Sample records for greatest density approximately

  1. Nature's Greatest Puzzles

    SciTech Connect (OSTI)

    Quigg, Chris; /Fermilab

    2005-02-01T23:59:59.000Z

    It is a pleasure to be part of the SLAC Summer Institute again, not simply because it is one of the great traditions in our field, but because this is a moment of great promise for particle physics. I look forward to exploring many opportunities with you over the course of our two weeks together. My first task in talking about Nature's Greatest Puzzles, the title of this year's Summer Institute, is to deconstruct the premise a little bit.

  2. Retrocommissioning's Greatest Hits

    E-Print Network [OSTI]

    Haasl, T.; Potter, A.; Irvine, L.

    2001-01-01T23:59:59.000Z

    RETROCOMMISSIONING?S GREATEST HITS Tudi Haasl Associate Director PECI Portland, Oregon Amanda Potter Project Manager PECI Portland, Oregon Linda Irvine Program Assistant PECI Portland, Oregon Larry Luskay Project Engineer PECI Portland, Oregon.... The paper draws on three utility funded studies and one government funded study performed by Portland Energy Conservation, Inc. (PECI) over the last six years. The intention for these studies is to demonstrate the enormous potential of cost effective energy...

  3. Relativistic Coulomb excitation within Time Dependent Superfluid Local Density Approximation

    E-Print Network [OSTI]

    I. Stetcu; C. Bertulani; A. Bulgac; P. Magierski; K. J. Roche

    2015-01-13T23:59:59.000Z

    Within the framework of the unrestricted time-dependent density functional theory, we present for the first time an analysis of the relativistic Coulomb excitation of the heavy deformed open shell nucleus $^{238}$U. The approach is based on Superfluid Local Density Approximation (SLDA) formulated on a spatial lattice that can take into account coupling to the continuum, enabling self-consistent studies of superfluid dynamics of any nuclear shape. We have computed the energy deposited in the target nucleus as a function of the impact parameter, finding it to be significantly larger than the estimate using the Goldhaber-Teller model. The isovector giant dipole resonance, the dipole pygmy resonance and giant quadrupole modes were excited during the process. The one body dissipation of collective dipole modes is shown to lead a damping width $\\Gamma_\\downarrow \\approx 0.4$ MeV and the number of pre-equilibrium neutrons emitted has been quantified.

  4. Error Analysis of Free Probability Approximations to the Density of States of Disordered Systems

    E-Print Network [OSTI]

    Chen, Jiahao

    Theoretical studies of localization, anomalous diffusion and ergodicity breaking require solving the electronic structure of disordered systems. We use free probability to approximate the ensemble-averaged density of states ...

  5. The low-energy nuclear density of states and the saddle point approximation

    E-Print Network [OSTI]

    Sanjay K. Ghosh; Byron K. Jennings

    2001-07-30T23:59:59.000Z

    The nuclear density of states plays an important role in nuclear reactions. At high energies, above a few MeV, the nuclear density of states is well described by a formula that depends on the smooth single particle density of states at the Fermi surface, the nuclear shell correction and the pairing energy. In this paper we present an analysis of the low energy behaviour of the nuclear density of states using the saddle point approximation and extensions to it. Furthermore, we prescribe a simple parabolic form for excitation energy, in the low energy limit, which may facilitate an easy computation of level densities.

  6. Modeling of free electronic state density in hydrogenic plasmas based on nearest neighbor approximation

    SciTech Connect (OSTI)

    Nishikawa, Takeshi, E-mail: nishikawa.takeshi@okayama-u.ac.jp [Graduate School of Natural Science and Technology, Okayama University, Okayama 700-8530 (Japan)

    2014-07-15T23:59:59.000Z

    Most conventional atomic models in a plasma do not treat the effect of the plasma on the free-electron state density. Using a nearest neighbor approximation, the state densities in hydrogenic plasmas for both bound and free electrons were evaluated and the effect of the plasma on the atomic model (especially for the state density of the free electron) was studied. The model evaluates the electron-state densities using the potential distribution formed by the superposition of the Coulomb potentials of two ions. The potential from one ion perturbs the electronic state density on the other. Using this new model, one can evaluate the free-state density without making any ad-hoc assumptions. The resulting contours of the average ionization degree, given as a function of the plasma temperature and density, are shifted slightly to lower temperatures because of the effect of the increasing free-state density.

  7. Quasi-local-density approximation for a van der Waals energy functional

    E-Print Network [OSTI]

    John F. Dobson

    2003-11-17T23:59:59.000Z

    We discuss a possible form for a theory akin to local density functional theory, but able to produce van der Waals energies in a natural fashion. The usual Local Density Approximation (LDA) for the exchange and correlation energy $E_{xc}$ of an inhomogeneous electronic system can be derived by making a quasilocal approximation for the {\\it interacting} density-density response function $\\chi (\\vec{r},\\vec{r} ^{\\prime},\\omega)$, then using the fluctuation-dissipation theorem and a Feynman coupling-constant integration to generate $E_{xc}$. The first new idea proposed here is to use the same approach except that one makes a quasilocal approximation for the {\\it bare} response $\\chi ^{0}$, rather than for $\\chi $. The interacting response is then obtained by solving a nonlocal screening integral equation in real space. If the nonlocal screening is done at the time-dependent Hartree level, then the resulting energy is an approximation to the full inhomogeneous RPA energy: we show here that the inhomogeneous RPA correlation energy contains a van der Waals term for the case of widely-separated neutral subsystems. The second new idea is to use a particularly simple way of introducing LDA-like local field corrrections into the screening equations, giving a theory which should remain reasonable for all separations of a pair of subsystems, encompassing both the van der Waals limit much as in RPA and the bonding limit much as in LDA theory.

  8. Relativistic equation of state at subnuclear densities in the Thomas-Fermi approximation

    SciTech Connect (OSTI)

    Zhang, Z. W.; Shen, H., E-mail: shennankai@gmail.com [School of Physics, Nankai University, Tianjin 300071 (China)

    2014-06-20T23:59:59.000Z

    We study the non-uniform nuclear matter using the self-consistent Thomas-Fermi approximation with a relativistic mean-field model. The non-uniform matter is assumed to be composed of a lattice of heavy nuclei surrounded by dripped nucleons. At each temperature T, proton fraction Y{sub p} , and baryon mass density ? {sub B}, we determine the thermodynamically favored state by minimizing the free energy with respect to the radius of the Wigner-Seitz cell, while the nucleon distribution in the cell can be determined self-consistently in the Thomas-Fermi approximation. A detailed comparison is made between the present results and previous calculations in the Thomas-Fermi approximation with a parameterized nucleon distribution that has been adopted in the widely used Shen equation of state.

  9. Thermally-assisted-occupation density functional theory with generalized-gradient approximations

    SciTech Connect (OSTI)

    Chai, Jeng-Da, E-mail: jdchai@phys.ntu.edu.tw [Department of Physics, Center for Theoretical Sciences, and Center for Quantum Science and Engineering, National Taiwan University, Taipei 10617, Taiwan (China)] [Department of Physics, Center for Theoretical Sciences, and Center for Quantum Science and Engineering, National Taiwan University, Taipei 10617, Taiwan (China)

    2014-05-14T23:59:59.000Z

    We extend the recently proposed thermally-assisted-occupation density functional theory (TAO-DFT) [J.-D. Chai, J. Chem. Phys. 136, 154104 (2012)] to generalized-gradient approximation (GGA) exchange-correlation density functionals. Relative to our previous TAO-LDA (i.e., the local density approximation to TAO-DFT), the resulting TAO-GGAs are significantly superior for a wide range of applications, such as thermochemistry, kinetics, and reaction energies. For noncovalent interactions, TAO-GGAs with empirical dispersion corrections are shown to yield excellent performance. Due to their computational efficiency for systems with strong static correlation effects, TAO-LDA and TAO-GGAs are applied to study the electronic properties (e.g., the singlet-triplet energy gaps, vertical ionization potentials, vertical electron affinities, fundamental gaps, and symmetrized von Neumann entropy) of acenes with different number of linearly fused benzene rings (up to 100), which is very challenging for conventional electronic structure methods. The ground states of acenes are shown to be singlets for all the chain lengths studied here. With the increase of acene length, the singlet-triplet energy gaps, vertical ionization potentials, and fundamental gaps decrease monotonically, while the vertical electron affinities and symmetrized von Neumann entropy (i.e., a measure of polyradical character) increase monotonically.

  10. Analytical Energy Gradients in Range-Separated Hybrid Density Functional Theory with Random Phase Approximation

    E-Print Network [OSTI]

    Mussard, Bastien; Ángyán, János G

    2015-01-01T23:59:59.000Z

    Analytical forces have been derived in the Lagrangian framework for several random phase approximation (RPA) correlated total energy methods based on the range separated hybrid (RSH) approach, which combines a short-range density functional approximation for the short-range exchange-correlation energy with a Hartree-Fock-type long-range exchange and RPA long-range correlation. The RPA correlation energy has been expressed as a ring coupled cluster doubles (rCCD) theory. The resulting analytical gradients have been implemented and tested for geometry optimization of simple molecules and intermolecular charge transfer complexes, where intermolecular interactions are expected to have a non-negligible effect even on geometrical parameters of the monomers.

  11. Uniform electron gases. II. The generalized local density approximation in one dimension

    SciTech Connect (OSTI)

    Loos, Pierre-François, E-mail: pf.loos@anu.edu.au; Ball, Caleb J.; Gill, Peter M. W., E-mail: peter.gill@anu.edu.au [Research School of Chemistry, Australian National University, Canberra ACT 0200 (Australia)] [Research School of Chemistry, Australian National University, Canberra ACT 0200 (Australia)

    2014-05-14T23:59:59.000Z

    We introduce a generalization (gLDA) of the traditional Local Density Approximation (LDA) within density functional theory. The gLDA uses both the one-electron Seitz radius r{sub s} and a two-electron hole curvature parameter ? at each point in space. The gLDA reduces to the LDA when applied to the infinite homogeneous electron gas but, unlike the LDA, it is also exact for finite uniform electron gases on spheres. We present an explicit gLDA functional for the correlation energy of electrons that are confined to a one-dimensional space and compare its accuracy with LDA, second- and third-order Møller-Plesset perturbation energies, and exact calculations for a variety of inhomogeneous systems.

