studied through all-electron Born?Oppenheimer molecular dynamics. ... The method chosen in the present study was all-electron, density functional theory based, Born?Oppenheimer molecular dynamics (BOMD). ...

N. Galamba; B. J. Costa Cabral

2009-11-23T23:59:59.000Z

327

Localized Wave Functions and the Interaction Potential between Electronic Groups  

Science Journals Connector (OSTI)

It is shown that the Schrdinger equation for electronic wave functions can be modified so that its solutions describe a molecule as a collection of interacting atoms or other units. The interaction potential between electrons localized in different units is the weakest one possible that is consistent with the constraint that the corresponding localized wave function yield upon symmetry projection one solution to the Schrdinger equation. The binding energy of the system can be calculated directly.

William H. Adams

1974-05-20T23:59:59.000Z

328

Shear Banding in an F-Actin Solution  

Science Journals Connector (OSTI)

We report herein the first evidence that an F-actin solution shows shear banding, which is characterized by the spontaneous separation of homogeneous shear flow into two macroscopic domains of different definite shear rates. The constant shear stress observed in the F-actin solution is explained by the banded flow with volume fractions that obey the lever rule. Nonhomogenous reversible flows were observed in the F-actin solution with respect to upward and downward changes in the shear rate. This is the first time shear banding has been observed in a simple biomacromolecule. The biological implications and dynamic aspects of shear flow velocity characteristic patterns are discussed.

Itsuki Kunita; Katsuhiko Sato; Yoshimi Tanaka; Yoshinori Takikawa; Hiroshi Orihara; Toshiyuki Nakagaki

2012-12-10T23:59:59.000Z

329

Magnetic Critical Solutions in Holography  

E-Print Network (OSTI)

The AdS/CFT correspondence is a realization of the holographic principle in the context of string theory. It is a map between a quantum field theory and a string theory living in one or more extra dimensions. Holography provides new tools to the study of strongly coupled systems. It has important applications in quantum chromodynamics (QCD) and condensed matter (CM) systems, which are usually complicated and strongly coupled. Quantum critical CM theories have scaling symmetries and can be connected to higher-dimensional scale invariant space-times. The Effective Holographic Theory paradigm may be used to describe the low-energy (IR) holographic dynamics of quantum critical systems at the two-derivative level by the Einstein-Maxwell-Dilaton (EMD) theory. We find the magnetic critical scaling solutions of an EMD theory containing an extra parity-odd term $F\\wedge F$. Previous studies in the absence of magnetic fields have shown the existence of quantum critical lines separated by quantum critical points. We fin...

Angelinos, N

2014-01-01T23:59:59.000Z

330

Perspective: Nonadiabatic dynamics theory  

Science Journals Connector (OSTI)

Nonadiabatic dynamicsnuclear motion evolving on multiple potential energy surfaceshas captivated the interest of chemists for decades. Exciting advances in experimentation and theory have combined to greatly enhance our understanding of the rates and pathways of nonadiabatic chemical transformations. Nevertheless there is a growing urgency for further development of theories that are practical and yet capable of reliable predictions driven by fields such as solar energy interstellar and atmospheric chemistry photochemistry vision single molecule electronics radiation damage and many more. This Perspective examines the most significant theoretical and computational obstacles to achieving this goal and suggests some possible strategies that may prove fruitful.

John C. Tully

2012-01-01T23:59:59.000Z

331

Stability of the electron cyclotron resonance  

E-Print Network (OSTI)

We consider the magnetic AC Stark effect for the quantum dynamics of a single particle in the plane under the influence of an oscillating homogeneous electric and a constant perpendicular magnetic field. We prove that the electron cyclotron resonance is insensitive to impurity potentials.

Joachim Asch; Olivier Bourget; Cdric Meresse

2014-12-30T23:59:59.000Z

332

Energy Efficiency Fund (Electric) - Home Energy Solutions and Performance  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Electric) - Home Energy Solutions and Electric) - Home Energy Solutions and Performance Programs Energy Efficiency Fund (Electric) - Home Energy Solutions and Performance Programs < Back Eligibility Low-Income Residential Multi-Family Residential Residential Savings Category Home Weatherization Commercial Weatherization Sealing Your Home Heating & Cooling Commercial Heating & Cooling Cooling Appliances & Electronics Other Ventilation Heat Pumps Commercial Lighting Lighting Water Heating Windows, Doors, & Skylights Program Info Funding Source Energy Efficiency Fund State Connecticut Program Type Utility Rebate Program Rebate Amount Varies Provider Customer Service The Energy Efficiency Fund, funded by Connecticut's public benefits charge, provides home energy efficiency rebate programs to customers of The

333

El Paso Electric - SCORE and Commercial Solutions | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

- SCORE and Commercial Solutions - SCORE and Commercial Solutions El Paso Electric - SCORE and Commercial Solutions < Back Eligibility Commercial Installer/Contractor Institutional Local Government Schools State Government Savings Category Heating & Cooling Commercial Heating & Cooling Heating Cooling Home Weatherization Construction Commercial Weatherization Design & Remodeling Other Heat Pumps Appliances & Electronics Commercial Lighting Lighting Insulation Program Info State Texas Program Type Utility Rebate Program Rebate Amount SCORE Reduced Peak Electric Demand; $185/kW Provider CLEAResult Consulting, Inc. El Paso Electric offers a targeted incentive program for public institutions, local governments and higher education. The SCORE Program is designed to help municipalities, counties, public

334

NSTAR (Electric) - Business Solutions Program | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

NSTAR (Electric) - Business Solutions Program NSTAR (Electric) - Business Solutions Program NSTAR (Electric) - Business Solutions Program < Back Eligibility Agricultural Commercial Construction Fed. Government Industrial Institutional Local Government Nonprofit Schools State Government Savings Category Heating & Cooling Commercial Heating & Cooling Cooling Manufacturing Other Construction Heat Pumps Appliances & Electronics Commercial Lighting Lighting Maximum Rebate Contact NSTAR Program Info State Massachusetts Program Type Utility Rebate Program Rebate Amount New Construction Custom: Contact NSTAR Municipalities: Contact NSTAR Lighting (Custom): $0.40/watt reduction (Tier 1); $1/watt reduction (Tier 2) Fluorescent Fixtures: $10 - $30 LED Lighting (Downlights): $10 - $30 LED Lighting (Refrigeration): $45

335

Radioluminescence of curium(III) in solutions  

SciTech Connect

The radioluminescence of curium(III) under the action of the intrinsic ..cap alpha..-radiation was studied in aqueous, heavy water, and organic solutions. The luminescence maximum falls at lambda approx. 600 nm. The yield of radioluminescence G is proportional to the concentration (or electronic fraction) of curium, and for a 10/sup -2/ M aqueous solution of Cm(NO/sub 3/)/sub 3/, G approx. 5 x 10/sup -4/ quanta per 100 eV of absorbed energy. In dilute acids the yield of radioluminescence is the same as in neutral solution, but in concentrated acid it is substantially changed. In the presence of ligands (formate, acetate, citrate ions, and others), the yield of the radioluminescence of curium in aqueous solutions increases, which is associated with complex formation, leading to a decrease in the quenching of excited curium by water molecules. The intensification of the radioluminescence of curium in the presence of sodium paratungstate is especially great; it is suggested that in this case a significant role is played by energy transfer from the ligand to curium. H/sub 2/O/sub 2/, NH/sub 2/NH/sub 2/, NH/sub 2/OH, Ce/sup (IV)/, and uranium, neptunium, and plutonium ions in various oxidation states have no great influence on the radioluminescence of curium. Its quenching by NpO/sub 2//sup +/ ions is somewhat greater than by other actinide ions and is associated with the formation of cation-cation complexes of NpO/sub 2//sup 2 +/ with Cm/sup 3 +/. In heavy water and organic solutions, a substantial increase in the radioluminescence yield of curium is observed, which is in good agreement with the data on photoluminescence. The results obtained suggest that the radioluminescence of curium in solutions (in the absence of energy-donor ligands) is excited mainly directly, while the role of energy transfer to curium from the solvent or its radiolysis products is negligible.

Yusov, A.B.; Perminov, V.P.; Krot, N.N.; Kazakov, V.P.

1987-01-01T23:59:59.000Z

336

Glossary Term - Electron Capture  

NLE Websites -- All DOE Office Websites (Extended Search)

Electron Electron Previous Term (Electron) Glossary Main Index Next Term (Electron Volt (eV)) Electron Volt (eV) Electron Capture After electron capture, an atom contains one less proton and one more neutron. Electron capture is one process that unstable atoms can use to become more stable. During electron capture, an electron in an atom's inner shell is drawn into the nucleus where it combines with a proton, forming a neutron and a neutrino. The neutrino is ejected from the atom's nucleus. Since an atom loses a proton during electron capture, it changes from one element to another. For example, after undergoing electron capture, an atom of carbon (with 6 protons) becomes an atom of boron (with 5 protons). Although the numbers of protons and neutrons in an atom's nucleus change

337

Entergy Texas - SCORE, CitySmart, and Commercial Solutions Programs |  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Entergy Texas - SCORE, CitySmart, and Commercial Solutions Programs Entergy Texas - SCORE, CitySmart, and Commercial Solutions Programs Entergy Texas - SCORE, CitySmart, and Commercial Solutions Programs < Back Eligibility Commercial Industrial Institutional Local Government Schools State Government Savings Category Heating & Cooling Commercial Heating & Cooling Cooling Other Home Weatherization Commercial Weatherization Sealing Your Home Ventilation Heat Pumps Appliances & Electronics Commercial Lighting Lighting Insulation Design & Remodeling Program Info State Texas Program Type Utility Rebate Program Rebate Amount Commercial Solutions Program: $175/kW demand reduction + $0.02/kWh saved SCORE/CitySmart Programs: $200/kW Provider Entergy Texas, Inc. The Commercial Solutions Program is designed to help participants identify

338

Flow dynamics and solute transport in unsaturated rock fractures  

E-Print Network (OSTI)

Experiment 2.3, n-dodecane and PCE, were dyed with 0.5 gILfluoroscein dye n-Dodecane(c) PCE(c) (a) 1.002 x 10- 3 1.002seepage of (a) n-dodecane and (b) PCE into the initially dry

Su, G.W.

2011-01-01T23:59:59.000Z

339

Flow dynamics and solute transport in unsaturated rock fractures  

E-Print Network (OSTI)

respectively (CRC Handbook and Chemistry and Physics). Thefrom CRC Handbook of Cherrnstry and PhYSICS (b)measured withwater (CRC Handbook of Chemistry and Physics). Using these

Su, G.W.

2011-01-01T23:59:59.000Z

340

Optimization For Grade Transitions In Polyethylene Solution Polymerization  

E-Print Network (OSTI)

Optimization For Grade Transitions In Polyethylene Solution Polymerization Jun Shi1, Intan Hamdan2 Engineering Carnegie Mellon University 2The Dow Chemical Company #12;Dynamic Optimization Models Grade Transition for LLDPE · Continuous Stirred-Tank Reactor (CSTR) (represents two actual processes) · Assume

Grossmann, Ignacio E.

Note: This page contains sample records for the topic "dynamic electron solutions" from the National Library of EnergyBeta (NLEBeta).
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We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


341

Analysis of saturation phenomena in Cerenkov free-electron lasers with a planar waveguide  

SciTech Connect

In this paper, the operation of the stimulated emission in Cerenkov free-electron laser (CFEL) is studied on the basis of the modulations of electron velocity and density by the electromagnetic (EM) field. The influence of the electron relaxation, due to mutual electrons collisions, on the electron dynamics is taken into account. We investigate the growth characteristics of Cerenkov laser operating in the small-signal and saturation regimes. In the saturation regime, the effect of velocity reduction of the electron beam on the gain dynamics is demonstrated. We also show that our results match with those of other well-known treatments in the small-signal gain limit.

Fares, Hesham; Yamada, Minoru [Division of Electrical Engineering and Computer Science, Kanazawa University, Kakuma-machi, Kanazawa, Ishikawa 920-1192 (Japan)

2011-09-15T23:59:59.000Z

342

Controlling Graphene's Electronic Structure  

NLE Websites -- All DOE Office Websites (Extended Search)

Controlling Graphene's Electronic Structure Print Graphene, because of its unusual electron properties, reduced dimensionality, and scale, has enormous potential for use in...

343

Controlling Graphene's Electronic Structure  

NLE Websites -- All DOE Office Websites (Extended Search)

Controlling Graphene's Electronic Structure Print Wednesday, 25 April 2007 00:00 Graphene, because of its unusual electron properties, reduced dimensionality, and scale, has...

344

Diamondoids Improve Electron Emitters  

NLE Websites -- All DOE Office Websites (Extended Search)

is unique to diamondoid, is believed to enable the development of a new generation of electron emitters with unprecedented properties. In Photoemission Electron Microscopy...

345

Radiative polarization of electrons  

Science Journals Connector (OSTI)

We present a new method of calculating the radiative polarization of electrons in homogeneous magnetic fields, using the modified electron propagation function.

Julian Schwinger and Wu-yang Tsai

1974-03-15T23:59:59.000Z

346

Electron Cloud Effects in Accelerators  

SciTech Connect

Abstract We present a brief summary of various aspects of the electron-cloud effect (ECE) in accelerators. For further details, the reader is encouraged to refer to the proceedings of many prior workshops, either dedicated to EC or with significant EC contents, including the entire ?ECLOUD? series [1?22]. In addition, the proceedings of the various flavors of Particle Accelerator Conferences [23] contain a large number of EC-related publications. The ICFA Beam Dynamics Newsletter series [24] contains one dedicated issue, and several occasional articles, on EC. An extensive reference database is the LHC website on EC [25].

Furman, M.A.

2012-11-30T23:59:59.000Z

347

Environmental influence on electron scattering from a molecule  

Science Journals Connector (OSTI)

Electron scattering amplitudes of formic acid, formic acid dimer and the formate anion were evaluated by ab initio molecular-orbital calculations in vacuo and in aqueous solution. A model of site/environment-dependent atomic scattering factors for electron crystallography is proposed.

Yamashita, H.

2001-08-29T23:59:59.000Z

348

Dynamic characterization of nanofiltration and reverse osmosis membranes  

SciTech Connect

An original method has been proposed to determine the dynamic permeability of membranes. Experiments were run under different operating conditions (various transmembrane pressures, membranes, concentrations, and solutes), and the experimental data were processed using this dynamic permeability model. The results show that permeability defined in this manner reflects the differences in the membrane behavior from pure water to a solution or from one solution to another. With dynamic permeability data, membrane condition can also be evaluated after use without the need to run experiments with pure water.

Lebrun, R.E.; Xu, Y. [Univ. du Quebec, Trois-Rivieres, Quebec (Canada). Dept. du Genie Chimique

1999-06-01T23:59:59.000Z

349

E-Print Network 3.0 - aqueous solution studied Sample Search...  

NLE Websites -- All DOE Office Websites (Extended Search)

Society 2002 Macromolecules 2010, 43, 20022008 Summary: )-graft-poly(ethylene oxide) (PAA-g-PEO) in aqueous solutions shows one fast and one slow relaxation mode in dynamic...

350

E-Print Network 3.0 - aqueous solution based Sample Search Results  

NLE Websites -- All DOE Office Websites (Extended Search)

Society 2002 Macromolecules 2010, 43, 20022008 Summary: )-graft-poly(ethylene oxide) (PAA-g-PEO) in aqueous solutions shows one fast and one slow relaxation mode in dynamic...

351

E-Print Network 3.0 - aqueous solutions studied Sample Search...  

NLE Websites -- All DOE Office Websites (Extended Search)

Society 2002 Macromolecules 2010, 43, 20022008 Summary: )-graft-poly(ethylene oxide) (PAA-g-PEO) in aqueous solutions shows one fast and one slow relaxation mode in dynamic...

352

E-Print Network 3.0 - aqueous solution importance Sample Search...  

NLE Websites -- All DOE Office Websites (Extended Search)

Society 2002 Macromolecules 2010, 43, 20022008 Summary: )-graft-poly(ethylene oxide) (PAA-g-PEO) in aqueous solutions shows one fast and one slow relaxation mode in dynamic...

353

E-Print Network 3.0 - aqueous solution method Sample Search Results  

NLE Websites -- All DOE Office Websites (Extended Search)

Society 2002 Macromolecules 2010, 43, 20022008 Summary: )-graft-poly(ethylene oxide) (PAA-g-PEO) in aqueous solutions shows one fast and one slow relaxation mode in dynamic...

354

Introduction Basic dynamics  

E-Print Network (OSTI)

Introduction Basic dynamics The Gulf Stream The thermohaline circulation Ocean currents: some Ocean currents: some misconceptions and some dynamics #12;Introduction Basic dynamics The Gulf Stream. Geosciences Ocean currents: some misconceptions and some dynamics #12;Introduction Basic dynamics The Gulf

LaCasce, Joseph H.

355

Dynamic Conductance of Carbon Nanotubes  

Science Journals Connector (OSTI)

The dynamic conductance of carbon nanotubes was investigated using the nonequilibrium Green's function formalism within the context of a tight-binding model. Specifically, we have studied the ac response of tubes of different helicities, both with and without defects, and an electronic heterojunction. Because of the induced displacement currents, the dynamic conductance of the nanotubes differs significantly from the dc conductance displaying both capacitive and inductive responses. The important role of photon-assisted transport through nanotubes is revealed and its implications for experiments discussed.

Christopher Roland; Marco Buongiorno Nardelli; Jian Wang; Hong Guo

2000-03-27T23:59:59.000Z

356

PHYSICAL REVIEW B 89, 035120 (2014) Electronic stopping power from first-principles calculations with account for core electron  

E-Print Network (OSTI)

PHYSICAL REVIEW B 89, 035120 (2014) Electronic stopping power from first-principles calculations with account for core electron excitations and projectile ionization Ari Ojanper¨a,1 Arkady V. Krasheninnikov,1 January 2014) We use Ehrenfest dynamics and time-dependent density functional theory to calculate

Krasheninnikov, Arkady V.

357

Bearwall Energy Efficient Solutions  

E-Print Network (OSTI)

CATEE Conference November 20, 2014 ENERGY EFFICIENT SOLUTIONS ESL-KT-14-11-06 CATEE 2014: Clean Air Through Efficiency Conference, Dallas, Texas Nov. 18-20 Brief History of Bearwall Who We Are: ? Manuel Sovero ? Luis Osorio Energy Conservation... Experience: ESL-KT-14-11-06 CATEE 2014: Clean Air Through Efficiency Conference, Dallas, Texas Nov. 18-20 Energy Programs ESL-KT-14-11-06 CATEE 2014: Clean Air Through Efficiency Conference, Dallas, Texas Nov. 18-20 Bearwall Methodology Introduction...

Sovero,M.

2014-01-01T23:59:59.000Z

358

Kinetic simulations and reduced modeling of longitudinal sideband instabilities in non-linear electron plasma waves  

SciTech Connect

Kinetic Vlasov simulations of one-dimensional finite amplitude Electron Plasma Waves are performed in a multi-wavelength long system. A systematic study of the most unstable linear sideband mode, in particular its growth rate ? and quasi- wavenumber ?k, is carried out by scanning the amplitude and wavenumber of the initial wave. Simulation results are successfully compared against numerical and analytical solutions to the reduced model by Kruer et al. [Phys. Rev. Lett. 23, 838 (1969)] for the Trapped Particle Instability (TPI). A model recently suggested by Dodin et al. [Phys. Rev. Lett. 110, 215006 (2013)], which in addition to the TPI accounts for the so-called Negative Mass Instability because of a more detailed representation of the trapped particle dynamics, is also studied and compared with simulations.

Brunner, S., E-mail: stephan.brunner@epfl.ch; Hausammann, L. [Centre de Recherches en Physique des Plasmas, Association Euratom-Confdration Suisse, Ecole Polytechnique Fdrale de Lausanne, CRPP-PPB, CH-1015 Lausanne (Switzerland); Berger, R. L., E-mail: berger5@llnl.gov; Cohen, B. I. [Lawrence Livermore National Laboratory, University of California, P.O. Box 808, Livermore, California 94551 (United States); Valeo, E. J. [Princeton Plasma Physics Laboratory, P.O. Box 451, Princeton, New Jersey 08543-0451 (United States)

2014-10-15T23:59:59.000Z

359

Standing electromagnetic solitons in hot ultra-relativistic electron-positron plasmas  

SciTech Connect

Using a one-dimensional self-consistent fluid model, we investigate standing relativistic bright solitons in hot electron-positron plasmas. The positron dynamics is taken into account. A set of nonlinear coupled differential equations describing the evolution of electromagnetic waves in fully relativistic two-fluid plasma is derived analytically and solved numerically. As a necessary condition for the existence of standing solitons the system should be relativistic. For the case of ultra-relativistic plasma, we investigate non-drifting bright solitary waves. Detailed discussions of the acceptable solutions are presented. New single hump non-trivial symmetric solutions for the scalar potential were found, and single and multi-nodal symmetric and anti-symmetric solutions for the vector potential are presented. It is shown that for a fixed value of the fluid velocity excited modes with more zeros in the profile of the vector potential show a higher magnitude for the scalar potential. An increase in the plasma fluid velocity also increases the magnitude of the scalar potential. Furthermore, the Hamiltonian and the first integral of the system are given.

Heidari, E., E-mail: ehphys75@iaubushehr.ac.ir [Department of Sciences, Bushehr Branch, Islamic Azad University, Bushehr (Iran, Islamic Republic of); Aslaninejad, M. [Plasma Physics Research Centre, Science and Research Branch, Islamic Azad University, P.O. Box 14665-678, Tehran (Iran, Islamic Republic of)] [Plasma Physics Research Centre, Science and Research Branch, Islamic Azad University, P.O. Box 14665-678, Tehran (Iran, Islamic Republic of); Eshraghi, H. [Physics Department, Iran University of Science and Technology (IUST), P.O. Box 1684613114, Tehran (Iran, Islamic Republic of)] [Physics Department, Iran University of Science and Technology (IUST), P.O. Box 1684613114, Tehran (Iran, Islamic Republic of); Rajaee, L. [Department of Physics, Faculty of Science, University of Qom, Qom (Iran, Islamic Republic of)] [Department of Physics, Faculty of Science, University of Qom, Qom (Iran, Islamic Republic of)

2014-03-15T23:59:59.000Z

360

Soy Solutions | Open Energy Information  

Open Energy Info (EERE)

Soy Solutions Place: Milford, Iowa Zip: 51351 Product: Manufacturer and distributor of 100 percent Soy-Based Biodiesel References: Soy Solutions1 This article is a stub. You can...

Note: This page contains sample records for the topic "dynamic electron solutions" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


361

DEVELOPMENT Solutions | Open Energy Information  

Open Energy Info (EERE)

DEVELOPMENT Solutions DEVELOPMENT Solutions Jump to: navigation, search Name DEVELOPMENT Solutions Place Reading, England, United Kingdom Zip RG4 8UJ Sector Efficiency Product DEVELOPMENT Solutions (DS) supports investors to realise projects with sustainable applications, including in the areas of environment, energy efficiency, water resource management and other applications for sustainable development. References DEVELOPMENT Solutions[1] LinkedIn Connections CrunchBase Profile No CrunchBase profile. Create one now! This article is a stub. You can help OpenEI by expanding it. DEVELOPMENT Solutions is a company located in Reading, England, United Kingdom . References ↑ "DEVELOPMENT Solutions" Retrieved from "http://en.openei.org/w/index.php?title=DEVELOPMENT_Solutions&oldid=344207

362

Electromagnetic space-time crystals. III. Dispersion relations for partial solutions  

E-Print Network (OSTI)

Partial solutions of the Dirac equation describing an electron motion in electromagnetic crystals created by plane waves with linear and circular polarizations are treated. It is shown that the electromagnetic crystal formed by circularly polarized waves possesses the spin birefringence.

G. N. Borzdov

2014-10-21T23:59:59.000Z

363

Dynamic response of guyed towers  

E-Print Network (OSTI)

guyed towers. A parametric study was conducted using eigen analysis to determine the effects of consistent mass, geometric stiffness and P-Delta gravity loads. Time domain solutions were obtained by direct integration for motion due to regular Stokes... guyed tower 2 References to guyed tower dynamic analysis 4 Effect of mass formulation on tower natural periods. 5 P-Delta effect on fundamental period. 6 Effect of axial compression on the 1st & 2nd mode. 7 Geometric stiffness effect on natural...

Gillcrist, Mark Christopher

2012-06-07T23:59:59.000Z

364

ELECTRONIC CHARTS INTRODUCTION  

E-Print Network (OSTI)

199 CHAPTER 14 ELECTRONIC CHARTS INTRODUCTION 1400. The Importance of Electronic Charts Since. Electronic charts automate the process of integrating real-time positions with the chart display and allow is expected to take and plot a fix every three minutes. An electronic chart system can do it once per second

New Hampshire, University of

365

Electronics, Electrical Engineering  

E-Print Network (OSTI)

SCHOOL OF Electronics, Electrical Engineering and Computer Science IS IN YOUR HANDS THE FUTURE #12;SCHOOL OF Electronics, Electrical Engineering and Computer Science2 CAREERS IN ELECTRONICS, ELECTRICAL Belfast. Ranked among the top 100 in the world for Electrical and Electronic Engineering (QS World

366

Structure and Electronic Spectra of DNA Mini-hairpins with Gn:Cn Stems  

SciTech Connect

The research described in this product was performed in part in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. The solution structure of a synthetic DNA mini-hairpin possessing a stilbenediether linker and three G:C base pairs has been obtained using 1H NMR spectral data and constrained torsion angle molecular dynamics. Notable features of this structure include a compact hairpin loop having a short stilbene-guanine plane-toplane distance and approximate B-DNA geometry for the three base pairs. Comparison of the electronic spectra of mini-hairpins having one-to-four G:C base pairs and stilbenediether or hexamethyleneglycol linkers reveals the presence of features in the UV and CD spectra of the stilbene-linked hairpins that are not observed for the ethyleneglycol-linked hairpins. Investigation of the electronic structure of a stilbene-linked hairpin having a single G:C base pair by means of time-dependent density functional theory shows that the highest occupied molecular orbital, but not the lowest unoccupied molecular orbital, is delocalized over the stilbene and adjacent guanine. The calculated UV and CD spectra are highly dependent upon hairpin conformation, but reproduce the major features of the experimental spectra. These results illustrate the utility of an integrated experimental and theoretical approach to understanding the complex electronic spectra of ?-stacked chromophores.

Tuma, Jennifer; Tonzani, Stefano; Schatz, George C.; Karaba, Andrew H.; Lewis, Frederick D.

2007-11-15T23:59:59.000Z

367

Atomic-Scale Imaging and Spectroscopy for In Situ Liquid Scanning Transmission Electron Microscopy  

SciTech Connect

Observation of growth, synthesis, dynamics and electrochemical reactions in the liquid state is an important yet largely unstudied aspect of nanotechnology. The only techniques that can potentially provide the insights necessary to advance our understanding of these mechanisms is simultaneous atomic-scale imaging and quantitative chemical analysis (through spectroscopy) under environmental conditions in the transmission electron microscope (TEM). In this study we describe the experimental and technical conditions necessary to obtain electron energy loss (EEL) spectra from a nanoparticle in colloidal suspension using aberration corrected scanning transmission electron microscopy (STEM) combined with the environmental liquid stage. At a fluid path length below 400 nm, atomic resolution images can be obtained and simultaneous compositional analysis can be achieved. We show that EEL spectroscopy can be used to quantify the total fluid path length around the nanoparticle, and demonstrate characteristic core-loss signals from the suspended nanoparticles can be resolved and analyzed to provide information on the local interfacial chemistry with the surrounding environment. The combined approach using aberration corrected STEM and EEL spectra with the in situ fluid stage demonstrates a plenary platform for detailed investigations of solution based catalysis and biological research.