  12. Oak Ridge Removes Laboratory's Greatest Source of Groundwater...

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

    Removes Laboratory's Greatest Source of Groundwater Contamination Oak Ridge Removes Laboratory's Greatest Source of Groundwater Contamination May 1, 2012 - 12:00pm Addthis Workers...

  13. Linear interpolation method in ensemble Kohn-Sham and range-separated density-functional approximations for excited states

    E-Print Network [OSTI]

    Senjean, Bruno; Jensen, Hans Jørgen Aa; Fromager, Emmanuel

    2015-01-01T23:59:59.000Z

    The computation of excitation energies in range-separated ensemble density-functional theory (DFT) is discussed. The latter approach is appealing as it enables the rigorous formulation of a multi-determinant state-averaged DFT method. In the exact theory, the short-range density functional, that complements the long-range wavefunction-based ensemble energy contribution, should vary with the ensemble weights even when the density is held fixed. This weight dependence ensures that the range-separated ensemble energy varies linearly with the ensemble weights. When the (weight-independent) ground-state short-range exchange-correlation functional is used in this context, curvature appears thus leading to an approximate weight-dependent excitation energy. In order to obtain unambiguous approximate excitation energies, we simply propose to interpolate linearly the ensemble energy between equiensembles. It is shown that such a linear interpolation method (LIM) effectively introduces weight dependence effects. LIM has...

  14. Density functional theory for the description of spherical non-associating monomers in confined media using the SAFT-VR equation of state and weighted density approximations

    SciTech Connect (OSTI)

    Malheiro, Carine; Mendiboure, Bruno; Plantier, Frédéric; Miqueu, Christelle [Université Pau et Pays Adour, CNRS, TOTAL - UMR 5150 – LFC-R – Laboratoire des Fluides Complexes et leurs Réservoirs, BP 1155 – PAU, F-64013 (France)] [Université Pau et Pays Adour, CNRS, TOTAL - UMR 5150 – LFC-R – Laboratoire des Fluides Complexes et leurs Réservoirs, BP 1155 – PAU, F-64013 (France); Blas, Felipe J. [Departamento de Física Aplicada, and Centro de Física Teórica y Matemática FIMAT, Universidad de Huelva, 21071 Huelva (Spain)] [Departamento de Física Aplicada, and Centro de Física Teórica y Matemática FIMAT, Universidad de Huelva, 21071 Huelva (Spain)

    2014-04-07T23:59:59.000Z

    As a first step of an ongoing study of thermodynamic properties and adsorption of complex fluids in confined media, we present a new theoretical description for spherical monomers using the Statistical Associating Fluid Theory for potential of Variable Range (SAFT-VR) and a Non-Local Density Functional Theory (NLDFT) with Weighted Density Approximations (WDA). The well-known Modified Fundamental Measure Theory is used to describe the inhomogeneous hard-sphere contribution as a reference for the monomer and two WDA approaches are developed for the dispersive terms from the high-temperature Barker and Henderson perturbation expansion. The first approach extends the dispersive contributions using the scalar and vector weighted densities introduced in the Fundamental Measure Theory (FMT) and the second one uses a coarse-grained (CG) approach with a unique weighted density. To test the accuracy of this new NLDFT/SAFT-VR coupling, the two versions of the theoretical model are compared with Grand Canonical Monte Carlo (GCMC) molecular simulations using the same molecular model. Only the version with the “CG” approach for the dispersive terms provides results in excellent agreement with GCMC calculations in a wide range of conditions while the “FMT” extension version gives a good representation solely at low pressures. Hence, the “CG” version of the theoretical model is used to reproduce methane adsorption isotherms in a Carbon Molecular Sieve and compared with experimental data after a characterization of the material. The whole results show an excellent agreement between modeling and experiments. Thus, through a complete and consistent comparison both with molecular simulations and with experimental data, the NLDFT/SAFT-VR theory has been validated for the description of monomers.

  15. Estimation of the Parameters of Skew Normal Distribution by Approximating the Ratio of the Normal Density and Distribution Functions

    E-Print Network [OSTI]

    Dey, Debarshi

    2010-01-01T23:59:59.000Z

    2 1.2 Normal Distribution and Simple Linear5 1.3 Skew Normal Distribution andthe Standard Normal Density and Distribution Functions 3.1

  16. The greatest convex minorant of Brownian motion, meander, and bridge

    E-Print Network [OSTI]

    Pitman, Jim

    2010-01-01T23:59:59.000Z

    This article contains both a point process and a sequential description of the greatest convex minorant of Brownian motion on a finite interval. We use these descriptions to provide new analysis of various features of the convex minorant such as the set of times where the Brownian motion meets its minorant. The equivalence of the these descriptions is non-trivial, which leads to many interesting identities between quantities derived from our analysis. The sequential description can be viewed as a Markov chain for which we derive some fundamental properties.

  17. Scalar relativistic computations of nuclear magnetic shielding and g-shifts with the zeroth-order regular approximation and range-separated hybrid density functionals

    SciTech Connect (OSTI)

    Aquino, Fredy W.; Govind, Niranjan; Autschbach, Jochen

    2011-10-01T23:59:59.000Z

    Density functional theory (DFT) calculations of NMR chemical shifts and molecular g-tensors with Gaussian-type orbitals are implemented via second-order energy derivatives within the scalar relativistic zeroth order regular approximation (ZORA) framework. Nonhybrid functionals, standard (global) hybrids, and range-separated (Coulomb-attenuated, long-range corrected) hybrid functionals are tested. Origin invariance of the results is ensured by use of gauge-including atomic orbital (GIAO) basis functions. The new implementation in the NWChem quantum chemistry package is verified by calculations of nuclear shielding constants for the heavy atoms in HX (X=F, Cl, Br, I, At) and H2X (X = O, S, Se, Te, Po), and Te chemical shifts in a number of tellurium compounds. The basis set and functional dependence of g-shifts is investigated for 14 radicals with light and heavy atoms. The problem of accurately predicting F NMR shielding in UF6-nCln, n = 1 to 6, is revisited. The results are sensitive to approximations in the density functionals, indicating a delicate balance of DFT self-interaction vs. correlation. For the uranium halides, the results with the range-separated functionals are mixed.

  18. Question of the Week: What are Your Greatest Energy Concerns as We Approach Winter?

    Broader source: Energy.gov [DOE]

    We asked, you answered: What are your greatest energy concerns as we approach the winter heating season?

  19. Oak Ridge Removes Laboratory's Greatest Source of Groundwater

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels DataDepartment of Energy Your Density Isn'tOrigin of Contamination in ManyDepartment of Order No.ofUse | Department ofFCTO|

  20. What the World's GREATEST Energy Managers Do Differently | Department of

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels DataDepartment of Energy Your DensityEnergy U.S.-China Electric VehicleCenters | Department ofof EnergyDepartment

  1. Exploring the limit of accuracy for density functionals based on the generalized gradient approximation: Local, global hybrid, and range-separated hybrid functionals with and without dispersion corrections

    SciTech Connect (OSTI)

    Mardirossian, Narbe; Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu [Department of Chemistry, University of California, Berkeley and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)] [Department of Chemistry, University of California, Berkeley and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2014-05-14T23:59:59.000Z

    The limit of accuracy for semi-empirical generalized gradient approximation (GGA) density functionals is explored by parameterizing a variety of local, global hybrid, and range-separated hybrid functionals. The training methodology employed differs from conventional approaches in 2 main ways: (1) Instead of uniformly truncating the exchange, same-spin correlation, and opposite-spin correlation functional inhomogeneity correction factors, all possible fits up to fourth order are considered, and (2) Instead of selecting the optimal functionals based solely on their training set performance, the fits are validated on an independent test set and ranked based on their overall performance on the training and test sets. The 3 different methods of accounting for exchange are trained both with and without dispersion corrections (DFT-D2 and VV10), resulting in a total of 491 508 candidate functionals. For each of the 9 functional classes considered, the results illustrate the trade-off between improved training set performance and diminished transferability. Since all 491 508 functionals are uniformly trained and tested, this methodology allows the relative strengths of each type of functional to be consistently compared and contrasted. The range-separated hybrid GGA functional paired with the VV10 nonlocal correlation functional emerges as the most accurate form for the present training and test sets, which span thermochemical energy differences, reaction barriers, and intermolecular interactions involving lighter main group elements.

  2. Climate change is one of the greatest threats facing us today. CICERO's mission

    E-Print Network [OSTI]

    Johansen, Tom Henning

    Climate change is one of the greatest threats facing us today. CICERO's mission is to provide reliable and comprehensive knowledge about all aspects of the climate change problem. Foto: Scanpix #12;Climate change is one of the greatest threats facing us today. CICERO's mission is to provide reliable

  3. Nonadiabatic coupling vectors for excited states within time-dependent density functional theory in the TammDancoff approximation and beyond

    E-Print Network [OSTI]

    Cuendet, Michel

    coupling vectors and compared them with results from high level MR-CISD electronic structure calculations electrons and nuclei dynamics from the adiabatic BO approximation. The knowl- edge of the NACs is therefore; published online 16 November 2010 Recently, we have proposed a scheme for the calculation of nonadiabatic

  4. Invasive species Invasive species have been described as the second-greatest

    E-Print Network [OSTI]

    Davis, Mark A.