Jungjohann, K. L.; Evans, James E.; Aguiar, Jeff; Arslan, Ilke; Browning, Nigel D.

2012-06-04T23:59:59.000Z

368

Hydrodynamic solutions for a sonoluminescing gas bubble  

Science Journals Connector (OSTI)

Analytic solutions for a sonoluminescing gas bubble have been obtained which provide density pressure and temperature distributions for the gas inside a bubble oscillating under the ultrasonic field. The solutions have revealed that sonoluminescence should occur just prior to the bubble collapse and its duration is less than 300 ps and that increase and subsequent decrease in the bubble wall acceleration induces the quenching of gas followed by the substantial temperature rise up to 100?000 K which can be regarded as a thermal spike. The gas temperature inside the bubble near collapse is determined primarily by the amount of radiation heat loss. Shock formation during the bubble collapse is questionable because gas density as well as pressure at the bubble center are much greater than those at the bubble wall during this stage. It also turns out that the number of electrons ionized the ion species and the kinetic energy of electrons affect the spectrum of light emission crucially. The spectralradiance calculated is in good agreement with the observed data qualitatively which suggests that the origin of sonoluminescences is bremsstrahlung rather than thermal blackbody radiation. [Work supported by Korea Science and Engineering Foundation.

Ho?Young Kwak; Jung?Hee Na

1996-01-01T23:59:59.000Z

369

Dynamics-dependent symmetries in Newtonian mechanics  

E-Print Network (OSTI)

We exhibit two symmetries of one-dimensional Newtonian mechanics whereby a solution is built from the history of another solution via a generally nonlinear and complex potential-dependent transformation of the time. One symmetry intertwines the square roots of the kinetic and potential energies and connects solutions of the same dynamical problem (the potential is an invariant function). The other symmetry connects solutions of different dynamical problems (the potential is a scalar function). The existence of corresponding conserved quantities is examined using Noethers theorem and it is shown that the invariant-potential symmetry is correlated with energy conservation. In the Hamilton-Jacobi picture the invariant-potential transformation provides an example of a field-dependent symmetry in point mechanics. It is shown that this transformation is not a symmetry of the Schroedinger equation.

Peter Holland

2014-09-19T23:59:59.000Z

370

Development of an (e,2e) electron momentum spectroscopy apparatus using an ultrashort pulsed electron gun  

SciTech Connect

An (e,2e) apparatus for electron momentum spectroscopy (EMS) has been developed, which employs an ultrashort-pulsed incident electron beam with a repetition rate of 5 kHz and a pulse duration in the order of a picosecond. Its instrumental design and technical details are reported, involving demonstration of a new method for finding time-zero. Furthermore, EMS data for the neutral Ne atom in the ground state measured by using the pulsed electron beam are presented to illustrate the potential abilities of the apparatus for ultrafast molecular dynamics, such as by combining EMS with the pump-and-probe technique.

Yamazaki, M.; Kasai, Y.; Oishi, K.; Nakazawa, H.; Takahashi, M. [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577 (Japan)

2013-06-15T23:59:59.000Z

371

A High Temperature Superconductor (HTSC) Hot Electron (HE) THz Heterodyne Thermal Sensor (HTS): Computational Analysis of Conversion Gain in  

Science Journals Connector (OSTI)

The solution of the two temperature (electron and phonon) heat transfer equations, for nonequilibrium elctronphonon cooling processes happening between electrons, sensor lattice, and the substrate system, is ...

M. M. Kaila

2002-06-01T23:59:59.000Z

372

Auxiliary ECR heating system for the gas dynamic trap  

SciTech Connect

Physics aspects of a new system for electron cyclotron resonance heating (ECRH) at the magnetic mirror device Gas Dynamic Trap (GDT, Budker Institute, Novosibirsk) are discussed. This system based on two 400 kW/54.5 GHz gyrotrons is aimed at increasing the electron temperature up to the range 250-350 eV for improved energy confinement of hot ions. The key physical issue of the GDT magnetic field topology is that conventional ECRH geometries are not accessible. The proposed solution is based on a peculiar effect of radiation trapping in inhomogeneous magnetized plasma. Under specific conditions, oblique launch of gyrotron radiation results in generation of right-hand-polarized (R) electromagnetic waves propagating with high N{sub Double-Vertical-Line Double-Vertical-Line} in the vicinity of the cyclotron resonance layer, which leads to effective single-pass absorption of the injected microwave power. In the present paper, we investigate numerically an optimized ECRH scenario based on the proposed mechanism of wave propagation and discuss the design of the ECRH system, which is currently under construction at the Budker Institute.

Shalashov, A. G.; Gospodchikov, E. D.; Smolyakova, O. B.; Malygin, V. I. [Institute of Applied Physics of the Russian Academy of Sciences, Ulyanova St. 46, 603950 Nizhny Novgorod (Russian Federation); Bagryansky, P. A. [Budker Institute of Nuclear Physics of the Siberian Branch of the Russian Academy of Sciences, Akademika Lavrentieva Prospect 11, 630090 Novosibirsk (Russian Federation); Thumm, M. [Institut fuer Hochfrequenztechnik und Elektronik, Karlsruhe Institut fuer Technologie, Engesserstrasse 5, 76131 Karlsruhe (Germany)

2012-05-15T23:59:59.000Z

373

Slow Dynamics of Orbital Domains in Manganite  

NLE Websites -- All DOE Office Websites (Extended Search)

Slow Dynamics of Orbital Domains in Manganite Print Slow Dynamics of Orbital Domains in Manganite Print At the ALS, an international team of researchers has used low-energy coherent x rays to extract new knowledge about the correlated motion of groups of self-assembled, outer-lying electrons in the extremely complex electronic system found in manganites. The manganite family of materials has puzzled physicists for years by defying standard models for the motion of electrons in crystals. By controlling the properties of the incident x rays, the researchers were able to map the complexity of a "half-doped" manganite into a far-field speckle diffraction pattern to study the manganite's domain dynamics. Their results suggest the material undergoes a transition characterized by the competition between a pinned orbital domain topology that remains static and mobile domain boundaries that exhibit slow, temporal fluctuations.

374

Slow Dynamics of Orbital Domains in Manganite  

NLE Websites -- All DOE Office Websites (Extended Search)

Slow Dynamics of Orbital Domains in Manganite Print Slow Dynamics of Orbital Domains in Manganite Print At the ALS, an international team of researchers has used low-energy coherent x rays to extract new knowledge about the correlated motion of groups of self-assembled, outer-lying electrons in the extremely complex electronic system found in manganites. The manganite family of materials has puzzled physicists for years by defying standard models for the motion of electrons in crystals. By controlling the properties of the incident x rays, the researchers were able to map the complexity of a "half-doped" manganite into a far-field speckle diffraction pattern to study the manganite's domain dynamics. Their results suggest the material undergoes a transition characterized by the competition between a pinned orbital domain topology that remains static and mobile domain boundaries that exhibit slow, temporal fluctuations.

375

Slow Dynamics of Orbital Domains in Manganite  

NLE Websites -- All DOE Office Websites (Extended Search)

Slow Dynamics of Orbital Domains in Manganite Print Slow Dynamics of Orbital Domains in Manganite Print At the ALS, an international team of researchers has used low-energy coherent x rays to extract new knowledge about the correlated motion of groups of self-assembled, outer-lying electrons in the extremely complex electronic system found in manganites. The manganite family of materials has puzzled physicists for years by defying standard models for the motion of electrons in crystals. By controlling the properties of the incident x rays, the researchers were able to map the complexity of a "half-doped" manganite into a far-field speckle diffraction pattern to study the manganite's domain dynamics. Their results suggest the material undergoes a transition characterized by the competition between a pinned orbital domain topology that remains static and mobile domain boundaries that exhibit slow, temporal fluctuations.

376

Coherence of Electron Wave and Contrast of Electron Image  

Science Journals Connector (OSTI)

......other Symposium of the Society of Japanese Electron Microscopy Coherence of Electron Wave and Contrast of Electron Image Tadatoshi...Measurements, Tohoku University (21) 207 0 Jfc & ft* ffi Coherence of Electron Wave and Contrast of Electron Image Tadatoshi......

Tadatoshi HIBI; Shoichi Takahashi

1964-01-01T23:59:59.000Z

377

ASYMMETRIC ELECTRON DISTRIBUTIONS IN THE SOLAR WIND  

SciTech Connect

A plausible mechanism responsible for producing asymmetric electron velocity distribution functions in the solar wind is investigated by means of one-dimensional electrostatic particle-in-cell (PIC) simulation. A recent paper suggests that the variation in the ion-to-electron temperature ratio influences the nonlinear wave-particle dynamics such that it results in the formation of asymmetric distributions. The present PIC code simulation largely confirms this finding, but quantitative differences between the weak turbulence formalism and the present PIC simulation are also found, suggesting the limitation of the analytical method. The inter-relationship between the asymmetric electron distribution and the ion-to-electron temperature ratio may be a new useful concept for the observation.

Rha, Kicheol; Ryu, Chang-Mo [Department of Physics, Pohang University of Science and Technology, Pohang 790-784 (Korea, Republic of)] [Department of Physics, Pohang University of Science and Technology, Pohang 790-784 (Korea, Republic of); Yoon, Peter H. [Institute for Physical Science and Technology, University of Maryland, College Park, MD 20742 (United States)] [Institute for Physical Science and Technology, University of Maryland, College Park, MD 20742 (United States)

2013-09-20T23:59:59.000Z

378

Electron fishbones: Theory and experimental evidence  

E-Print Network (OSTI)

We discuss the processes underlying the excitation of fishbone-like internal kink instabilities driven by supra-thermal electrons generated experimentally by different means: Electron Cyclotron Resonance Heating (ECRH) and by Lower Hybrid (LH) power injection. The peculiarity and interest of exciting these electron fishbones by ECRH only or by LH only is also analyzed. Not only the mode stability is explained, but also the transition between steady state nonlinear oscillations to bursting (almost regular) pulsations, as observed in FTU, is interpreted in terms of the LH power input. These results are directly relevant to the investigation of trapped alpha particle interactions with low-frequency MHD modes in burning plasmas: in fact, alpha particles in reactor relevant conditions are characterized by small dimensionless orbits, similarly to electrons; the trapped particle bounce averaged dynamics, meanwhile, depends on energy and not mass.

Zonca, F; Cardinali, A; Chen, L; Dong, J -Q; Long, Y -X; Milovanov, A V; Romanelli, F; Smeulders, P; Wang, L; Wang, Z -T; Castaldo, C; Cesario, R; Giovannozzi, E; Marinucci, M; Ridolfini, V Pericoli

2007-01-01T23:59:59.000Z

379

Single Pass Electron Cooling Simulations for MEIC  

SciTech Connect

Cooling of medium energy protons is critical for the proposed Jefferson Lab Medium Energy Ion Collider (MEIC). We present simulations of electron cooling of protons up to 60 GeV. In the beam frame in which the proton and electrons are co-propagating, their motion is non-relativistic. We use a binary collision model which treats the cooling process as the sum of a large number of two-body collisions which are calculated exactly. This model can treat even very close collisions between an electron and ion with high accuracy. We also calculate dynamical friction using a delta-f PIC model. The code VSim (formerly Vorpal) is used to perform the simulations. We compare the friction rates with that obtained by a 3D integral over electron velocities which is used by BETACOOL.

Bell, G. I. [Tech-X Corp.; Pogorelov, I. V. [Tech-X Corp.; Schwartz, B. T. [Tech-X Corp.; Zhang, Yuhong [JLAB; Zhang, He [JLAB

2013-12-01T23:59:59.000Z

380

Rheological Behavior of Xanthan Gum Solution Related to Shear Thinning Fluid Delivery for Subsurface Remediation  

SciTech Connect

Xanthan gum, a biopolymer, forms shear thinning fluids which can be used as delivery media to improve the distribution of remedial amendments injected into heterogeneous subsurface environments. The rheological behavior of the shear thinning solution needs to be known to develop an appropriate design for field injection. In this study, the rheological properties of xanthan gum solutions were obtained under various chemical and environmental conditions relevant to delivery of remedial amendments to groundwater. Higher xanthan concentration raised the absolute solution viscosity and increased the degree of shear thinning. Addition of remedial amendments (e.g., phosphate, sodium lactate, ethyl lactate) caused the dynamic viscosity of xanthan gum to decrease, but the solutions maintained shear-thinning properties. Use of simple salt (e.g. Na+, Ca2+) to increase the solution ionic strength also decreased the dynamic viscosity of xanthan and the degree of shear thinning, although the effect is a function of xanthan gum concentration and diminished as the xanthan gum concentration was increased. At high xanthan concentration, addition of salt to the solution increased dynamic viscosity. In the absence of sediments, xanthan gum solutions maintain their viscosity properties for months. However, xanthan gum solutions were shown to lose dynamic viscosity over a period of days to weeks when contacted with saturated site sediment. Loss of viscosity is attributed to physical and biodegradation processes.

Zhong, Lirong; Oostrom, Martinus; Truex, Michael J.; Vermeul, Vincent R.; Szecsody, James E.

2013-01-15T23:59:59.000Z

Note: This page contains sample records for the topic "dynamic electron solutions" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


381

Influence of solute-solvent coordination on the orientational relaxation of ion assemblies in polar solvents  

Science Journals Connector (OSTI)

We have investigated the rotational dynamics of lithium thiocyanate (LiNCS) dissolved in various polar solvents with time and polarization resolved vibrational spectroscopy. LiNCS forms multiple distinct ionic structures in solution that can be distinguished with the CN stretch vibrational frequency of the different ionic assemblies. By varying the solvent and the LiNCS concentration the number and type of ionic structures present in solution can be controlled. Control of the ionic structure provides control over the volume shape and dipole moment of the solute critical parameters for hydrodynamic and dielectric continuum models of friction. The use of solutes with sizes comparable to or smaller than the solvent molecules also helps amplify the sensitivity of the measurement to the short-ranged solute-solvent interaction. The measured orientational relaxation dynamics show many clear and distinct deviations from simple hydrodynamic behavior. All ionic structures in all solvents exhibit multi-exponential relaxation dynamics that do not scale with the solute volume. For Lewis base solvents such as benzonitrile dimethyl carbonate and ethyl acetate the observed dynamics strongly show the effect of solute-solvent complex formation. For the weak Lewis base solvent nitromethane we see no evidence for solute-solvent complex formation but still see strong deviation from the predictions of simple hydrodynamic theory.

Minbiao Ji; Robert W. Hartsock; Zheng Sung; Kelly J. Gaffney

2012-01-01T23:59:59.000Z

382

Virtual anode as a source of low-frequency oscillations of a high-current electron beam  

Science Journals Connector (OSTI)

We have studied the transport of a relativistic electron beam with supercritical current in a cylindrical drift chamber in the presence of an ion flux. A theoretical analysis of the electron-ion flux dynamics ...

1 P. I. Markov; I. N. Onishchenko; G. V. Sotnikov

2003-12-01T23:59:59.000Z

383

"Dark energy" as conformal dynamics of space  

E-Print Network (OSTI)

The exact solution for dynamic of conform-flat space homogeneous since dynamic equation is given. Conform mode of space metric changing in Global time theory has negative energy density. Swap of energy to this mode from another ones lead to increasing of Universe homogeneity although probability of this swap from local objects is negligibly small. Conform mode is corresponding to "dark energy" in observation astronomy.

D. Burlankov

2006-10-23T23:59:59.000Z

384

Looking for Energy Solutions  

NLE Websites -- All DOE Office Websites (Extended Search)

Governments and Schools: Governments and Schools: Looking for Energy Solutions Turn to an ENERGY STAR ® Service and Product Provider Partner ENERGY STAR Service and Product Providers (SPPs) have the experience and access to the tools needed to implement energy- efficient strategies that are right for you. Following the U.S. Environmental Protection Agency's (EPA) Guidelines for Energy Management, a proven strategy developed from ENERGY STAR partner successes, your organization can gain control of energy expenses and demonstrate environmental leadership. SPPs can help you assess your energy performance and recommend low-cost upgrades, cost-effective investments, and longer-term strategies that make the most sense for you. ENERGY STAR SPPs make it easy for you to care for your constituents, your facilities, and your finances.

385

Ultrafast electron beam imaging of femtosecond laser-induced plasma  

NLE Websites -- All DOE Office Websites (Extended Search)

Ultrafast electron beam imaging of femtosecond laser-induced plasma Ultrafast electron beam imaging of femtosecond laser-induced plasma dynamics Title Ultrafast electron beam imaging of femtosecond laser-induced plasma dynamics Publication Type Journal Article Year of Publication 2010 Authors Li, Junjie, Xuan Wang, Zhaoyang Chen, Richard Clinite, Samuel S. Mao, Pengfei Zhu, Zhengming Sheng, Jie Zhang, and Jianming Cao Journal Journal of Applied Physics Volume 107 Issue 8 Date Published 03/2010 Keywords copper, electron beam applications, high-speed optical techniques, laser ablation, plasma diagnostics, plasma production by laser Abstract Plasma dynamics in the early stage of laser ablation of a copper target are investigated in real time by making ultrafast electron shadow images and electron deflectometry measurements. These complementary techniques provide both a global view and a local perspective of the associated transient electric field and charge expansion dynamics. The results reveal that the charge cloud above the target surface is composed predominantly of thermally ejected electrons and that it is self-expanding, with a fast front-layer speed exceeding 107 m/s. The average electric field strength of the charge cloud induced by a pump fluence of 2.2 J/cm2 is estimated to be ∼ 2.4×105 V/m.

386

Quasi-linear analysis of the extraordinary electron wave destabilized by runaway electrons  

SciTech Connect

Runaway electrons with strongly anisotropic distributions present in post-disruption tokamak plasmas can destabilize the extraordinary electron (EXEL) wave. The present work investigates the dynamics of the quasi-linear evolution of the EXEL instability for a range of different plasma parameters using a model runaway distribution function valid for highly relativistic runaway electron beams produced primarily by the avalanche process. Simulations show a rapid pitch-angle scattering of the runaway electrons in the high energy tail on the 1001000??s time scale. Due to the wave-particle interaction, a modification to the synchrotron radiation spectrum emitted by the runaway electron population is foreseen, exposing a possible experimental detection method for such an interaction.

Pokol, G. I.; Kmr, A.; Budai, A. [Department of Nuclear Techniques, Budapest University of Technology and Economics, Budapest (Hungary); Stahl, A.; Flp, T. [Department of Applied Physics, Chalmers University of Technology, Gteborg (Sweden)

2014-10-15T23:59:59.000Z

387

Various Boussinesq solitary wave solutions  

SciTech Connect

The generalized Boussinesq (gB) equations have been used to model nonlinear wave evolution over variable topography and wave interactions with structures. Like the KdV equation, the gB equations support a solitary wave solution which propagates without changing shape, and this solitary wave is often used as a primary test case for numerical studies of nonlinear waves using either the gB or other model equations. Nine different approximate solutions of the generalized Boussinesq equations are presented with simple closed form expressions for the wave elevation and wave speed. Each approximates the free propagation of a single solitary wave, and eight of these solutions are newly obtained. The author compares these solutions with the well known KdV solution, Rayleigh`s solution, Laitone`s higher order solution, and ``exact`` numerical integration of the gB equations. Existing experimental data on solitary wave shape and wave speed are compared with these models.

Yates, G.T. [Univ. of Hong Kong (Hong Kong). Dept. of Mechanical Engineering

1995-12-31T23:59:59.000Z

388

Symbolic dynamics  

E-Print Network (OSTI)

This chapter presents some of the links between automata theory and symbolic dynamics. The emphasis is on two particular points. The first one is the interplay between some particular classes of automata, such as local automata and results on embeddings of shifts of finite type. The second one is the connection between syntactic semigroups and the classification of sofic shifts up to conjugacy.

Bal, M -P; Eilers, S; Perrin, D

2010-01-01T23:59:59.000Z

389

Vortex Dynamics in NanoScale Materials  

NLE Websites -- All DOE Office Websites (Extended Search)

Into the Vortex: Dynamics in Nanoscale Materials Into the Vortex: Dynamics in Nanoscale Materials Micron and nanosized magnets are of great interest for their potential applications in new electronic devices, such as magnetic random access memories. As the size of magnets is reduced to a 1-micron scale and below, the boundaries (surfaces, perimeters, etc) of the objects begin to profoundly influence both the static and dynamic behavior of the materials. Researchers from Argonne's Materials Science Division (MSD), Center for Nanoscale Materials (CNM), and Advanced Photon Source (APS) have recently examined the dynamics of 3- to 7-micron-diameter NiFe alloy disks with a combination of theoretical calculations and a new time-resolved magnetic imaging technique using synchrotron-based x-ray photoemission electron

390

Nonsequential double ionization below laser-intensity threshold: Anticorrelation of electrons without excitation of parent ion  

SciTech Connect

Two-electron correlated spectra of nonsequential double ionization below laser-intensity threshold are known to exhibit back-to-back scattering of the electrons, i.e., the anticorrelation of the electrons. Currently, the widely accepted interpretation of the anticorrelation is recollision-induced excitation of the ion plus subsequent field ionization of the second electron. We argue that another mechanism, namely, simultaneous electron emission, when the time of return of the rescattered electron is equal to the time of liberation of the bounded electron (i.e., the ion has no time for excitation), can also explain the anticorrelation of the electrons in the deep, below laser-intensity threshold regime. Our conclusion is based on the results of the numerical solution of the time-dependent Schroedinger equation for a model system of two one-dimensional electrons, as well as on an adiabatic analytic model that allows for a closed-form solution.

Bondar, D. I. [University of Waterloo, Waterloo, Ontario N2L 3G1 (Canada); National Research Council of Canada, Ottawa, Ontario K1A 0R6 (Canada); Yudin, G. L. [National Research Council of Canada, Ottawa, Ontario K1A 0R6 (Canada); Universite de Sherbrooke, Sherbrooke, Quebec J1K 2R1 (Canada); Liu, W.-K. [University of Waterloo, Waterloo, Ontario N2L 3G1 (Canada); Ivanov, M. Yu. [Imperial College, London SW7 2BW (United Kingdom); Bandrauk, A. D. [Universite de Sherbrooke, Sherbrooke, Quebec J1K 2R1 (Canada)

2011-01-15T23:59:59.000Z

391

Parallel electric fields in the upward current region of the aurora: Numerical solutions  

E-Print Network (OSTI)

Parallel electric fields in the upward current region of the aurora: Numerical solutions R. E Direct observations of the parallel electric field by the Fast Auroral Snapshot satellite and the Polar of the properties of the observed electric fields, electron distributions, and ion distributions. The solutions

California at Berkeley, University of

392

AEP (Central, North and SWEPCO) - Commercial Solutions Program | Department  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

AEP (Central, North and SWEPCO) - Commercial Solutions Program AEP (Central, North and SWEPCO) - Commercial Solutions Program AEP (Central, North and SWEPCO) - Commercial Solutions Program < Back Eligibility Commercial Industrial Institutional Local Government Nonprofit Schools State Government Tribal Government Savings Category Heating & Cooling Commercial Heating & Cooling Heating Cooling Home Weatherization Construction Commercial Weatherization Design & Remodeling Other Heat Pumps Appliances & Electronics Commercial Lighting Lighting Manufacturing Insulation Windows, Doors, & Skylights Program Info Funding Source AEP Texas (Central, North and SWEPCO) Companies State Texas Program Type Utility Rebate Program Rebate Amount $0.060/kWh and $175/kW in first year savings Provider AEP Texas Central The no-cost Commercial Solutions Program is designed to help businesses,

393

APS - Energy Efficiency Solutions for Business | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

APS - Energy Efficiency Solutions for Business APS - Energy Efficiency Solutions for Business APS - Energy Efficiency Solutions for Business < Back Eligibility Commercial Industrial Institutional Local Government Retail Supplier Schools State Government Savings Category Home Weatherization Commercial Weatherization Heating & Cooling Commercial Heating & Cooling Cooling Construction Design & Remodeling Other Appliances & Electronics Commercial Lighting Lighting Manufacturing Maximum Rebate Small Customers ( Large Customers (>100 kW monthly demand): $500,000 + 50% of incentive over $500K Express Solutions (Refrigeration/Lighting Measures): 90% of project cost Schools: $250,000 (Small); $600,000 (Large) Custom projects: Up to 75% of incremental cost Retro-commissioning: $0.09 per kWh saved up to 75% of incremental cost (up

394

Inexact Restoration method for minimization problems arising in electronic structure calculations  

E-Print Network (OSTI)

Inexact Restoration method for minimization problems arising in electronic structure calculations arising in electronic structure calculations. The solution of the problem is the closed-shell density structure calculation consists of finding the wave functions from which the spatial electronic distribution

Martínez, José Mario

395

Crystal and electronic structures and linear optics of strontium pyroborate  

SciTech Connect

The compound Sr{sub 2}B{sub 2}O{sub 5} has been synthesized by high temperature solution reaction. It crystallizes in the monoclinic space group P2{sub 1}/c with cell dimensions a = 7.719(4), b = 5.341(1), c = 11.873(2) {angstrom}, {beta} = 92.71(2){degree}, V = 488.9(3) {angstrom}{sup 3}, and Z = 4, D{sub calc} = 3.76 g/cm{sup 3}. The structure comprises SrO{sub 7} and SrO{sub 6} polyhedra and B{sub 2}O{sub 5} groups. The electronic structure has been calculated by the INDO/S method for this compound, and the dynamic refractive indices have been obtained in terms of INDO/SCI following combination with the sum-over-states method. The calculated energy gap is 4.26 eV between the upper valence band and lower conduction band, and the calculated average refractive index is 1.791 at a wavelength of 1.065 {micro}m. The charge transfers from O{sup 2{minus}} anion orbitals to Sr{sup 2+} cation orbitals make the significant contributions to linear polarizability in terms of analyses of atomic state density contributing to the valence and conduction bands.

Lin, Q.S.; Cheng, W.D.; Chen, J.T.; Huang, J.S. [Chinese Academy of Sciences, Fuzhou, Fujian (China). Fujian Inst. of Research on the Structure of Matter] [Chinese Academy of Sciences, Fuzhou, Fujian (China). Fujian Inst. of Research on the Structure of Matter

1999-04-01T23:59:59.000Z

396

Microsoft Word - Advanced Solution Verification of CFD Solutions...  

NLE Websites -- All DOE Office Websites (Extended Search)

of a software implementation of a numerical algorithm is evaluated, typically by comparison against an exact solution. For t he p urpose o f comparison, the new verification...

397

Instrument Series: Microscopy Environmental Transmission Electron Microscope  

NLE Websites -- All DOE Office Websites (Extended Search)

Environmental Transmission Environmental Transmission Electron Microscope EMSL's environmental transmission electron microscope (ETEM) provides in situ capabilities that enable atomic-resolution imaging and spectroscopic studies of materials under dynamic operating conditions. In contrast to traditional operation of TEM under high vacuum, EMSL's ETEM uniquely allows imaging within high- temperature and gas environments-with a gas pressure up to 20 Torr. With a spherical aberration corrector for the objective lens, the ETEM captures atomic-level processes as they occur, enabling vital research across a range of scientific fields. Research Applications Chemical science and engineering - providing in situ observation of catalytic processes with atomic-level resolution Materials science and engineering - allowing

398

Analytical model of an isolated single-atom electron source  

Science Journals Connector (OSTI)

Abstract An analytical model of a single-atom electron source is presented, where electrons are created by near-threshold photoionization of an isolated atom. The model considers the classical dynamics of the electron just after the photon absorption, i.e. its motion in the potential of a singly charged ion and a uniform electric field used for acceleration. From closed expressions for the asymptotic transverse electron velocities and trajectories, the effective source temperature and the virtual source size can be calculated. The influence of the acceleration field strength and the ionization laser energy on these properties has been studied. With this model, a single-atom electron source with the optimum electron beam properties can be designed. Furthermore, we show that the model is also applicable to ionization of rubidium atoms, and thus also describes the ultracold electron source, which is based on photoionization of laser-cooled alkali atoms.