    ····· Invasive species Invasive species have been described as the second-greatest extinction species a major cause of animal extinctions, or has the extinction threat of invasive species been exaggerated? By what mechanisms have invasive species driven animal species to extinction? Are certain animal

  5. Lead in Species of Greatest Conservation Need: Free-flying Bald Eagles as Indicators

    E-Print Network [OSTI]

    Koford, Rolf R.

    Lead in Species of Greatest Conservation Need: Free-flying Bald Eagles as Indicators Principal Wildlife Grant Goals and Objectives: o Characterize lead levels in nesting and wintering Bald Eagles in Iowa State University o Compare lead exposure in free-flying eagles with eagles admitted

  6. Pressure-induced magnetic, structural, and electronic phase transitions in LaFeO{sub 3}: A density functional theory (generalized gradient approximation)?+?U study

    SciTech Connect (OSTI)

    Javaid, Saqib [EMMG, Physics Division, PINSTECH, P.O. Nilore, Islamabad (Pakistan); National Centre of Physics, Islamabad (Pakistan); Javed Akhtar, M., E-mail: javedakhtar6@gmail.com [EMMG, Physics Division, PINSTECH, P.O. Nilore, Islamabad (Pakistan)

    2014-07-14T23:59:59.000Z

    We have investigated the behavior of orthoferrite LaFeO{sub 3} at ambient conditions and under pressure using DFT (generalized gradient approximation (GGA))?+?U approach. Ground state electronic (band gap) and magnetic properties are considerably improved due to the Hubbard correction. Moreover, the experimentally observed pressure-driven phase transition, namely, the simultaneous occurrence of spin crossover, isostructural volume collapse, and drastic reduction in electrical resistance (electronic phase transition) is nicely described by GGA?+?U calculations. In particular, despite a sharp drop in resistance, a small band gap still remains in the low spin state indicating an insulator to semiconductor phase transition, in good agreement with the experiments but in contrast to GGA, which predicts metallic behavior in low spin state. We discuss the origin of variation in electronic structure of LaFeO{sub 3} in low spin state as obtained from GGA to GGA?+?U methods. These results emphasize the importance of correlation effects in describing the pressure-driven phase transition in LaFeO{sub 3} and other rare-earth orthoferrites.

  7. Einstein as the Greatest of the Nineteenth Century Physicists John D. Norton

    E-Print Network [OSTI]

    Einstein as the Greatest of the Nineteenth Century Physicists John D. Norton Department of History://www.pitt.edu/~jdnorton This text is based on the chapter of the same name in my online textbook, Einstein for Everyone at http://www.pitt.edu/~jdnorton/teaching/HPS_0410/chapters/index.html Modern day writers often endow Einstein with a 21st century prescience about

  8. Fast Approximate Convex Decomposition 

    E-Print Network [OSTI]

    Ghosh, Mukulika

    2012-10-19T23:59:59.000Z

    Approximate convex decomposition (ACD) is a technique that partitions an input object into "approximately convex" components. Decomposition into approximately convex pieces is both more efficient to compute than exact ...

  9. Approximate Maximum Principle for Discrete Approximations of ...

    E-Print Network [OSTI]

    2012-03-20T23:59:59.000Z

    Approximations of Optimal Control Systems with. Nonsmooth .... of any endpoint constraints on trajectories of linear one-dimensional control systems in (PN ).

  10. Pair densities in density functional theory

    E-Print Network [OSTI]

    Chen, Huajie

    2015-01-01T23:59:59.000Z

    The exact interaction energy of a many-electron system is determined by the electron pair density, which is not well-approximated in standard Kohn-Sham density functional models. Here we study the (complicated but well-defined) exact universal map from density to pair density. We show that many common functionals, including the most basic version of the LDA (Dirac exchange with no correlation contribution), arise from particular approximations of this map. We develop an algorithm to compute the map numerically, and apply it to one-parameter families {a*rho(a*x)} of one-dimensional homogeneous and inhomogeneous single-particle densities. We observe that the pair density develops remarkable multiscale patterns which strongly depend on both the particle number and the "width" 1/a of the single-particle density. The simulation results are confirmed by rigorous asymptotic results in the limiting regimes a>>1 and a<<1. For one-dimensional homogeneous systems, we show that the whole spectrum of patterns is rep...

  11. Density-dependent covariant energy density functionals

    SciTech Connect (OSTI)

    Lalazissis, G. A. [Physics Department, Aristotle University of Thessaloniki, GR-54124 (Greece)

    2012-10-20T23:59:59.000Z

    Relativistic nuclear energy density functionals are applied to the description of a variety of nuclear structure phenomena at and away fromstability line. Isoscalar monopole, isovector dipole and isoscalar quadrupole giant resonances are calculated using fully self-consistent relativistic quasiparticle randomphase approximation, based on the relativistic Hartree-Bogoliubovmodel. The impact of pairing correlations on the fission barriers in heavy and superheavy nuclei is examined. The role of pion in constructing desnity functionals is also investigated.

  12. Approximation of Stochastic Process

    E-Print Network [OSTI]

    Alois Pichler

    2012-05-08T23:59:59.000Z

    May 8, 2012 ... The approximation of stochastic processes by trees is an important topic in ... process ? is replaced by a finitely valued stochastic scenario ...

  13. Theory&approximations Quasiparticles

    E-Print Network [OSTI]

    Marini, Andrea

    .yambo-code.org Step 1: Build-up independent particles response function electrons space of phases holes space to calculate the response function www.yambo-code.org Step 2: Towards the "real" response function level by its electronic density: change in the electronic density: Key quantity: Density response Describe

  14. A common visual metric for approximate number and density

    E-Print Network [OSTI]

    Kingdom, Frederick A. A.

    is largely determined by the number of objects, whereas low SF energy depends more on the area occupied, Canada H3A 1A1; d Applied Vision Research Centre, City University, London EC1V 0HB, United Kingdom; and e response of mechanisms tuned to low and high spatial frequencies (SFs), because energy at high SFs

  15. Monte Carlo Greeks for financial products via approximative transition densities

    E-Print Network [OSTI]

    Schoenmakers, John

    expansions. 2000 AMS subject classification: 60H10, 62G07, 65C05 1 Introduction Valuation methods for high

  16. Multicriteria approximation through decomposition

    SciTech Connect (OSTI)

    Burch, C. [Carnegie Mellon Univ., Pittsburgh, PA (United States). School of Computer Sciences]|[Sandia National Labs., Albuquerque, NM (United States); Krumke, S. [Univ. of Wuerzburg (Germany). Dept. of Computer Science; Marathe, M. [Los Alamos National Lab., NM (United States); Phillips, C. [Sandia National Labs., Albuquerque, NM (United States). Applied Mathematics Dept.; Sundberg, E. [Rutgers Univ., NJ (United States). Dept. of Computer Science]|[Sandia National Labs., Albuquerque, NM (United States)

    1997-12-01T23:59:59.000Z

    The authors propose a general technique called solution decomposition to devise approximation algorithms with provable performance guarantees. The technique is applicable to a large class of combinatorial optimization problems that can be formulated as integer linear programs. Two key ingredients of the technique involve finding a decomposition of a fractional solution into a convex combination of feasible integral solutions and devising generic approximation algorithms based on calls to such decompositions as oracles. The technique is closely related to randomized rounding. The method yields as corollaries unified solutions to a number of well studied problems and it provides the first approximation algorithms with provable guarantees for a number of new problems. The particular results obtained in this paper include the following: (1) The authors demonstrate how the technique can be used to provide more understanding of previous results and new algorithms for classical problems such as Multicriteria Spanning Trees, and Suitcase Packing. (2) They show how the ideas can be extended to apply to multicriteria optimization problems, in which they wish to minimize a certain objective function subject to one or more budget constraints. As corollaries they obtain first non-trivial multicriteria approximation algorithms for problems including the k-Hurdle and the Network Inhibition problems.

  17. Multicriteria approximation through decomposition

    SciTech Connect (OSTI)

    Burch, C. [Carnegie Mellon Univ., Pittsburgh, PA (United States). School of Computer Science; Krumke, S. [Univ. of Wuerzburg (Germany). Dept. of Computer Science; Marathe, M. [Los Alamos National Lab., NM (United States); Phillips, C. [Sandia National Labs., Albuquerque, NM (United States). Applied Mathematics Dept.; Sundberg, E. [Rutgers Univ., NJ (United States). Dept. of Computer Science

    1998-06-01T23:59:59.000Z

    The authors propose a general technique called solution decomposition to devise approximation algorithms with provable performance guarantees. The technique is applicable to a large class of combinatorial optimization problems that can be formulated as integer linear programs. Two key ingredients of their technique involve finding a decomposition of a fractional solution into a convex combination of feasible integral solutions and devising generic approximation algorithms based on calls to such decompositions as oracles. The technique is closely related to randomized rounding. Their method yields as corollaries unified solutions to a number of well studied problems and it provides the first approximation algorithms with provable guarantees for a number of new problems. The particular results obtained in this paper include the following: (1) the authors demonstrate how the technique can be used to provide more understanding of previous results and new algorithms for classical problems such as Multicriteria Spanning Trees, and Suitcase Packing; (2) they also show how the ideas can be extended to apply to multicriteria optimization problems, in which they wish to minimize a certain objective function subject to one or more budget constraints. As corollaries they obtain first non-trivial multicriteria approximation algorithms for problems including the k-Hurdle and the Network Inhibition problems.