W.J. Engelen; E.J.D. Vredenbregt; O.J. Luiten

2014-01-01T23:59:59.000Z

399

Scattering of Magnetic Mirror Trapped Fast Electrons by a Shear Alfven Wave Yuhou Wang,1  

E-Print Network (OSTI)

of energetic electrons by naturally driven chorus and broadband hiss. Pitch-angle scattering can also occur with an intense electron flux, and it took almost 10 years before the natural dynamic equilibrium of the radiation of energetic electrons in the inner radiation belt. DOI: 10.1103/PhysRevLett.108.105002 PACS numbers: 52.40.Db

California at Los Angles, University of

400

Solar Choice Solutions Inc | Open Energy Information  

Open Energy Info (EERE)

Solutions Inc Jump to: navigation, search Name: Solar Choice Solutions Inc. Place: Calabasas, California Zip: 91302 Sector: Solar Product: Solar Choice Solutions Inc. is an...

Note: This page contains sample records for the topic "dynamic electron solutions" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


401

Foil Electron Multiplier  

NLE Websites -- All DOE Office Websites (Extended Search)

Foil Electron Multiplier Foil Electron Multiplier Foil Electron Multiplier An apparatus for electron multiplication by transmission that is designed with at least one foil having a front side for receiving incident particles and a back side for transmitting secondary electrons that are produced from the incident particles transiting through the foil. Available for thumbnail of Feynman Center (505) 665-9090 Email Foil Electron Multiplier An apparatus for electron multiplication by transmission that is designed with at least one foil having a front side for receiving incident particles and a back side for transmitting secondary electrons that are produced from the incident particles transiting through the foil. The foil thickness enables the incident particles to travel through the foil and continue on

402

Fundamentals of Power Electronics  

Science Journals Connector (OSTI)

This chapter gives a description and overview of power electronic technologies including a description of the fundamental systems that are the building blocks of power electronic systems. Technologies that are de...

Edison R. C. da Silva; Malik E. Elbuluk

2013-01-01T23:59:59.000Z

403

On isotropic metric of Schwarzschild solution of Einstein equation  

E-Print Network (OSTI)

The known static isotropic metric of Schwarzschild solution of Einstein equation cannot cover with the range of r<2MG, a new isotropic metric of Schwarzschild solution is obtained. The new isotropic metric has the characters: (1) It is dynamic and periodic. (2) It has infinite singularities of the spacetime. (3) It cannot cover with the range of 0

T. Mei

2006-10-24T23:59:59.000Z

404

Neutrinos in the Electron  

E-Print Network (OSTI)

We will show that one half of the rest mass of the electron is equal to the sum of the rest masses of electron neutrinos and that the other half of the rest mass of the electron is given by the energy in the sum of electric oscillations. With this composition we can explain the rest mass, the electric charge, the spin and the magnetic moment of the electron.

E. L. Koschmieder

2006-09-26T23:59:59.000Z

405

Complex Dynamics of Real Nanosystems: Fundamental Paradigm for Nanoscience and Nanotechnology  

E-Print Network (OSTI)

Structure and dynamics of real nanosystems emerge from the unreduced solution of the underlying interaction problem. It has the property of dynamic multivaluedness giving genuine dynamic randomness and complexity (physics/9806002, physics/0405063). Chaoticity is irreducibly high in nanoscale systems and underlies exponentially high efficiency of their real, complex-dynamic operation (physics/0211071). Applications include real, dynamically chaotic quantum devices, nano-biotechnology, and genetics.

Andrei P. Kirilyuk

2004-12-16T23:59:59.000Z

406

Is Nuclear Energy the Solution?  

E-Print Network (OSTI)

009-0270-y Is Nuclear Energy the Solution? Milton H. Saier &in the last 50 years, nuclear energy subsidies have totaledadministration, the Global Nuclear Energy Partnership (GNEP)

Saier, Milton H.; Trevors, Jack T.

2010-01-01T23:59:59.000Z

407

SBY Solutions | Open Energy Information  

Open Energy Info (EERE)

Jump to: navigation, search Name: SBY Solutions Place: Israel Zip: 42836 Sector: Solar Product: Solar panel installer, mainly focusing on rooftops. References: SBY...

408

Dark Energy and Electrons  

E-Print Network (OSTI)

In the light of recent developments in Dark Energy, we consider the electron in a such a background field and show that at the Compton wavelength the electron is stable, in that the Cassini inward pressure exactly counterbalances the outward Coulomb repulsive pressure thus answering a problem of the earlier electron theory.

Burra G. Sidharth

2008-08-05T23:59:59.000Z

409

Introduction Dynamic Risk Measures  

E-Print Network (OSTI)

Introduction Dynamic Risk Measures Dynamic Risk Measures from BMO martingales Bid-Ask Dynamic Pricing Procedure Conclusion MESURES DE RISQUE DYNAMIQUES DYNAMIC RISK MEASURES Jocelyne Bion-Nadal CNRS Risk Measures Dynamic Risk Measures from BMO martingales Bid-Ask Dynamic Pricing Procedure Conclusion

Bion-Nadal, Jocelyne

410

High conductivity electrolyte solutions and rechargeable cells incorporating such solutions  

DOE Patents (OSTI)

This invention relates generally to electrolyte solvents for use in liquid or rubbery polymer electrolyte solutions as are used, for example, in electrochemical devices. More specifically, this invention relates to sulfonyl/phospho-compound electrolyte solvents and sulfonyl/phospho-compound electrolyte solutions incorporating such solvents.

Angell, Charles Austen (Mesa, AZ); Zhang, Sheng-Shui (Tucson, AZ); Xu, Kang (Tempe, AZ)

1998-01-01T23:59:59.000Z

411

High conductivity electrolyte solutions and rechargeable cells incorporating such solutions  

DOE Patents (OSTI)

This invention relates generally to electrolyte solvents for use in liquid or rubbery polymer electrolyte solutions as are used, for example, in electrochemical devices. More specifically, this invention relates to sulfonyl/phospho-compound electrolyte solvents and sulfonyl/phospho-compound electrolyte solutions incorporating such solvents. 9 figs.

Angell, C.A.; Zhang, S.S.; Xu, K.

1998-10-20T23:59:59.000Z

412

Counting Protein Structures by DFS with Dynamic Decomposition  

E-Print Network (OSTI)

with dynamic decomposition for count� ing the solutions of a binary CSP completely. In particular, we use as Constraint Satisfaction Problem (CSP) [2, 4]. Recently, counting solutions of a CSP and related problems. Here, we present a method that is especially tailored for this case. Applied to the CSP formulation

Will, Sebastian

413

Chaotic dynamics in accelerator physics. Progress report  

SciTech Connect

Substantial progress was in several areas of accelerator dynamics. For developing understanding of longitudinal adiabatic dynamics, and for creating efficiency enhancements of recirculating free-electron lasers, was substantially completed. A computer code for analyzing the critical KAM tori that bound the dynamic aperture in circular machines was developed. Studies of modes that arise due to the interaction of coating beams with a narrow-spectrum impedance have begun. During this research educational and research ties with the accelerator community at large have been strengthened.

Cary, J.R.

1992-11-30T23:59:59.000Z

414

Dynamics of dark energy  

E-Print Network (OSTI)

In this paper we review in detail a number of approaches that have been adopted to try and explain the remarkable observation of our accelerating Universe. In particular we discuss the arguments for and recent progress made towards understanding the nature of dark energy. We review the observational evidence for the current accelerated expansion of the universe and present a number of dark energy models in addition to the conventional cosmological constant, paying particular attention to scalar field models such as quintessence, K-essence, tachyon, phantom and dilatonic models. The importance of cosmological scaling solutions is emphasized when studying the dynamical system of scalar fields including coupled dark energy. We study the evolution of cosmological perturbations allowing us to confront them with the observation of the Cosmic Microwave Background and Large Scale Structure and demonstrate how it is possible in principle to reconstruct the equation of state of dark energy by also using Supernovae Ia observational data. We also discuss in detail the nature of tracking solutions in cosmology, particle physics and braneworld models of dark energy, the nature of possible future singularities, the effect of higher order curvature terms to avoid a Big Rip singularity, and approaches to modifying gravity which leads to a late-time accelerated expansion without recourse to a new form of dark energy.

Edmund J. Copeland; M. Sami; Shinji Tsujikawa

2006-06-16T23:59:59.000Z

415

Multifamily Home Energy Solutions Program | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

You are here You are here Home » Multifamily Home Energy Solutions Program Multifamily Home Energy Solutions Program < Back Eligibility Commercial Multi-Family Residential Savings Category Heating & Cooling Commercial Heating & Cooling Heating Home Weatherization Commercial Weatherization Appliances & Electronics Sealing Your Home Design & Remodeling Windows, Doors, & Skylights Manufacturing Water Heating Program Info Funding Source Public Benefit Fund State Oregon Program Type State Rebate Program Rebate Amount Windows: $2-$3/sq ft, depending on U-value, glazing and type of heating Heat Pumps: $200 - $600, varies by efficiency and original heating type High-Efficiency Gas Boiler: $200 Gas Furnace: $150 Insulation: $0.30-$4 per square foot Exterior Doors: $25

416

ELECTRON CLOUD OBSERVATIONS AND CURES IN RHIC  

SciTech Connect

Since 2001 RHIC has experienced electron cloud effects, which have limited the beam intensity. These include dynamic pressure rises - including pressure instabilities, tune shifts, a reduction of the stability threshold for bunches crossing the transition energy, and possibly incoherent emittance growth. We summarize the main observations in operation and dedicated experiments, as well as countermeasures including baking, NEG coated warm beam pipes, solenoids, bunch patterns, anti-grazing rings, pre-pumped cold beam pipes, scrubbing, and operation with long bunches.

FISCHER,W.; BLASKIEWICZ, M.; HUANG, H.; HSEUH, H.C.; ET AL.

2007-06-25T23:59:59.000Z

417

Sensors, Electronics & Instrumentation  

NLE Websites -- All DOE Office Websites (Extended Search)

Sensors, Electronics & Instrumentation Sensors, Electronics & Instrumentation Sensors, Electronics & Instrumentation Express Licensing Acoustic Concentration Of Particles In Fluid Flow Express Licensing Apparatus And Method For Hydrogen And Oxygen Mass Spectrometry Of The Terrestrial Magnetosphere Express Licensing Apparatus And Method For Temperature Correction And Expanded Count Rate Of Inorganic Scintillation Detectors Express Licensing Composition and method for removing photoresist materials from electronic components Express Licensing Corrosion Test Cell For Bipolar Plates Express Licensing Cylindrical Acoustic Levitator/Concentrator Negotiable Licensing Electrochemical Apparatus with Disposable and Modifiable Parts Express Licensing Foil electron multiplier Express Licensing Hydrogen Sensor

418

Ultracold Electron Source  

Science Journals Connector (OSTI)

We propose a technique for producing electron bunches that has the potential for advancing the state-of-the-art in brightness of pulsed electron sources by orders of magnitude. In addition, this method leads to femtosecond bunch lengths without the use of ultrafast lasers or magnetic compression. The electron source we propose is an ultracold plasma with electron temperatures down to 10K, which can be fashioned from a cloud of laser-cooled atoms by photoionization just above threshold. Here we present results of simulations in a realistic setting, showing that an ultracold plasma has an enormous potential as a bright electron source.

B. J. Claessens; S. B. van der Geer; G. Taban; E. J. D. Vredenbregt; O. J. Luiten

2005-10-12T23:59:59.000Z

419

The dynamics of knotted strings attached to D-branes  

Science Journals Connector (OSTI)

We extend the general solution to the Cauchy problem for the relativistic closed string (Phys. Lett. B 404 (1997) 57) to the case of open strings attached to Dp-branes, including the cases where the initial data has a knotlike topology. We use this extended solution to derive intrinsic dynamical properties of open and closed relativistic strings attached to Dp-branes. We also study the singularity structure and the oscillating periods of this extended solution.

Ricardo Schiappa; Rui Dilo

1998-01-01T23:59:59.000Z

420

Dynamic Positioning Simulator Dynamic Positioning Simulator  

E-Print Network (OSTI)

Simulator 5 / 24 #12;Dynamic Positioning Simulator Dynamic Positioning Why Dynamic Positioning? Advantages Dynamic Positioning: No tugboats needed; Offshore set-up is quick; Power saving; Precision situations more on Ship: Wind Force Fw = 1 2 air V 2 rw CXw (rw )AT 1 2 air V 2 rw CYw (rw )AL Mw = 1 2 air V 2 rw CMw (rw

Vuik, Kees

Note: This page contains sample records for the topic "dynamic electron solutions" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


421

Vehicle Technologies Office: Power Electronics  

NLE Websites -- All DOE Office Websites (Extended Search)

Power Electronics to Power Electronics to someone by E-mail Share Vehicle Technologies Office: Power Electronics on Facebook Tweet about Vehicle Technologies Office: Power Electronics on Twitter Bookmark Vehicle Technologies Office: Power Electronics on Google Bookmark Vehicle Technologies Office: Power Electronics on Delicious Rank Vehicle Technologies Office: Power Electronics on Digg Find More places to share Vehicle Technologies Office: Power Electronics on AddThis.com... Just the Basics Hybrid & Vehicle Systems Energy Storage Advanced Power Electronics & Electrical Machines Power Electronics Electrical Machines Thermal Control & System Integration Advanced Combustion Engines Fuels & Lubricants Materials Technologies Power Electronics The power electronics activity focuses on research and development (R&D)

422

Electron Injector Studies at LBL  

E-Print Network (OSTI)

Measurements at the SLC Electron Source", J.Sodja, M.J.great interested in bright electron sources because they areintensity brighter electron sources that the conventional

Kim, C.H.