  18. Wave-mechanics and the adhesion approximation

    E-Print Network [OSTI]

    C. J. Short; P. Coles

    2006-11-22T23:59:59.000Z

    The dynamical equations describing the evolution of a self-gravitating fluid of cold dark matter (CDM) can be written in the form of a Schrodinger equation coupled to a Poisson equation describing Newtonian gravity. It has recently been shown that, in the quasi-linear regime, the Schrodinger equation can be reduced to the exactly solvable free-particle Schrodinger equation. The free-particle Schrodinger equation forms the basis of a new approximation scheme -the free-particle approximation - that is capable of evolving cosmological density perturbations into the quasi-linear regime. The free-particle approximation is essentially an alternative to the adhesion model in which the artificial viscosity term in Burgers' equation is replaced by a non-linear term known as the quantum pressure. Simple one-dimensional tests of the free-particle method have yielded encouraging results. In this paper we comprehensively test the free-particle approximation in a more cosmologically relevant scenario by appealing to an N-body simulation. We compare our results with those obtained from two established methods: the linearized fluid approach and the Zeldovich approximation. We find that the free-particle approximation comprehensively out-performs both of these approximation schemes in all tests carried out and thus provides another useful analytical tool for studying structure formation on cosmological scales.

  19. "The Most Hazardous and Dangerous and Greatest Adventure on Which Man Has Ever Embarked": The Frontier in Presidential Pro-Space Discourse, 1957-1963

    E-Print Network [OSTI]

    Leyerzapf, Amy Beth

    2011-12-31T23:59:59.000Z

    “The Most Hazardous and Dangerous and Greatest Adventure on Which Man Has Ever Embarked”: The Frontier in Presidential Pro-Space Discourse, 1957-1963 By Amy Beth Leyerzapf Submitted to the graduate degree program in Communication Studies....D. ________________________________ Dr. Jerry Bailey, Ed.D. Date Defended: September 1, 2011 ii The Dissertation Committee for Amy Beth Leyerzapf certifies that this is the approved version of the following dissertation: “The Most Hazardous and Dangerous...

  20. Quantum critical benchmark for density functional theory

    E-Print Network [OSTI]

    Paul E. Grabowski; Kieron Burke

    2014-08-09T23:59:59.000Z

    Two electrons at the threshold of ionization represent a severe test case for electronic structure theory. A pseudospectral method yields a very accurate density of the two-electron ion with nuclear charge close to the critical value. Highly accurate energy components and potentials of Kohn-Sham density functional theory are given, as well as a useful parametrization of the critical density. The challenges for density functional approximations and the strength of correlation are also discussed.

  1. Phenomenological Relativistic Energy Density Functionals

    SciTech Connect (OSTI)

    Lalazissis, G. A.; Kartzikos, S. [Physics Department, Aristotle University of Thessaloniki (Greece); Niksic, T.; Paar, N.; Vretenar, D. [Physics Department, University of Zagreb (Croatia); Ring, P. [Physics Department, TU Muenchen, Garching (Germany)

    2009-08-26T23:59:59.000Z

    The framework of relativistic nuclear energy density functionals is applied to the description of a variety of nuclear structure phenomena, not only in spherical and deformed nuclei along the valley of beta-stability, but also in exotic systems with extreme isospin values and close to the particle drip-lines. Dynamical aspects of exotic nuclear structure is explored using the fully consistent quasiparticle random-phase approximation based on the relativistic Hartree-Bogoliubov model. Recent applications of energy density functionals with explicit density dependence of the meson-nucleon couplings are presented.

  2. Uniform asymptotic approximations of integrals 

    E-Print Network [OSTI]

    Khwaja, Sarah Farid

    2014-07-01T23:59:59.000Z

    In this thesis uniform asymptotic approximations of integrals are discussed. In order to derive these approximations, two well-known methods are used i.e., the saddle point method and the Bleistein method. To start with ...

  3. Relativistic Random Phase Approximation At Finite Temperature

    SciTech Connect (OSTI)

    Niu, Y. F. [State Key Laboratory for Nuclear Physics and Technology, School of Physics, Peking University, Beijing 100871 (China); Physics Department, Faculty of Science, University of Zagreb (Croatia); Paar, N.; Vretenar, D. [Physics Department, Faculty of Science, University of Zagreb (Croatia); Meng, J. [State Key Laboratory for Nuclear Physics and Technology, School of Physics, Peking University, Beijing 100871 (China)

    2009-08-26T23:59:59.000Z

    The fully self-consistent finite temperature relativistic random phase approximation (FTRRPA) has been established in the single-nucleon basis of the temperature dependent Dirac-Hartree model (FTDH) based on effective Lagrangian with density dependent meson-nucleon couplings. Illustrative calculations in the FTRRPA framework show the evolution of multipole responses of {sup 132}Sn with temperature. With increased temperature, in both monopole and dipole strength distributions additional transitions appear in the low energy region due to the new opened particle-particle and hole-hole transition channels.

  4. Supporting Text Approximation of the Multinomial. Using Stirling's approximation

    E-Print Network [OSTI]

    Peterson, Carsten

    Supporting Text Approximation of the Multinomial. Using Stirling's approximation n! (n/e)n 2n! . [S12] To calculate B L (^n) limN BN L (^n), we apply Stirling's formula to N!, n0!, and n1!, which that r Stirling's formula

  5. Mentoring is one of the greatest opportunities to both gain teaching and communication experience along with helping children in need. The experience of being able to change a child's life by

    E-Print Network [OSTI]

    Suzuki, Masatsugu

    James D. My Story Mentoring is one of the greatest opportunities to both gain teaching of the occasions where I really had an empowering moment as a mentor was in math class with my mentee. He

  6. A current density distribution tool

    E-Print Network [OSTI]

    Jagush, Frederic A.

    1989-01-01T23:59:59.000Z

    . I. INTRODUCTION Current density distribution is an important consideration for those involved in electrochemical systems and electroplating in particular. In the printed wiring board (PWB) business, great emphasis is placed on the study of current... exist. Numerical techniques on the other hand, are usually easy to implement and are easily applicable to microcomputers. Their disadvantage as with any approximation technique is that the exactness of the results with This document follows the style...

  7. Mechanism design with approximate types

    E-Print Network [OSTI]

    Zhu, Zeyuan Allen

    2012-01-01T23:59:59.000Z

    In mechanism design, we replace the strong assumption that each player knows his own payoff type exactly with the more realistic assumption that he knows it only approximately: each player i only knows that his true type ...

  8. Transient approximations in queueing networks

    E-Print Network [OSTI]

    Andrewartha, John Michael

    1989-01-01T23:59:59.000Z

    TRANSIENT APPROXIMATIONS IN QUEUEING NETWORKS A Thesis by JOHN MICHAEL ANDREWARTHA Submitted to the Office of Graduate Studies of Texas A&M University in partial fulfillment of the requirements for the degree of MASTER OF SCIENCE May 1989... Major Subject: Electrical Engineering TRANSIENT APPROXIMATIONS IN QUEUEING NETWORKS A Thesis JOHN MICHAEL ANDREWARTHA Approved as to style and content by: P. E. Cantrell (Chair of Committee) m P7~ W. K. Tsai (Member) J. D. Gibson (Member) R...

  9. How Synchronisation Strategy Approximation in PEPA Implementations affects Passage Time

    E-Print Network [OSTI]

    Imperial College, London

    time densities and dis- tributions from stochastic models defined in PEPA, a stochastic process algebra. In stochastic process algebras, the synchronisation policy is important for defin- ing how different system;good approximation to underlying aggregate complex but deterministic dynamics or genuine random

  10. How Synchronisation Strategy Approximation in PEPA Implementations affects Passage Time

    E-Print Network [OSTI]

    Bradley, Jeremy

    passage time densities and dis­ tributions from stochastic models defined in PEPA, a stochastic process algebra. In stochastic process algebras, the synchronisation policy is important for defin­ ing how, or a #12; good approximation to underlying aggregate complex but deterministic dynamics or genuine random

  11. Non-ideal boson system in the Gaussian approximation

    SciTech Connect (OSTI)

    Tommasini, P.R. [Institute for Theoretical Atomic and Molecular Physics, Harvard-Smithsonian Center for Astrophysics, Cambridge, Massachusetts 02138 (United States)] [Institute for Theoretical Atomic and Molecular Physics, Harvard-Smithsonian Center for Astrophysics, Cambridge, Massachusetts 02138 (United States); de Toledo Piza, A.F. [Instituto de Fisica, Universidade de Sao Paulo, C.P. 66318, 05389-970 Sao Paulo, SP, (Brasil)] [Instituto de Fisica, Universidade de Sao Paulo, C.P. 66318, 05389-970 Sao Paulo, SP, (Brasil)

    1997-01-01T23:59:59.000Z

    We investigate ground-state and thermal properties of a system of non-relativistic bosons interacting through repulsive, two-body interactions in a self-consistent Gaussian mean-field approximation which consists in writing the variationally determined density operator as the most general Gaussian functional of the quantized field operators. Finite temperature results are obtained in a grand canonical framework. Contact is made with the results of Lee, Yang, and Huang in terms of particular truncations of the Gaussian approximation. The full Gaussian approximation supports a free phase or a thermodynamically unstable phase when contact forces and a standard renormalization scheme are used. When applied to a Hamiltonian with zero range forces interpreted as an effective theory with a high momentum cutoff, the full Gaussian approximation generates a quasi-particle spectrum having an energy gap, in conflict with perturbation theory results. {copyright} 1997 Academic Press, Inc.

  12. Convex approximations in stochastic programming by semidefinite ...

    E-Print Network [OSTI]

    2010-04-19T23:59:59.000Z

    This experience leads us to force the convexity of the approximating quadratic ..... As we can see, the least-squares approximation works well only if the data ...

  13. Marking Streets to Improve Parking Density

    E-Print Network [OSTI]

    Xu, Chao

    2015-01-01T23:59:59.000Z

    Street parking spots for automobiles are a scarce commodity in most urban environments. The heterogeneity of car sizes makes it inefficient to rigidly define fixed-sized spots. Instead, unmarked streets in cities like New York leave placement decisions to individual drivers, who have no direct incentive to maximize street utilization. In this paper, we explore the effectiveness of two different behavioral interventions designed to encourage better parking, namely (1) educational campaigns to encourage parkers to "kiss the bumper" and reduce the distance between themselves and their neighbors, or (2) painting appropriately-spaced markings on the street and urging drivers to "hit the line". Through analysis and simulation, we establish that the greatest densities are achieved when lines are painted to create spots roughly twice the length of average-sized cars. Kiss-the-bumper campaigns are in principle more effective than hit-the-line for equal degrees of compliance, although we believe that the visual cues of...