2010-01-01T23:59:59.000Z

423

Anthropic versus cosmological solutions to the coincidence problem  

SciTech Connect

In this paper, we investigate possible solutions to the coincidence problem in flat phantom dark-energy models with a constant dark-energy equation of state and quintessence models with a linear scalar field potential. These models are representative of a broader class of cosmological scenarios in which the universe has a finite lifetime. We show that, in the absence of anthropic constraints, including a prior probability for the models inversely proportional to the total lifetime of the universe excludes models very close to the {Lambda} cold dark matter model. This relates a cosmological solution to the coincidence problem with a dynamical dark-energy component having an equation-of-state parameter not too close to -1 at the present time. We further show that anthropic constraints, if they are sufficiently stringent, may solve the coincidence problem without the need for dynamical dark energy.

Barreira, A.; Avelino, P. P. [Centro de Fisica do Porto, Rua do Campo Alegre 687, 4169-007 Porto (Portugal); Departamento de Fisica da Faculdade de Ciencias da Universidade do Porto, Rua do Campo Alegre 687, 4169-007 Porto (Portugal)

2011-05-15T23:59:59.000Z

424

Average dynamics of a finite set of coupled phase oscillators  

SciTech Connect

We study the solutions of a dynamical system describing the average activity of an infinitely large set of driven coupled excitable units. We compared their topological organization with that reconstructed from the numerical integration of finite sets. In this way, we present a strategy to establish the pertinence of approximating the dynamics of finite sets of coupled nonlinear units by the dynamics of its infinitely large surrogate.

Dima, Germn C., E-mail: gdima@df.uba.ar; Mindlin, Gabriel B. [Laboratorio de Sistemas Dinmicos, IFIBA y Departamento de Fsica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Pabelln 1, Ciudad Universitaria, Buenos Aires (Argentina)] [Laboratorio de Sistemas Dinmicos, IFIBA y Departamento de Fsica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Pabelln 1, Ciudad Universitaria, Buenos Aires (Argentina)

2014-06-15T23:59:59.000Z

425

Scaling solution, radion stabilization, and initial condition for brane-world cosmology  

Science Journals Connector (OSTI)

We propose a self-consistent and dynamical scenario which gives rise to well-defined initial conditions for five-dimensional brane-world cosmologies with radion stabilization. At high energies, the five-dimensional effective theory is assumed to have a scale invariance so that it admits an expanding scaling solution as a future attractor. The system automatically approaches the scaling solution and, hence, the initial condition for the subsequent low-energy brane cosmology is set by the scaling solution. At low energies, the scale invariance is broken and a radion stabilization mechanism drives the dynamics of the brane-world system. We present an exact, analytic scaling solution for a class of scale-invariant effective theories of five-dimensional brane-world models which includes the five-dimensional reduction of the Horava-Witten theory, and provide convincing evidence that the scaling solution is a future attractor.

Shinji Mukohyama and Alan Coley

2004-03-25T23:59:59.000Z

426

Kerr-Newman electron as spinning soliton  

E-Print Network (OSTI)

Measurable parameters of the electron indicate that its background should be described by the Kerr-Newman (KN) solution. Spin/mass ratio of the electron is extreme large, and the black hole horizons disappear, opening a topological defect of spacetime -- the Kerr singular ring of the Compton size, which may be interpreted as a closed fundamental string to the low energy string theory. The singular and twosheeted structure of the corresponding Kerr space has to be regularized, and we consider the old problem of regular source of the KN solution. As a development of the earlier Keres-Israel-Hamity-L\\'opez model, we describe the model of smooth and regular source forming a gravitating and relativistically rotating soliton based on the chiral field model and the Higgs mechanism of broken symmetry. The model reveals some new remarkable properties: 1) the soliton forms a relativistically rotating bubble of the Compton radius, which is filled by the oscillating Higgs field in pseudo-vacuum state, 2) boundary of the bubble forms a domain wall which interpolates between the internal flat background and the external exact Kerr-Newman (KN) solution, 3) phase transition is provided by a system of the chiral fields, 4) vector potential of the external the KN solution forms a closed Wilson loop which is quantized, giving rise to quantum spin of the soliton. 5) soliton is bordered by a closed string, which is a part of the general complex stringy structure.

Alexander Burinskii

2014-10-10T23:59:59.000Z

427

Electron microscopy and microanalysis Two transmission electron microscopes  

E-Print Network (OSTI)

Electron microscopy and microanalysis Two transmission electron microscopes (TEM) and three scanning electron micro- scopes (SEM) are operated by the De- partment. Attachments for TEM include energy dispersive X-ray spectrometer (EDS), scanning transmission attachment, serial electron energy loss

428

DSC numerical solution of the Oberbeck-Boussinesq equations  

E-Print Network (OSTI)

Dual Scattering Channel schemes generalise Johns' TLM algorithm and replace the latter in situations where the transmission line picture of wave propagation fails. This is notoriously the case in applications to fluid dynamics, for instance. In this paper, a DSC numerical solution of the Oberbeck-Boussinesq equations is presented, which approximate the Navier-Stokes equations for viscous quasi incompressible flow with moderate variation in temperature.

Steffen Hein

2005-05-04T23:59:59.000Z

429

Scalar-Tensor Gravity Cosmology: Noether symmetries and analytical solutions  

E-Print Network (OSTI)

In this paper, we present a complete Noether Symmetry analysis in the framework of scalar-tensor cosmology. Specifically, we consider a non-minimally coupled scalar field action embedded in the FLRW spacetime and provide a full set of Noether symmetries for related minisuperspaces. The presence of symmetries implies that the dynamical system becomes integrable and then we can compute cosmological analytical solutions for specific functional forms of coupling and potential functions selected by the Noether Approach.

A. Paliathanasis; M. Tsamparlis; S. Basilakos; S. Capozziello

2014-03-03T23:59:59.000Z

430

Low energy electron diffraction using an electronic delay-line detector  

SciTech Connect

A low energy electron diffraction (LEED) instrument incorporating a delay line detector has been constructed to rapidly collect high-quality digital LEED images with low total electron exposures. The system uses a position-sensitive pulse-counting detector with high bias current microchannel plates. This delay-line detector combined with a femtoampere electron gun offers a wide range of flexibility, with electron dosing currents ranging from 0.15 pA to 0.3 fA. Using the highest current setting and collecting 1x10{sup 6} counts per image, individual LEED images can be completed in 4 s with an acquisition rate of 250 kHz and a total electron exposure of 5x10{sup 6} electrons. Under the latter conditions, images can be collected in 20 min with an acquisition rate of 1 kHz with a total electron exposure of 2x10{sup 6} electrons. An angular width of 0.13 deg. at 108 eV is demonstrated, which means that domain sizes as large as 600 A can be resolved, depending on the surface quality of the crystal. The system electronics collect 2048x2048 pixel images with a spatial resolution of about 75 {mu}m. The dynamic range of this system is 32 bits/pixel (limited only by physical memory). The construction of the detector results in a 'plus'-shaped artifact, which requires that, for a given sample orientation, two images be taken at a relative angle of 45 deg. Identical current-voltage curves from an MgO(111)1x1 H terminated sample, taken during several hours of exposure to the low current electron beam, demonstrate minimal electron induced H desorption.

Human, D.; Hu, X.F.; Hirschmugl, C.J.; Ociepa, J.; Hall, G.; Jagutzki, O.; Ullmann-Pfleger, K. [Laboratory for Surface Studies and Department of Physics, University of Wisconsin-Milwaukee, Milwaukee, Wisconsin 53201 (United States); OCI Vacuum Microengineering, London, Ontario N5W 4R3O (Canada); Roentdek GmbH, 65779 Kelkheim (Germany)

2006-02-15T23:59:59.000Z

431

The discontinuous dynamics and non-autonomous chaos  

E-Print Network (OSTI)

A multidimensional chaos is generated by a special initial value problem for the non-autonomous impulsive differential equation. The existence of a chaotic attractor is shown, where density of periodic solutions, sensitivity of solutions and existence of a trajectory dense in the set of all orbits are observed. The chaotic properties of all solutions are discussed. An appropriate example is constructed, where the intermittency phenomenon is indicated. The results of the paper are illustrating that impulsive differential equations may play a special role in the investigation of the complex behavior of dynamical systems, different from that played by continuous dynamics.

M. U. Akhmet

2007-12-31T23:59:59.000Z

432

Effect of Coulomb interaction on multi-electronwave packet dynamics  

SciTech Connect

We have investigated the effect of Coulomb interaction on electron transport in a one-dimensional nanoscale structure using a multi-electron wave packet approach. To study the time evolution, we numerically solve the time-dependent Hartree-Fock equation, finding that the electron wave packet dynamics strongly depends on the Coulomb interaction strength. When the Coulomb interaction is large, each electron wave packet moves separately in the presence of an electric field. With weak Coulomb interaction, however, the electron wave packets overlap, forming and moving as one collective wave packet.

Shiokawa, T. [Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba, 305-8571 (Japan); Takada, Y. [Faculty of Engineering, Tokyo University of Science, Chiyoda, Tokyo, 102-0073, Japan and CREST, Japan Science and Technology Agency (Japan); Konabe, S.; Hatsugai, Y. [Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba, 305-8571, Japan and CREST, Japan Science and Technology Agency (Japan); Muraguchi, M. [Graduate School of Engineering, Tohoku University, Sendai, 980-8579, Japan and CREST, Japan Science and Technology Agency (Japan); Endoh, T. [Graduate School of Engineering, Tohoku University, Sendai, 980-8579, Japan and Center for Spintronics Integrated Systems, Tohoku University, Sendai, 980-8577, Japan and CREST, Japan Science and Technology Agency (Japan); Shiraishi, K. [Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba, 305-8571, Japan and Center for Computational Science, University of Tsukuba, Tsukuba, 305-8577, Japan and CREST, Japan Science and Technology Agency (Japan)

2013-12-04T23:59:59.000Z

433

Laser spectroscopy and dynamics of transient species  

SciTech Connect

The goal of this program is to study the vibrational and electronic spectra and excited state dynamics of a number of transient sulfur and oxygen species. A variety of supersonic jet techniques, as well as high resolution FT-IR and intracavity dye laser spectroscopy, have been applied to these studies.

Clouthier, D.J. [Univ. of Kentucky, Lexington (United States)

1993-12-01T23:59:59.000Z

434

Batch sorption of lead (II) from aqueous solutions using natural kaolinite  

Science Journals Connector (OSTI)

The potential to remove lead (II) ions from aqueous solutions using natural kaolinite was investigated. The effects of several parameters including solution pH, adsorbent dose, ionic strength and solution temperature on adsorption were examined. The sorption data followed the Freundlich, Langmuir and Dubinin-Radushkevich isotherms. The adsorption process was spontaneous and endothermic in nature. Dynamics of the sorption process were studied and the values of rate constant of adsorption were calculated. The kaolinite can be used to remove lead (II) ions from aqueous solutions.

Xue-Song Wang

2011-01-01T23:59:59.000Z

435

Time-resolved diffraction profiles and atomic dynamics in short-pulse laser-induced structural transformations: Molecular dynamics study  

E-Print Network (OSTI)

Time-resolved diffraction profiles and atomic dynamics in short-pulse laser-induced structural dynamics simulations of a 20 nm Au film irradiated with 200 fs laser pulses of different intensity in time-resolved x-ray and electron diffraction experiments. Three processes are found to be responsible

Zhigilei, Leonid V.

436

Diffusion of small solutes in polymer-containing solutions  

Science Journals Connector (OSTI)

...Arsinogallane and Chemical Conversion to Gallium Arsenide ERIN K. BYRNE, LASZLO PARKANYI...yield the rn-V semiconductor gallium arsenide as a finely divided amorphous...the reaction small dusters of gallium arsenide were apparently present in solution...

KL Yam; DK Anderson; RE Buxbaum

1988-07-15T23:59:59.000Z

437

Excitons and Excess Electrons in Nanometer Size Molecular Polyoxotitanate  

NLE Websites -- All DOE Office Websites (Extended Search)

Excitons and Excess Electrons in Nanometer Size Molecular Polyoxotitanate Excitons and Excess Electrons in Nanometer Size Molecular Polyoxotitanate Clusters: Electronic Spectra, Exciton Dynamics, and Surface States Jianhua Bao, Zhihao Yu, Lars Gundlach, Jason B. Benedict, Philip Coppens, Hung Cheng Chen, John R. Miller and Piotr Piotrowiak J. Phys. Chem. B 117, 4422-4430 (2013). [Find paper at ACS Publications] Abstract: The behavior of excitons and excess electrons in the confined space of a molecular polyoxotitanate cluster Ti17(mu4-O)4(mu3-O)16(mu2-O)4(OPri)20 (in short Ti17) was studied using femtosecond pump-probe transient absorption, pulse radiolysis, and fluorescence spectroscopy. Due to pronounced quantum size effects, the electronic spectra of the exciton, Ti17*, and the excess electron carrying radical anion, Ti17(center dot-), are blue-shifted in

438

Drift and ion acoustic wave driven vortices with superthermal electrons  

SciTech Connect

Linear and nonlinear analysis of coupled drift and acoustic mode is presented in an inhomogeneous electron-ion plasma with {kappa}-distributed electrons. A linear dispersion relation is found which shows that the phase speed of both the drift wave and the ion acoustic wave decreases in the presence of superthermal electrons. Several limiting cases are also discussed. In the nonlinear regime, stationary solutions in the form of dipolar and monopolar vortices are obtained. It is shown that the condition for the boundedness of the solution implies that the speed of drift wave driven vortices reduces with increase in superthermality effect. Ignoring density inhomogeniety, it is investigated that the lower and upper limits on the speed of the ion acoustic driven vortices spread with the inclusion of high energy electrons. The importance of results with reference to space plasmas is also pointed out.