  14. The temperature dependence of equilibrium plasma density

    E-Print Network [OSTI]

    B. V. Vasiliev

    2002-03-17T23:59:59.000Z

    Temperature dependence of an electron-nuclear plasma equilibrium density is considered basing on known approaches, which are given in (1)(2). It is shown that at a very high temperature, which is characteristic for a star interior, the equilibrium plasma density is almost constant and equals approximately to $10^{25}$ particles per $cm^3$. At a relatively low temperature, which is characteristic for star surface, the equilibrium plasma density is in several orders lower and depends on temperature as $T^{3/2}$.

  15. Approximating Metal-Insulator Transitions

    E-Print Network [OSTI]

    C. Danieli; K. Rayanov; B. Pavlov; G. Martin; S. Flach

    2014-05-06T23:59:59.000Z

    We consider quantum wave propagation in one-dimensional quasiperiodic lattices. We propose an iterative construction of quasiperiodic potentials from sequences of potentials with increasing spatial period. At each finite iteration step the eigenstates reflect the properties of the limiting quasiperiodic potential properties up to a controlled maximum system size. We then observe approximate metal-insulator transitions (MIT) at the finite iteration steps. We also report evidence on mobility edges which are at variance to the celebrated Aubry-Andre model. The dynamics near the MIT shows a critical slowing down of the ballistic group velocity in the metallic phase similar to the divergence of the localization length in the insulating phase.

  16. The slope-dependent nuclear-symmetry energy within the effective surface approximation

    E-Print Network [OSTI]

    J. P. Blocki; A. G. Magner; P. Ring

    2015-06-08T23:59:59.000Z

    The effective surface approximation is extended taking into account derivatives of the symmetry energy density per particle over the mean particle density. The isoscalar and isovector particle densities in this extended effective surface approximation are derived. The improved expressions of the surface symmetry energy, in particular, its surface tension coefficients in the sharp edged proton-neutron asymmetric nuclei take into account important gradient terms of the energy density functional. For most Skyrme forces the surface symmetry-energy constants and the corresponding neutron skins and isovector stiffnesses are calculated as functions of the Swiatecki derivative of the non-gradient term of the symmetry energy density per particle with respect to the isoscalar density. Using the analytical isovector surface energy constants in the framework of the Fermi-liquid droplet model we find energies and sum rules of the isovector giant dipole resonance structure in a reasonable agreement with the experimental data and other theoretical approaches.

  17. The slope-dependent nuclear-symmetry energy within the effective surface approximation

    E-Print Network [OSTI]

    Blocki, J P; Ring, P

    2015-01-01T23:59:59.000Z

    The effective surface approximation is extended taking into account derivatives of the symmetry energy density per particle over the mean particle density. The isoscalar and isovector particle densities in this extended effective surface approximation are derived. The improved expressions of the surface symmetry energy, in particular, its surface tension coefficients in the sharp edged proton-neutron asymmetric nuclei take into account important gradient terms of the energy density functional. For most Skyrme forces the surface symmetry-energy constants and the corresponding neutron skins and isovector stiffnesses are calculated as functions of the Swiatecki derivative of the non-gradient term of the symmetry energy density per particle with respect to the isoscalar density. Using the analytical isovector surface energy constants in the framework of the Fermi-liquid droplet model we find energies and sum rules of the isovector giant dipole resonance structure in a reasonable agreement with the experimental da...

  18. Equation for liquid density

    SciTech Connect (OSTI)

    Yaws, C.L.; Yang, H.C.; Hopper, J.R.; Cawley, W.A. (Lamar Univ., Beaumont, TX (US))

    1991-01-01T23:59:59.000Z

    Saturated liquid densities for organic chemicals are given as functions of temperature using a modified Rackett equation.

  19. Low Density Nuclear Matter in Heavy Ion Collisions 

    E-Print Network [OSTI]

    Qin, Lijun

    2010-01-14T23:59:59.000Z

    The symmetry energy is the energy difference between symmetric nuclear matter and pure neutron matter at a given density. Around normal nuclear density, i.e. p/p0 =1, and temperature, i.e. T = 0, the symmetry energy is approximately 23.5 Me...

  20. Reflectance Function Approximation for Material Classification

    E-Print Network [OSTI]

    Dyer, Charles R.

    Reflectance Function Approximation for Material Classification Edward Wild CS 766 Final Project This report summarizes the results of a project to approximate reflectance functions and classify materials to classify materials. Classification algorithms are proposed to deal with unseen materials. Experimental

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

    E-Print Network [OSTI]

    2007-10-03T23:59:59.000Z

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

  2. Fast Local Approximation to Global Illumination

    E-Print Network [OSTI]

    Wyman, Chris

    based technique #12;Approach to Shadows · Assume: ­ Approximate shadow umbra with hard shadow ­ Object

  3. Gaussian approximation to the condensation of the interacting Bose gas

    E-Print Network [OSTI]

    Anna Okopi?ska

    2003-09-29T23:59:59.000Z

    The effective action formalism of quantum field theory is used to study the properties of the non-relativistic interacting Bose gas. The Gaussian approximation is formulated by calculating the effective action to the first order of the optimized expansion. In the homogeneous limit the method respects the Hughenholz-Pines theorem, leading to the gapless spectrum both for excitations and for density fluctuations. Renormalization is carried out by adopting dimensional regularization. The results for critical temperature are compared with that obtained in the loop expansion.

  4. Finite element approximation of coupled seismic and ...

    E-Print Network [OSTI]

    zyserman

    layer, having a thickness of about 10 nm. Finite element approximation of coupled seismic and electromagnetic waves in gas hydrate-bearing sediments – p.

  5. Optimization Online - Equivalence of an Approximate Linear ...

    E-Print Network [OSTI]

    Alejandro Toriello

    2013-02-07T23:59:59.000Z

    Feb 7, 2013 ... Equivalence of an Approximate Linear Programming Bound with the Held-Karp Bound for the Traveling Salesman Problem. Alejandro Toriello ...

  6. Optimization Online - Probabilistic optimization via approximate p ...

    E-Print Network [OSTI]

    W. van vAckooij

    2015-05-27T23:59:59.000Z

    May 27, 2015 ... Probabilistic optimization via approximate p-efficient points and bundle methods. W. van vAckooij(wim.van-ackooij ***at*** edf.fr )

  7. Successive Convex Approximations to Cardinality-Constrained ...

    E-Print Network [OSTI]

    2012-04-16T23:59:59.000Z

    Replacing the ?0-norm (car- dinality) constraint in (P) by the above DC approximation ?(x, t), we obtain the following quadratic program with a DC constraint: (Pt).

  8. Approximations by Orthonormal Mapped Chebyshev Functions for ...

    E-Print Network [OSTI]

    2014-03-12T23:59:59.000Z

    a School of Mathematical Science, Xiamen University, 361005 Xiamen, China .... suitable mapping can be used to approximate functions on the whole line R (cf.

  9. Section 2.5: Approximations Using Increments

    E-Print Network [OSTI]

    2014-04-05T23:59:59.000Z

    Feb 26, 2014 ... Lesson 19. Definition. Examples. In this lesson we will discuss a method for approximating the value of a function at a specified point.

  10. approximate exchange-energy densities: Topics by E-print Network

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

    previously Phys. Rev. B 74, 205121 (2006) produces results which compare favorably with maximum entropy and even give analytic continuations of Green functions to the unphysical...

  11. Blood Management Using Approximate Linear Programming

    E-Print Network [OSTI]

    Shenoy, Prashant

    Blood Management Using Approximate Linear Programming Marek Petrik and Shlomo Zilberstein January 13th, 2009 Marek Petrik and Shlomo Zilberstein () Blood Management Using Approximate Linear ProgrammingJanuary 13th, 2009 1 / 36 #12;Blood Inventory Management Problem Regional blood banks: Aggregate

  12. January 2006 The 11 Greatest Supply

    E-Print Network [OSTI]

    Bartholdi III, John J.

    project to revamp both its IT systems and its distribution facilities. This involved a new ERP system, this was perhaps SAP's first foray into the world of high volume distribution. The system was unable to handle for product movement. The company was estimating huge efficiency gains from the new systems ­ so much so

  13. 1987A: The greatest supernova since Kepler

    E-Print Network [OSTI]

    Trimble, V

    1988-01-01T23:59:59.000Z

    Woosley, S. E. , 1988b, in Supernovae 19873 in the LargeGalactic Nuclei, and Supernovae, edited by S. Hayakawa andGalactic nuclei, and Supernovae, edited by S. Hayakawa and

  14. The Columbia Americas Greatest Power Stream

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level:Energy: Grid Integration Redefining What'sis Taking Over Our InstagramStructureProposedPAGESafetyTed5, 2015Computing for StockpileThe

  15. Approximate error conjugation gradient minimization methods

    DOE Patents [OSTI]

    Kallman, Jeffrey S

    2013-05-21T23:59:59.000Z

    In one embodiment, a method includes selecting a subset of rays from a set of all rays to use in an error calculation for a constrained conjugate gradient minimization problem, calculating an approximate error using the subset of rays, and calculating a minimum in a conjugate gradient direction based on the approximate error. In another embodiment, a system includes a processor for executing logic, logic for selecting a subset of rays from a set of all rays to use in an error calculation for a constrained conjugate gradient minimization problem, logic for calculating an approximate error using the subset of rays, and logic for calculating a minimum in a conjugate gradient direction based on the approximate error. In other embodiments, computer program products, methods, and systems are described capable of using approximate error in constrained conjugate gradient minimization problems.

  16. An efficient approach to approximating the pair distribution function of the inhomogeneous hard-sphere fluid

    E-Print Network [OSTI]

    Paho Lurie-Gregg; Jeff B. Schulte; David Roundy

    2014-09-24T23:59:59.000Z

    We introduce an approximation for the pair distribution function of the inhomogeneous hard sphere fluid. Our approximation makes use of our recently published averaged pair distribution function at contact which has been shown to accurately reproduce the averaged pair distribution function at contact for inhomogeneous density distributions. This approach achieves greater computational efficiency than previous approaches by enabling the use of exclusively fixed-kernel convolutions and thus allowing an implementation using fast Fourier transforms. We compare results for our pair distribution approximation with two previously published works and Monte-Carlo simulation, showing favorable results.

  17. Statistical mechanics of the nonlinear Schroedinger equation. II. Mean field approximation

    SciTech Connect (OSTI)

    Lebowitz, J.L.; Rose, H.A.; Speer, E.R.

    1989-01-01T23:59:59.000Z

    The authors investigate a mean field approximation to the statistical mechanics of complex fields with dynamics governed by the nonlinear Schroedinger equation. Such fields, whose Hamiltonian is unbounded below, may model plasmas, lasers, and other physical systems. Restricting themselves to one-dimensional systems with periodic boundary conditions, we find in the mean field approximation a phase transition from a uniform regime to a regime in which the system is dominated by solitons. They compute explicitly, as a function of temperature and density (L/sup 2/ norm), the transition point at which the uniform configuration becomes unstable to local perturbations; static and dynamic mean field approximations yield the same result.

  18. Formalising the Slow-Roll Approximation in Inflation

    E-Print Network [OSTI]

    Andrew R. Liddle; Paul Parsons; John D. Barrow

    1994-08-04T23:59:59.000Z

    The meaning of the inflationary slow-roll approximation is formalised. Comparisons are made between an approach based on the Hamilton-Jacobi equations, governing the evolution of the Hubble parameter, and the usual scenario based on the evolution of the potential energy density. The vital role of the inflationary attractor solution is emphasised, and some of its properties described. We propose a new measure of inflation, based upon contraction of the comoving Hubble length as opposed to the usual e-foldings of physical expansion, and derive relevant formulae. We introduce an infinite hierarchy of slow-roll parameters, and show that only a finite number of them are required to produce results to a given order. The extension of the slow-roll approximation into an analytic slow-roll expansion, converging on the exact solution, is provided. Its role in calculations of inflationary dynamics is discussed. We explore rational-approximants as a method of extending the range of convergence of the slow-roll expansion up to, and beyond, the end of inflation.

  19. High density matter

    E-Print Network [OSTI]

    J. R. Stone

    2013-02-11T23:59:59.000Z

    The microscopic composition and properties of matter at super-saturation densities have been the subject of intense investigation for decades. The scarcity of experimental and observational data has lead to the necessary reliance on theoretical models. However, there remains great uncertainty in these models, which, of necessity, have to go beyond the over-simple assumption that high density matter consists only of nucleons and leptons. Heavy strange baryons, mesons and quark matter in different forms and phases have to be included to fulfil basic requirements of fundamental laws of physics. In this review the latest developments in construction of the Equation of State (EoS) of high-density matter at zero and finite temperature assuming different composition of the matter are surveyed. Critical comparison of model EoS with available observational data on neutron stars, including gravitational masses, radii and cooling patterns is presented. The effect of changing rotational frequency on the composition of neutron stars during their lifetime is demonstrated. Compatibility of EoS of high-density, low temperature compact objects and low density, high temperature matter created in heavy-ion collisions is discussed.

  20. Density Matrix Topological Insulators

    E-Print Network [OSTI]

    A. Rivas; O. Viyuela; M. A. Martin-Delgado

    2013-10-31T23:59:59.000Z

    Thermal noise can destroy topological insulators (TI). However we demonstrate how TIs can be made stable in dissipative systems. To that aim, we introduce the notion of band Liouvillian as the dissipative counterpart of band Hamiltonian, and show a method to evaluate the topological order of its steady state. This is based on a generalization of the Chern number valid for general mixed states (referred to as density matrix Chern value), which witnesses topological order in a system coupled to external noise. Additionally, we study its relation with the electrical conductivity at finite temperature, which is not a topological property. Nonetheless, the density matrix Chern value represents the part of the conductivity which is topological due to the presence of quantum mixed edge states at finite temperature. To make our formalism concrete, we apply these concepts to the two-dimensional Haldane model in the presence of thermal dissipation, but our results hold for arbitrary dimensions and density matrices.

  1. Optimization of Multibody Systems using Approximation Concepts

    E-Print Network [OSTI]

    Etman, L.F. Pascal

    UNIVERSITEIT EINDHOVEN Optimization of multibody systems using approximation concepts / Lodewijk Franciscus Pascal Etman. - Eindhoven : Technische Universiteit Eindhoven, 1997. - XVIII, 140 p. - With ref concepts / crashworthiness design / vehicle suspension Druk: Universiteitsdrukkerij TU Eindhoven Support

  2. Hardness of approximation for quantum problems

    E-Print Network [OSTI]

    Sevag Gharibian; Julia Kempe

    2012-09-05T23:59:59.000Z

    The polynomial hierarchy plays a central role in classical complexity theory. Here, we define a quantum generalization of the polynomial hierarchy, and initiate its study. We show that not only are there natural complete problems for the second level of this quantum hierarchy, but that these problems are in fact hard to approximate. Using these techniques, we also obtain hardness of approximation for the class QCMA. Our approach is based on the use of dispersers, and is inspired by the classical results of Umans regarding hardness of approximation for the second level of the classical polynomial hierarchy [Umans, FOCS 1999]. The problems for which we prove hardness of approximation for include, among others, a quantum version of the Succinct Set Cover problem, and a variant of the local Hamiltonian problem with hybrid classical-quantum ground states.

  3. Approximation algorithms for QMA-complete problems

    E-Print Network [OSTI]

    Sevag Gharibian; Julia Kempe

    2011-01-20T23:59:59.000Z

    Approximation algorithms for classical constraint satisfaction problems are one of the main research areas in theoretical computer science. Here we define a natural approximation version of the QMA-complete local Hamiltonian problem and initiate its study. We present two main results. The first shows that a non-trivial approximation ratio can be obtained in the class NP using product states. The second result (which builds on the first one), gives a polynomial time (classical) algorithm providing a similar approximation ratio for dense instances of the problem. The latter result is based on an adaptation of the "exhaustive sampling method" by Arora et al. [J. Comp. Sys. Sci. 58, p.193 (1999)] to the quantum setting, and might be of independent interest.

  4. Optimization Online - An Approximation Algorithm for Constructing ...

    E-Print Network [OSTI]

    Artur Pessoa

    2006-09-02T23:59:59.000Z

    Sep 2, 2006 ... In this paper, we propose an approximation algorithm for the 2-bit Hamming prefix code problem. Our algorithm spends $O(n \\log^3 n)$ time to ...

  5. RESTRICTED-TRACE APPROXIMATION FOR NUCLEAR ANTIFERROMAGNETISM

    E-Print Network [OSTI]

    Boyer, Edmond

    1353 RESTRICTED-TRACE APPROXIMATION FOR NUCLEAR ANTIFERROMAGNETISM M. GOLDMAN and G. SARMA Service to predict several properties of nuclear antiferromagnetic structures : sublattice magnetization of nuclear dipolar magnetic ordering, either antiferromagnetic or ferromagnetic, has been reported

  6. Approximate Bivariate Factorization, a Geometric Andre Galligo

    E-Print Network [OSTI]

    Hoeij, Mark van

    INRIA) Laboratoire de Mathematiques Parc Valrose 06108 Nice cedex 02, France galligo@unice.fr Mark van, Maple Code 1. INTRODUCTION 1.1 Approximate algebra Over the past ten years symbolic-numeric algorithms

  7. Optimization in Geometric Graphs: Complexity and Approximation

    E-Print Network [OSTI]

    Kahruman-Anderoglu, Sera

    2011-02-22T23:59:59.000Z

    We consider several related problems arising in geometric graphs. In particular, we investigate the computational complexity and approximability properties of several optimization problems in unit ball graphs and develop algorithms to find exact...

  8. Polymer state approximations of Schroedinger wave functions

    E-Print Network [OSTI]

    Klaus Fredenhagen; Felix Reszewski

    2006-08-25T23:59:59.000Z

    It is shown how states of a quantum mechanical particle in the Schroedinger representation can be approximated by states in the so-called polymer representation. The result may shed some light on the semiclassical limit of loop quantum gravity.

  9. A fresh look at the adhesion approximation

    E-Print Network [OSTI]

    Thomas Buchert

    1997-11-04T23:59:59.000Z

    I report on a systematic derivation of the phenomenological ``adhesion approximation'' from gravitational instability together with a brief evaluation of the related status of analytical modeling of large-scale structure.

  10. Linear source approximation in CASMO5

    SciTech Connect (OSTI)

    Ferrer, R.; Rhodes, J. [Studsvik Scandpower, Inc., 504 Shoup Ave., Idaho Falls, ID 83402 (United States); Smith, K. [Dept. of Nuclear Science and Engineering, Massachusetts Inst. of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139 (United States)

    2012-07-01T23:59:59.000Z

    A Linear Source (LS) approximation has been implemented in the two-dimensional Method of Characteristics (MOC) transport solver in a prototype version of CASMO5. The LS approximation, which relies on the computation of trajectory-based spatial moments over source regions to obtain the linear source expansion coefficients, improves the solution accuracy relative to the 'flat' or constant source approximation. In addition, the LS formulation is capable of treating arbitrarily-shaped source regions and is compatible with standard Coarse-Mesh Finite Difference (CMFD) acceleration. Numerical tests presented in this paper for the C5G7 MOX benchmark show that, for comparable accuracy with respect to the reference solution, the LS approximation can reduce the run time by a factor of four and the memory requirements by a factor often relative to the FS scheme. (authors)

  11. Approximate inference in Gaussian graphical models

    E-Print Network [OSTI]

    Malioutov, Dmitry M., 1981-

    2008-01-01T23:59:59.000Z

    The focus of this thesis is approximate inference in Gaussian graphical models. A graphical model is a family of probability distributions in which the structure of interactions among the random variables is captured by a ...