Ali Shan, S. [Theoretical Plasma Physics Division, PINSTECH, P.O. Nilore, Islamabad (Pakistan); National Centre For Physics (NCP), Shahdra Valley Road, QAU Campus, 44000 Islamabad (Pakistan); Pakistan Institute of Engineering and Applied Sciences (PIEAS), Islamabad (Pakistan); Haque, Q. [Theoretical Plasma Physics Division, PINSTECH, P.O. Nilore, Islamabad (Pakistan); National Centre For Physics (NCP), Shahdra Valley Road, QAU Campus, 44000 Islamabad (Pakistan)

2012-08-15T23:59:59.000Z

439

Electron emitting filaments for electron discharge devices  

DOE Patents (OSTI)

Electrons are copiously emitted by a device comprising a loop-shaped filament made of lanthanum hexaboride. The filament is directly heated by an electrical current produced along the filament by a power supply connected to the terminal legs of the filament. To produce a filament, a diamond saw or the like is used to cut a slice from a bar made of lanthanum hexaboride. The diamond saw is then used to cut the slice into the shape of a loop which may be generally rectangular, U-shaped, hairpin-shaped, zigzag-shaped, or generally circular. The filaments provide high electron emission at a relatively low operating temperature, such as 1600/sup 0/C. To achieve uniform heating, the filament is formed with a cross section which is tapered between the opposite ends of the filament to compensate for nonuniform current distribution along the filament due to the emission of electrons from the filament.

Leung, K.N.; Pincosy, P.A.; Ehlers, K.W.

1983-06-10T23:59:59.000Z

440

Single-Molecule Dynamics of Lysozyme Processing Distinguishes Linear and Cross-Linked Peptidoglycan Substrates  

E-Print Network (OSTI)

of enzymes in bulk solution prevents ensemble measurements from examining an enzyme's conformational dynamics the static and dynamic disorders inherent in enzyme activities.2,8 Lysozyme is a particularly good model protein for elucidating detailed enzyme dynamics and conformational motions from single

Weiss, Gregory A.

Note: This page contains sample records for the topic "dynamic electron solutions" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


441

Ghost spinors, shadow electrons and the Deutsch Multiverse  

E-Print Network (OSTI)

In this article a new solution of the Einstein-Dirac's equations is presented. There are ghost spinors, i.e. the stress-energy tensor is equal to zero and the current of these fields is non-zero vector. Last the ghost neutrino was found. These ghost spinors and shadow particles of Deutsch are identified. And in result the ghost spinors have a physical interpretation and solutions of the field equations for shadow electrons as another shadow particles are found.

Elena V. Palesheva

2001-08-05T23:59:59.000Z

442

New Solutions Require New Thinking  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Solutions Require Solutions Require New Thinking America's demand for power threatens to overburden an already congested electric system. The U.S. Department of Energy is addressing these energy challenges with innovative solutions to energy generation. Its Renewable and Distributed Systems Integration (RDSI) Program is helping to alleviate congestion, reduce greenhouse gas emissions, and improve reliability by investigating answers such as * Microgrid technologies * Distributed generation * Two-way communication systems * Demand response programs Reducing Peak Demand The RDSI program aims to reduce peak load on distribution feeders 20% by 2015. To help achieve this goal, RDSI is sponsoring demonstration projects nationwide. From California to New York, these projects are

443

K2 Energy Solutions formerly Peak Energy Solutions | Open Energy  

Open Energy Info (EERE)

Energy Solutions formerly Peak Energy Solutions Energy Solutions formerly Peak Energy Solutions Jump to: navigation, search Name K2 Energy Solutions (formerly Peak Energy Solutions) Place Henderson, Nevada Zip 89074 Product Nevada-based designer and fabricator of Lithium Iron Phosphate (LFP) batteries for such applications as EVs, power tools and larger-scale storage. Coordinates 38.83461°, -82.140509° Loading map... {"minzoom":false,"mappingservice":"googlemaps3","type":"ROADMAP","zoom":14,"types":["ROADMAP","SATELLITE","HYBRID","TERRAIN"],"geoservice":"google","maxzoom":false,"width":"600px","height":"350px","centre":false,"title":"","label":"","icon":"","visitedicon":"","lines":[],"polygons":[],"circles":[],"rectangles":[],"copycoords":false,"static":false,"wmsoverlay":"","layers":[],"controls":["pan","zoom","type","scale","streetview"],"zoomstyle":"DEFAULT","typestyle":"DEFAULT","autoinfowindows":false,"kml":[],"gkml":[],"fusiontables":[],"resizable":false,"tilt":0,"kmlrezoom":false,"poi":true,"imageoverlays":[],"markercluster":false,"searchmarkers":"","locations":[{"text":"","title":"","link":null,"lat":38.83461,"lon":-82.140509,"alt":0,"address":"","icon":"","group":"","inlineLabel":"","visitedicon":""}]}

444

Field emission electron source  

DOE Patents (OSTI)

A novel field emitter material, field emission electron source, and commercially feasible fabrication method is described. The inventive field emission electron source produces reliable electron currents of up to 400 mA/cm.sup.2 at 200 volts. The emitter is robust and the current it produces is not sensitive to variability of vacuum or the distance between the emitter tip and the cathode. The novel emitter has a sharp turn-on near 100 volts.

Zettl, Alexander Karlwalter (Kensington, CA); Cohen, Marvin Lou (Berkeley, CA)

2000-01-01T23:59:59.000Z

445

Electronic decoherence time for non-Born-Oppenheimer trajectories  

SciTech Connect

An expression is obtained for the electronic decoherence time of the reduced density electronic matrix in mixed quantum-classical molecular-dynamics simulations. The result is obtained by assuming that decoherence is dominated by the time dependence of the overlap of minimum-uncertainty packets and then maximizing the rate with respect to the parameters of the wave packets. The expression for the decay time involves quantities readily available in non-Born-Oppenheimer molecular-dynamics simulations, and it is shown to have a reasonable form when compared with two other formulas for the decay time that have been previously proposed.

Jasper, Ahren W.; Truhlar, Donald G. [Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431 (United States)

2005-08-08T23:59:59.000Z

446

Entanglement as Measure of Electron-Electron Correlation in Quantum Chemistry Calculations  

E-Print Network (OSTI)

In quantum chemistry calculations, the correlation energy is defined as the difference between the Hartree-Fock limit energy and the exact solution of the nonrelativistic Schrodinger equation. With this definition, the electron correlation effects are not directly observable. In this report, we show that the entanglement can be used as an alternative measure of the electron correlation in quantum chemistry calculations. Entanglement is directly observable and it is one of the most striking properties of quantum mechanics. As an example we calculate the entanglement for He atom and H2 molecule with different basis sets.

Zhen Huang; Sabre Kais

2005-07-15T23:59:59.000Z

447

Annual Northern California Electronic  

E-Print Network (OSTI)

HISTORY EXHIBITORS AWARDS The Electronic Materials Symposium is an inter-disciplinary conferencethat. Joseph Benke, Solyndra Ning Cheng Spansion Evan Thrush, Agilent Seongsin Kim, Stanford Junqiao Wu UC

Wu, Junqiao

448

Environment assisted electron capture  

E-Print Network (OSTI)

Electron capture by {\\it isolated} atoms and ions proceeds by photorecombination. In this process a species captures a free electron by emitting a photon which carries away the excess energy. It is shown here that in the presence of an {\\it environment} a competing non-radiative electron capture process can take place due to long range electron correlation. In this interatomic (intermolecular) process the excess energy is transferred to neighboring species. The asymptotic expression for the cross section of this process is derived. We demonstrate by explicit examples that under realizable conditions the cross section of this interatomic process can clearly dominate that of photorecombination.

Kirill Gokhberg; Lorenz S. Cederbaum

2009-11-09T23:59:59.000Z

449

Electronic Transport in Graphene  

Science Journals Connector (OSTI)

This chapter provides an experimental overview of the electrical transport properties of graphene and graphene nanoribbons, focusing on phenomena related to electronics ... and compares the characteristics of exf...

Jun Zhu

2012-01-01T23:59:59.000Z

450

Electronic Waste Transformation  

Science Journals Connector (OSTI)

Electronic Waste Transformation ... Instead, entrepreneurial individuals and small businesses recover valuable metals such as copper from obsolete equipment through activities such as burning. ...

CHERYL HOGUE

2012-04-01T23:59:59.000Z

451

Nuclear radiation electronic gear  

Science Journals Connector (OSTI)

Nuclear radiation electronic gear ... Examines the line of nuclear radiation instrumentation offered by Nuclear-Chicago Corporation and Victoreen Instrument Company. ... Nuclear / Radiochemistry ...

S. Z. Lewin

1961-01-01T23:59:59.000Z

452

Electronic Cooling in Graphene  

Science Journals Connector (OSTI)

Energy transfer to acoustic phonons is the dominant low-temperature cooling channel of electrons in a crystal. For cold neutral graphene we find that the weak cooling power of its acoustic modes relative to their heat capacity leads to a power-law decay of the electronic temperature when far from equilibrium. For heavily doped graphene a high electronic temperature is shown to initially decrease linearly with time at a rate proportional to n3/2 with n being the electronic density. The temperature at which cooling via optical phonon emission begins to dominate depends on graphene carrier density.

R. Bistritzer and A. H. MacDonald

2009-05-21T23:59:59.000Z

453

Electron Microprobe | EMSL  

NLE Websites -- All DOE Office Websites (Extended Search)

from the Hanford Site provide complementary data to ongoing activities in EMSL's microfluidics and Subsurface Flow and Transport capabilities. User Portal Name: Electron...

454

Organic thin film prehistory: looking towards solution phase aggregation |  

NLE Websites -- All DOE Office Websites (Extended Search)

Organic thin film prehistory: looking towards solution phase aggregation Organic thin film prehistory: looking towards solution phase aggregation Wednesday, November 6, 2013 - 3:00pm SLAC, Redtail Hawk Conference Room 108A Christopher Tassone, SSRL Polymer bulk heterojunction (BHJ) solar cells have attracted significant attention in industry and academia because of their potential for achieving large-area, light-weight, and flexible photovoltaic devices through cost-effective solution deposition techniques. These devices consist of a blend of an absorbing polymer and an electron accepting fullerene, the molecular packing and phase segregation of which heavily influence power conversion efficiency by effecting important processes such as exciton splitting, charge transport, and recombination. Understanding and utilization of molecular interactions to predicatively control the

455

Burbank Water and Power - Energy Solutions Business Rebate Program |  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Energy Solutions Business Rebate Program Energy Solutions Business Rebate Program Burbank Water and Power - Energy Solutions Business Rebate Program < Back Eligibility Commercial Nonprofit Savings Category Heating & Cooling Commercial Heating & Cooling Cooling Other Heat Pumps Heating Appliances & Electronics Commercial Lighting Lighting Manufacturing Home Weatherization Insulation Design & Remodeling Maximum Rebate Each incentive will may not exceed 25% of the installed cost of a measure. The annual customer rebate total may not exceed $100,000. Program Info State California Program Type Utility Rebate Program Rebate Amount Central Air Conditioning: $150 - $500 per ton Heat Pump Retrofits: $175 - $525 per ton Motor Replacements: $35 - $1,260 Thermal Energy Storage: $800 per KW saved Lighting/Chiller Retrofits/Cool Roofing: $0.05 per first year kWh savings

456

Home Energy Solutions for Existing Homes | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Home Energy Solutions for Existing Homes Home Energy Solutions for Existing Homes Home Energy Solutions for Existing Homes < Back Eligibility Residential Savings Category Heating & Cooling Commercial Heating & Cooling Heating Home Weatherization Commercial Weatherization Sealing Your Home Ventilation Manufacturing Heat Pumps Appliances & Electronics Water Heating Windows, Doors, & Skylights Program Info Funding Source Public Benefits Fund State Oregon Program Type State Rebate Program Rebate Amount Air Sealing: $150 Duct Insulation: 50% of cost up to $100 Gas Boiler: $200 Direct Vent Gas Fireplace: $200-$250 Direct Vent Gas Unit Heater: $100 Heat Pumps: $250 - $450, depending on efficiency and previous heating system Heat Pump Test: $150 Heat Pump Advanced Controls: $250 Ductless Heat Pump: $800

457

Kerr-Newman solution as a Dirac particle  

E-Print Network (OSTI)

For m^2 < a^2 + q^2, with m, a, and q respectively the source mass, angular momentum per unit mass, and electric charge, the Kerr--Newman (KN) solution of Einstein's equation reduces to a naked singularity of circular shape, enclosing a disk across which the metric components fail to be smooth. By considering the Hawking and Ellis extended interpretation of the KN spacetime, it is shown first that, similarly to the electron-positron system, this solution presents four inequivalent classical states. Next, it is shown that due to the topological structure of the extended KN spacetime it does admit states with half-integral angular momentum. This last property is corroborated by the fact that, under a rotation of the space coordinates, those inequivalent states transform into themselves only after a 4pi rotation. As a consequence, it becomes possible to naturally represent them in a Lorentz spinor basis. The state vector representing the whole KN solution is then constructed, and its evolution is shown to be governed by the Dirac equation. The KN solution can thus be consistently interpreted as a model for the electron-positron system, in which the concepts of mass, charge and spin become connected with the spacetime geometry. Some phenomenological consequences of the model are explored.