  12. Harmonic Wavelet Transform and Image Approximation

    E-Print Network [OSTI]

    Zhang, Zhihua; Saito, Naoki

    2010-01-01T23:59:59.000Z

    DOI 10.1007/s10851-010-0202-x Harmonic Wavelet Transform andwe approximate f by a harmonic function u such that thebanks. We call this the Harmonic Wavelet Transform (HWT).

  13. Transient queueing approximations for computer networks

    E-Print Network [OSTI]

    Baker, William A.

    1986-01-01T23:59:59.000Z

    for just the mean. Rothkopf/Oren's and Chang/Wang's methods obtained mean and variance values, and Clark's method produced several quantities which were used to find mean and variance statistics. For the M/M/1 case, the approximations by Gark and Chang... were very ac- curate over a wide range of input patterns and initial conditions. Rothkopf's was accurate over sll conditions but never as accurate as Chang or Clark. Johnston's and Rider's approximations performed acceptably only over some...

  14. Multiple density layered insulator

    DOE Patents [OSTI]

    Alger, Terry W. (Tracy, CA)

    1994-01-01T23:59:59.000Z

    A multiple density layered insulator for use with a laser is disclosed wh provides at least two different insulation materials for a laser discharge tube, where the two insulation materials have different thermoconductivities. The multiple layer insulation materials provide for improved thermoconductivity capability for improved laser operation.

  15. Multiple density layered insulator

    DOE Patents [OSTI]

    Alger, T.W.

    1994-09-06T23:59:59.000Z

    A multiple density layered insulator for use with a laser is disclosed which provides at least two different insulation materials for a laser discharge tube, where the two insulation materials have different thermoconductivities. The multiple layer insulation materials provide for improved thermoconductivity capability for improved laser operation. 4 figs.

  16. Energy in density gradient

    E-Print Network [OSTI]

    Vranjes, J

    2015-01-01T23:59:59.000Z

    Inhomogeneous plasmas and fluids contain energy stored in inhomogeneity and they naturally tend to relax into lower energy states by developing instabilities or by diffusion. But the actual amount of energy in such inhomogeneities has remained unknown. In the present work the amount of energy stored in a density gradient is calculated for several specific density profiles in a cylindric configuration. This is of practical importance for drift wave instability in various plasmas, and in particular in its application in models dealing with the heating of solar corona because the instability is accompanied with stochastic heating, so the energy contained in inhomogeneity is effectively transformed into heat. It is shown that even for a rather moderate increase of the density at the axis in magnetic structures in the corona by a factor 1.5 or 3, the amount of excess energy per unit volume stored in such a density gradient becomes several orders of magnitude greater than the amount of total energy losses per unit ...

  17. The influence of annual species composition and density on perennial seedling density in four plant communities in the Northern Mojave Desert

    SciTech Connect (OSTI)

    Hall, P.F.; Angerer, J.P.; Ostler, W.K. [EG and G Energy Measurements, Inc., Las Vegas, NV (United States); Schultz, B.W. [Nevada Univ., Reno, NV (United States). Desert Research Inst.

    1993-12-31T23:59:59.000Z

    According to the Nuclear Waste Policy Act of 1982 (as amended in 1987), the US Department of Energy (DOE) must study and characterize Yucca Mountain as a potential site for long-term underground storage of high-level nuclear waste. Part of the overall site characterization program is to monitor potential impacts on the biological resources at Yucca Mountain. A part of the biological monitoring program, assessed vegetation parameters included density of annual and perennial seedlings. This data was used to evaluate: (1) seed germination and seed survival; and (2) if annual plant species density and cover influence perennial seedling survival. Twelve permanent 200 {times} 200-m ,study plots were established in each of four vegetation associations present in the Yucca Mountain Project area. During the spring of 1992, 20 to 60, 1-m{sup 2} randomly-located quadrats per study plot were measured for perennial seedling density, annual species density, and annual species composition. Perennial seedlings found in 1992 were relocated in the spring of 1993, and survival determined. Cover was measure in the spring of 1992. Annual plant density and cover was greatest in the Larrea-Lycium-Grayia vegetation association, and lowest in the Larrea-Ambrosia vegetation association. Annual seedling density had a negative exponential relationship with perennial seedling density in 1992. However, non-linear regression analysis indicated that 1992 annual seedling density had a greater impact on survival of pernnial seedlings from 1992 to 1993.

  18. Approximate Killing Fields as an Eigenvalue Problem

    E-Print Network [OSTI]

    Christopher Beetle

    2008-08-12T23:59:59.000Z

    Approximate Killing vector fields are expected to help define physically meaningful spins for non-symmetric black holes in general relativity. However, it is not obvious how such fields should be defined geometrically. This paper relates a definition suggested recently by Cook and Whiting to an older proposal by Matzner, which seems to have been overlooked in the recent literature. It also describes how to calculate approximate Killing fields based on these proposals using an efficient scheme that could be of immediate practical use in numerical relativity.

  19. Extending the Eikonal Approximation to Low Energy

    E-Print Network [OSTI]

    Pierre Capel; Tokuro Fukui; Kazuyuki Ogata

    2014-11-21T23:59:59.000Z

    E-CDCC and DEA, two eikonal-based reaction models are compared to CDCC at low energy (e.g. 20AMeV) to study their behaviour in the regime at which the eikonal approximation is supposed to fail. We confirm that these models lack the Coulomb deflection of the projectile by the target. We show that a hybrid model, built on the CDCC framework at low angular momenta and the eikonal approximation at larger angular momenta gives a perfect agreement with CDCC. An empirical shift in impact parameter can also be used reliably to simulate this missing Coulomb deflection.

  20. Realizing Physical Approximation of the Partial Transpose

    E-Print Network [OSTI]

    Hyang-Tag Lim; Yong-Su Kim; Young-Sik Ra; Joonwoo Bae; Yoon-Ho Kim

    2011-04-18T23:59:59.000Z

    The partial transpose by which a subsystem's quantum state is solely transposed is of unique importance in quantum information processing from both fundamental and practical point of view. In this work, we present a practical scheme to realize a physical approximation to the partial transpose using local measurements on individual quantum systems and classical communication. We then report its linear optical realization and show that the scheme works with no dependence on local basis of given quantum states. A proof-of-principle demonstration of entanglement detection using the physical approximation of the partial transpose is also reported.

  1. Approximate initial data for binary black holes

    E-Print Network [OSTI]

    Kenneth A. Dennison; Thomas W. Baumgarte; Harald P. Pfeiffer

    2006-08-26T23:59:59.000Z

    We construct approximate analytical solutions to the constraint equations of general relativity for binary black holes of arbitrary mass ratio in quasicircular orbit. We adopt the puncture method to solve the constraint equations in the transverse-traceless decomposition and consider perturbations of Schwarzschild black holes caused by boosts and the presence of a binary companion. A superposition of these two perturbations then yields approximate, but fully analytic binary black hole initial data that are accurate to first order in the inverse of the binary separation and the square of the black holes' momenta.

  2. Blind Channel Equalization and -Approximation Algorithms

    E-Print Network [OSTI]

    Ye, Yinyu

    Blind Channel Equalization and #15;-Approximation Algorithms #3; Qingyu Li 1 , Er-Wei Bai 1 University of Iowa Iowa City, IA 52242 Abstract In this paper, we show that a blind equalizer can be obtained without using any sta- tistical information on the input by formulating the blind channel equalization

  3. FRACTAL APPROXIMATION AND COMPRESSION USING PROJECTED IFS

    E-Print Network [OSTI]

    Baskurt, Atilla

    FRACTAL APPROXIMATION AND COMPRESSION USING PROJECTED IFS �ric Guérin, �ric Tosan and Atilla, or images) with fractal models is an important center of interest for research. The general inverse problem.The most known of them is the fractal image compression method introduced by Jacquin. Generally speaking

  4. Approximate Inference and Protein-Folding

    E-Print Network [OSTI]

    Weiss, Yair

    Approximate Inference and Protein-Folding Chen Yanover and Yair Weiss School of Computer Science Side-chain prediction is an important subtask in the protein-folding problem. We show that #12;nding algorithms, including a widely used protein-folding software (SCWRL). 1 Introduction Inference in graphical

  5. APPROXIMATION ALGORITHMS FOR SCHEDULING a dissertation

    E-Print Network [OSTI]

    Chekuri, Chandra

    Approved for the University Committee on Graduate Studies: iii #12; iv #12; Abstract This thesis describes instance of the problem, returns a solution whose value is within some guaranteed multiplicative factor ff release dates only we obtain an e e\\Gamma1 ' 1:58 approximation. For the parallel machine case we obtain

  6. Polynomial Approximations for Continuous Linear Programs

    E-Print Network [OSTI]

    2012-04-05T23:59:59.000Z

    where the cost rate c(t), the right hand side vector b(t) as well as the matrices. G(t) and H(t, ... dual approximations, respectively, estimates the degree of suboptimality of the ...... the matrix of capital coefficients, where Bij defines the stock of good i required per unit of ...... In Optimization methods for resource allocation (Proc.