H. I. Arcos; J. G. Pereira

2004-01-19T23:59:59.000Z

458

RELATIVISTIC GLOBAL SOLUTIONS OF NEUTRINO-DOMINATED ACCRETION FLOWS  

SciTech Connect

Neutrino-dominated accretion flows (NDAFs) around rotating stellar-mass black holes are plausible candidates for the central engines of gamma-ray bursts (GRBs). We investigate one-dimensional global solutions of NDAFs, taking into account general relativity in the Kerr metric, neutrino physics, and nucleosynthesis more precisely than previous works. We calculate 16 solutions with different characterized accretion rates and black hole spins to exhibit the radial distributions of various physical properties in NDAFs. We confirm that the electron degeneracy has important effects in NDAFs and we find that the electron fraction is about 0.46 in the outer region for all 16 solutions. From the perspective of the mass fraction, free nucleons, {sup 4}He, and {sup 5}6Fe dominate in the inner, middle, and outer regions, respectively. The influence of neutrino trapping on the annihilation is of importance for the superhigh accretion ( M-dot =10 M{sub sun} s{sup -1}) and most of the 16 solutions have an adequate annihilation luminosity for GRBs.

Xue Li; Liu Tong; Gu Weimin; Lu Jufu, E-mail: tongliu@xmu.edu.cn [Department of Astronomy and Institute of Theoretical Physics and Astrophysics, Xiamen University, Xiamen, Fujian 361005 (China)

2013-08-15T23:59:59.000Z

459

Low Emittance Electron Beam Studies  

SciTech Connect

We have studied the properties of a low emittance electron beam produced by laser pulses incident onto an rf gun photocathode. The experiments were carried out at the A0 photoinjector at Fermilab. Such beam studies are necessary for fixing the design of new Linear Colliders as well as for the development of Free Electron Lasers. An overview of the A0 photoinjector is given in Chapter 1. In Chapter 2 we describe the A0 photoinjector laser system. A stable laser system is imperative for reliable photoinjector operation. After the recent upgrade, we have been able to reach a new level of stability in the pulse-to-pulse fluctuations of the pulse amplitude, and of the temporal and transverse profiles. In Chapter 3 we present a study of transverse emittance versus the shape of the photo-cathode drive-laser pulse. For that purpose a special temporal profile laser shaping device called a pulse-stacker was developed. In Chapter 4 we discuss longitudinal beam dynamics studies using a two macro-particle bunch; this technique is helpful in analyzing pulse compression in the magnetic chicane, as well as velocity bunching effects in the rf-gun and the 9-cell accelerating cavity. In Chapter 5 we introduce a proposal for laser acceleration of electrons. We have developed a laser functioning on the TEM*{sub 01} mode, a mode with a longitudinal electric field component which is suitable for such a process. Using this technique at energies above 40 MeV, one would be able to observe laser-based acceleration.

Tikhoplav, Rodion; /Rochester U.; ,

2006-04-01T23:59:59.000Z

460

Optical diagnosis of electron beam in the ''Pakhra'' synchroton  

SciTech Connect

This article presents results of a study of the dynamics of the electron-beam cross section in the ''Pakhra'' synchrotron with electron acceleration to 670 MeV. The observed dependence of the rms amplitudes of vertical oscillations on time in one acceleration cycle is in good agreement with radiation-damping theory. The time dependence of the horizontal beam dimension is in satisfactory agreement with theory, assuming that the initial dimension is dependent only on synchrotron oscillations.

Bashmakov, Y.A.; Karpov, V.A.; Yarov, A.S.

1985-05-01T23:59:59.000Z

Note: This page contains sample records for the topic "dynamic electron solutions" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


461

Sol Solution | Open Energy Information  

Open Energy Info (EERE)

Solution Solution Jump to: navigation, search Name Sol Solution Place Los Gatos, California Zip 95030 Sector Solar Product Rainbow Concentrator, Current matching multijunction Solar Cell Year founded 2008 Website http://www.Sol-Solution.net Coordinates 37.216351719361°, -121.9694852829° Loading map... {"minzoom":false,"mappingservice":"googlemaps3","type":"ROADMAP","zoom":14,"types":["ROADMAP","SATELLITE","HYBRID","TERRAIN"],"geoservice":"google","maxzoom":false,"width":"600px","height":"350px","centre":false,"title":"","label":"","icon":"","visitedicon":"","lines":[],"polygons":[],"circles":[],"rectangles":[],"copycoords":false,"static":false,"wmsoverlay":"","layers":[],"controls":["pan","zoom","type","scale","streetview"],"zoomstyle":"DEFAULT","typestyle":"DEFAULT","autoinfowindows":false,"kml":[],"gkml":[],"fusiontables":[],"resizable":false,"tilt":0,"kmlrezoom":false,"poi":true,"imageoverlays":[],"markercluster":false,"searchmarkers":"","locations":[{"text":"","title":"","link":null,"lat":37.216351719361,"lon":-121.9694852829,"alt":0,"address":"","icon":"","group":"","inlineLabel":"","visitedicon":""}]}

462

Natural Solutions | Open Energy Information  

Open Energy Info (EERE)

Natural Solutions Natural Solutions Jump to: navigation, search Logo: Natural Solutions Name Natural Solutions Address 3715 Briarwood Dr. Place Cedar Falls, Iowa Zip 50613 Sector Solar Product solar and wind systems Phone number 319-277-7842 Website http://www.naturalsolutions-sk Coordinates 42.5048475°, -92.434048° Loading map... {"minzoom":false,"mappingservice":"googlemaps3","type":"ROADMAP","zoom":14,"types":["ROADMAP","SATELLITE","HYBRID","TERRAIN"],"geoservice":"google","maxzoom":false,"width":"600px","height":"350px","centre":false,"title":"","label":"","icon":"","visitedicon":"","lines":[],"polygons":[],"circles":[],"rectangles":[],"copycoords":false,"static":false,"wmsoverlay":"","layers":[],"controls":["pan","zoom","type","scale","streetview"],"zoomstyle":"DEFAULT","typestyle":"DEFAULT","autoinfowindows":false,"kml":[],"gkml":[],"fusiontables":[],"resizable":false,"tilt":0,"kmlrezoom":false,"poi":true,"imageoverlays":[],"markercluster":false,"searchmarkers":"","locations":[{"text":"","title":"","link":null,"lat":42.5048475,"lon":-92.434048,"alt":0,"address":"","icon":"","group":"","inlineLabel":"","visitedicon":""}]}

463

Heinsight Solutions | Open Energy Information  

Open Energy Info (EERE)

Heinsight Solutions Heinsight Solutions Jump to: navigation, search Logo: Heinsight Solutions Name Heinsight Solutions Address 217 Pine Street Place Fort Collins, Colorado Zip 80524 Sector Efficiency Product Skylight and solar water heating installation Website http://www.heinsightsolutions. Coordinates 40.5891279°, -105.0765009° Loading map... {"minzoom":false,"mappingservice":"googlemaps3","type":"ROADMAP","zoom":14,"types":["ROADMAP","SATELLITE","HYBRID","TERRAIN"],"geoservice":"google","maxzoom":false,"width":"600px","height":"350px","centre":false,"title":"","label":"","icon":"","visitedicon":"","lines":[],"polygons":[],"circles":[],"rectangles":[],"copycoords":false,"static":false,"wmsoverlay":"","layers":[],"controls":["pan","zoom","type","scale","streetview"],"zoomstyle":"DEFAULT","typestyle":"DEFAULT","autoinfowindows":false,"kml":[],"gkml":[],"fusiontables":[],"resizable":false,"tilt":0,"kmlrezoom":false,"poi":true,"imageoverlays":[],"markercluster":false,"searchmarkers":"","locations":[{"text":"","title":"","link":null,"lat":40.5891279,"lon":-105.0765009,"alt":0,"address":"","icon":"","group":"","inlineLabel":"","visitedicon":""}]}

464

Aqueous Solutions and Neutron Scattering  

Science Journals Connector (OSTI)

The application of neutron diffraction techniques to aqueous solutions is described, and a framework involving the use of isotopic substitution is set up to illustrate the scope of the method. Specific applications described include a study of glassy ...

G. W. Neilson; J. E. Enderby

1996-01-25T23:59:59.000Z

465

Is Nuclear Energy the Solution?  

E-Print Network (OSTI)

10.1007/s11270-009-0270-y Is Nuclear Energy the Solution?MHS) attended a lecture on Nuclear Responsibility on theof the Alliance for Nuclear Responsibility. The information

Saier, Milton H.; Trevors, Jack T.

2010-01-01T23:59:59.000Z

466

Electronic Commerce Research, 3: 924 (2003) 2003 Kluwer Academic Publishers. Manufactured in the Netherlands.  

E-Print Network (OSTI)

, helal}@cise.ufl.edu Database Systems R&D Center, University of Florida, Gainesville, FL 32611-6125, USA [Alonso, 1; Grefen, 5; Lazcano, 9; Sheth, 14; Stricker, 15]; however, a good solution to support dynamic

Helal, Abdelsalam

467

Demianski-Newman solution revisited  

E-Print Network (OSTI)

The derivation of the Demianski-Newman solution within the framework of the Ernst complex formalism is considered. We show that this solution naturally arises as a two-soliton specialization of the axisymmetric multi-soliton electrovacuum metric, and we work out the full set of the corresponding metrical fields and electromagnetic potentials. Some limits and physical properties of the DN space-time are briefly discussed.

J. A. Aguilar-Sanchez; A. A. Garcia; V. S. Manko

2001-06-04T23:59:59.000Z

468

The removal of uranium(VI) from aqueous solution by graphene oxidecarbon nanotubes hybrid aerogels  

Science Journals Connector (OSTI)

Novel graphene oxidecarbon nanotubes (GOCNTs) hybrid aerogels were fabricated via a freeze-drying method ... solutions of GO and CNTs. The resulting aerogels were characterized by scanning electron microscopy, ...

Zexing Gu; Yun Wang; Jun Tang; Jijun Yang

2014-11-01T23:59:59.000Z

469

Predissociation dynamics of lithium iodide  

E-Print Network (OSTI)

The predissociation dynamics of lithium iodide (LiI) in the first excited A-state is investigated for molecules in the gas phase and embedded in helium nanodroplets, using femtosecond pump-probe photoionization spectroscopy. In the gas phase, the transient Li+ and LiI+ ion signals feature damped oscillations due to the excitation and decay of a vibrational wave packet. Based on high-level ab initio calculations of the electronic structure of LiI and simulations of the wave packet dynamics, the exponential signal decay is found to result from predissociation predominantly at the lowest avoided X-A potential curve crossing, for which we infer a coupling constant V=650(20) reciprocal cm. The lack of a pump-probe delay dependence for the case of LiI embedded in helium nanodroplets indicates fast droplet-induced relaxation of the vibrational excitation.

Schmidt, H; Stienkemeier, F; Bogomolov, A S; Baklanov, A V; Reich, D M; Skomorowski, W; Koch, C P; Mudrich, M

2015-01-01T23:59:59.000Z

470

Cybersecurity Dynamics Shouhuai Xu  

E-Print Network (OSTI)

Cybersecurity Dynamics Shouhuai Xu Department of Computer Science, University of Texas at San Antonio ABSTRACT We explore the emerging field of Cybersecurity Dynamics, a candidate foundation for the Science of Cybersecurity. Keywords Cybersecurity dynamics, security model, security analysis 1

Xu, Shouhuai

471

Controlling Graphene's Electronic Structure  

NLE Websites -- All DOE Office Websites (Extended Search)

Controlling Graphene's Electronic Structure Print Controlling Graphene's Electronic Structure Print Graphene, because of its unusual electron properties, reduced dimensionality, and scale, has enormous potential for use in ultrafast electronic transistors. It exhibits high conductivity and an anomalous quantum Hall effect (a phenomenon exhibited by certain semiconductor devices at low temperatures and high magnetic fields). Among its novel properties, graphene's electrical charge carriers (electrons and holes) move through a solid with effectively zero mass and constant velocity, like photons. Graphene's intrinsically low scattering rate from defects implies the possibility of a new kind of electronics based on the manipulation of electrons as waves rather than particles. The primary technical difficulty has been controlling the transport of electrical charge carriers through the sheet. This area of research is known as bandgap engineering. While bandgap engineering is the basis of semiconductor technology, it is only now being applied to graphene. Using angle-resolved photoemission spectroscopy (ARPES) at ALS Beamline 7.0.1, a team of scientists from the ALS and Germany characterized the electronic band structure and successfully controlled the gap between valence and conduction bands in a bilayer of graphene thin films deposited on a substrate of silicon carbide. This was done by doping one sheet with adsorbed potassium atoms, creating an asymmetry between the two layers.

472

Electronic Mail Analysis Capability  

Directives, Delegations, and Requirements

Establishes the pilot program to test the Department of Energy (DOE) Electronic Mail Analysis Capability (EMAC), which will be used to monitor and analyze outgoing and incoming electronic mail (e-mail) from the National Nuclear Security Administration (NNSA) and DOE laboratories that are engaged in nuclear weapons design or work involving special nuclear material. No cancellation.

2001-01-08T23:59:59.000Z

473

Chemical structure and dynamics: Annual report 1993  

SciTech Connect

The Chemical Structure and Dynamics program responds to the need for a fundamental, molecular-level understanding of chemistry at the wide variety of environmentally-important interfaces. The research program is built around the established relationship between structure, thermodynamics, and kinetics. This research effort continues to evolve into a program of rigorous studies of fundamental molecular processes in model systems (e.g., well-characterized surfaces, single-component solutions, clusters, and biological molecules), and studies of complex systems found in the environment. Experimental studies of molecular and supramolecular structures and thermodynamics are key to understanding the nature of matter, and lead to direct comparison with computational results. Kinetic and mechanistic measurements, combined with real-time dynamics measurements of atomic and molecular motions during chemical reactions, provide for a molecular-level description of chemical reactions. The anticipated results of this work are the achievement of a quantitative understanding of chemical processes at complex interfaces, the development of new techniques for the detection and measurement of species at such interfaces, and the interpretation and extrapolation of the observations in terms of models of interfacial chemistry. The Chemical Structure and Dynamics research program includes five areas described in detail in this report: Rea