  7. Symbolic Test Selection Based on Approximate Analysis

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Symbolic Test Selection Based on Approximate Analysis Bertrand Jeannet, Thierry J´eron, Vlad Rusu}@irisa.fr Abstract. This paper addresses the problem of generating symbolic test cases for testing the conformance. The challenge we consider is the selection of test cases according to a test purpose, which is here a set

  8. Approximating Power Indices --Theoretical and Empirical Analysis

    E-Print Network [OSTI]

    Rosenschein, Jeff

    , by providing lower bounds for both deter- ministic and randomized algorithms for calculating power indices. WeApproximating Power Indices -- Theoretical and Empirical Analysis Yoram Bachrach School and Computer Science, The Hebrew University, Jerusalem, Israel Amin Saberi Department of Management Science

  9. Kirchhoff approximation for diffusive waves Jorge Ripoll*

    E-Print Network [OSTI]

    Lorenzo, Jorge Ripoll

    Laboratoire d'Energetique Moleculaire et Macroscopique, Combustion, Ecole Centrale Paris, Centre National de for accurately solving the direct scattering problem 17,18,23 for arbitrary geometries, but these methods,26 . This approximation is a linear method that does not involve matrix inversion while solving the forward problem

  10. IMPROVING THE APPROXIMATION AND CONVERGENCE CAPABILITIES OF

    E-Print Network [OSTI]

    Yeung, Dit-Yan

    ­dimensional data. Projection pursuit learning (PPL) formulates PPR in a neural network framework. One major difference between PPR and PPL is that the smoothers in PPR are nonparametric, whereas those in PPL are based known, we demonstrate that PPL networks do not have the universal approximation and strong convergence

  11. Approximating Human Reaching Volumes Using Inverse Kinematics

    E-Print Network [OSTI]

    Rodríguez, Inmaculada

    of reach: standing reach, which is useful in computer animation where virtual humans have to interact. Introduction Virtual Humans are a valuable medium for gaining knowledge and understanding about the human bodyApproximating Human Reaching Volumes Using Inverse Kinematics I. Rodrígueza , M. Peinadoa , R

  12. High Energy Density Capacitors

    SciTech Connect (OSTI)

    None

    2010-07-01T23:59:59.000Z

    BEEST Project: Recapping is developing a capacitor that could rival the energy storage potential and price of today’s best EV batteries. When power is needed, the capacitor rapidly releases its stored energy, similar to lightning being discharged from a cloud. Capacitors are an ideal substitute for batteries if their energy storage capacity can be improved. Recapping is addressing storage capacity by experimenting with the material that separates the positive and negative electrodes of its capacitors. These separators could significantly improve the energy density of electrochemical devices.

  13. An improved thin film approximation to accurately determine the optical conductivity of graphene from infrared transmittance

    SciTech Connect (OSTI)

    Weber, J. W.; Bol, A. A. [Department of Applied Physics, Eindhoven University of Technology, Den Dolech 2, P.O. Box 513, 5600 MB Eindhoven (Netherlands); Sanden, M. C. M. van de [Department of Applied Physics, Eindhoven University of Technology, Den Dolech 2, P.O. Box 513, 5600 MB Eindhoven (Netherlands); Dutch Institute for Fundamental Energy Research (DIFFER), Nieuwegein (Netherlands)

    2014-07-07T23:59:59.000Z

    This work presents an improved thin film approximation to extract the optical conductivity from infrared transmittance in a simple yet accurate way. This approximation takes into account the incoherent reflections from the backside of the substrate. These reflections are shown to have a significant effect on the extracted optical conductivity and hence on derived parameters as carrier mobility and density. By excluding the backside reflections, the error for these parameters for typical chemical vapor deposited (CVD) graphene on a silicon substrate can be as high as 17% and 45% for the carrier mobility and density, respectively. For the mid- and near-infrared, the approximation can be simplified such that the real part of the optical conductivity is extracted without the need for a parameterization of the optical conductivity. This direct extraction is shown for Fourier transform infrared (FTIR) transmittance measurements of CVD graphene on silicon in the photon energy range of 370–7000?cm{sup ?1}. From the real part of the optical conductivity, the carrier density, mobility, and number of graphene layers are determined but also residue, originating from the graphene transfer, is detected. FTIR transmittance analyzed with the improved thin film approximation is shown to be a non-invasive, easy, and accurate measurement and analysis method for assessing the quality of graphene and can be used for other 2-D materials.

  14. Gluon density in nuclei

    SciTech Connect (OSTI)

    Ayala, A.L. [Rio Grande do Sul Univ., Porto Alegre, RS (Brazil). Inst. de Fisica][Pelotas Univ., RS (Brazil). Inst. de Fisica e Matematica; Ducati, M.B.G. [Rio Grande do Sul Univ., Porto Alegre, RS (Brazil). Inst. de Fisica; Levin, E.M. [Fermi National Accelerator Lab., Batavia, IL (United States)][Nuclear Physics Inst., St. Petersburg (Russian Federation)

    1996-10-01T23:59:59.000Z

    In this talk we present our detailed study (theory and numbers) on the shadowing corrections to the gluon structure functions for nuclei. Starting from rather controversial information on the nucleon structure function which is originated by the recent HERA data, we develop the Glauber approach for the gluon density in a nucleus based on Mueller formula and estimate the value of the shadowing corrections in this case. Then we calculate the first corrections to the Glauber approach and show that these corrections are big. Based on this practical observation we suggest the new evolution equation which takes into account the shadowing corrections and solve it. We hope to convince you that the new evolution equation gives a good theoretical tool to treat the shadowing corrections for the gluons density in a nucleus and, therefore, it is able to provide the theoretically reliable initial conditions for the time evolution of the nucleus-nucleus cascade. The initial conditions should be fixed both theoretically and phenomenologically before to attack such complicated problems as the mixture of hard and soft processes in nucleus-nucleus interactions at high energy or the theoretically reliable approach to hadron or/and parton cascades for high energy nucleus-nucleus interaction. 35 refs., 24 figs., 1 tab.

  15. Energy loss and (de)coherence effects beyond eikonal approximation

    E-Print Network [OSTI]

    Liliana Apolinário; Néstor Armesto; Guilherme Milhano; Carlos A. Salgado

    2014-10-21T23:59:59.000Z

    The parton branching process is known to be modified in the presence of a medium. Colour decoherence processes are known to determine the process of energy loss when the density of the medium is large enough to break the correlations between partons emitted from the same parent. In order to improve existing calculations that consider eikonal trajectories for both the emitter and the hardest emitted parton, we provide in this work, the calculation of all finite energy corrections for the gluon radiation off a quark in a QCD medium that exist in the small angle approximation and for static scattering centres. Using the path integral formalism, all particles are allowed to undergo Brownian motion in the transverse plane and the offspring allowed to carry an arbitrary fraction of the initial energy. The result is a general expression that contains both coherence and decoherence regimes that are controlled by the density of the medium and by the amount of broadening that each parton acquires independently.

  16. Corrections to Thomas-Fermi densities at turning points and beyond

    E-Print Network [OSTI]

    Raphael F. Ribeiro; Donghyung Lee; Attila Cangi; Peter Elliott; Kieron Burke

    2015-02-25T23:59:59.000Z

    Uniform semiclassical approximations for the number and kinetic-energy densities are derived for many non-interacting fermions in one-dimensional potentials with two turning points. The resulting simple, closed-form expressions contain the leading corrections to Thomas-Fermi theory, involve neither sums nor derivatives, are spatially uniform approximations, and are exceedingly accurate.

  17. Orthogonal Polynomial Approximation in Higher Dimensions: Applications in Astrodynamics

    E-Print Network [OSTI]

    Bani Younes, Ahmad H.

    2013-08-05T23:59:59.000Z

    harmonic series by a family of locally precise orthogonal polynomial approximations for efficient computation. A method is introduced which adapts the approximation degree radially, compatible with the truth that the highest degree approximations (to...

  18. VISCOSITY AND RELAXATION APPROXIMATIONS FOR HYPERBOLIC SYSTEMS OF CONSERVATION LAWS

    E-Print Network [OSTI]

    Tzavaras, Athanasios E.

    VISCOSITY AND RELAXATION APPROXIMATIONS FOR HYPERBOLIC SYSTEMS deal with the approximation of conservation * *laws via viscosity or relaxation. The following topics are covered: The general structure of viscosity and relaxation approximations is discu

  19. Exchange-correlation energy from pairing matrix fluctuation and the particle-particle random phase approximation

    SciTech Connect (OSTI)

    Aggelen, Helen van [Department of Inorganic and Physical Chemistry, Ghent University, Ghent (Belgium) [Department of Inorganic and Physical Chemistry, Ghent University, Ghent (Belgium); Department of Chemistry, Duke University, Durham, North Carolina 27708 (United States); Yang, Yang [Department of Chemistry, Duke University, Durham, North Carolina 27708 (United States)] [Department of Chemistry, Duke University, Durham, North Carolina 27708 (United States); Yang, Weitao [Department of Chemistry and Department of Physics, Duke University, Durham, North Carolina 27708 (United States)] [Department of Chemistry and Department of Physics, Duke University, Durham, North Carolina 27708 (United States)

    2014-05-14T23:59:59.000Z

    Despite their unmatched success for many applications, commonly used local, semi-local, and hybrid density functionals still face challenges when it comes to describing long-range interactions, static correlation, and electron delocalization. Density functionals of both the occupied and virtual orbitals are able to address these problems. The particle-hole (ph-) Random Phase Approximation (RPA), a functional of occupied and virtual orbitals, has recently known a revival within the density functional theory community. Following up on an idea introduced in our recent communication [H. van Aggelen, Y. Yang, and W. Yang, Phys. Rev. A 88, 030501 (2013)], we formulate more general adiabatic connections for the correlation energy in terms of pairing matrix fluctuations described by the particle-particle (pp-) propagator. With numerical examples of the pp-RPA, the lowest-order approximation to the pp-propagator, we illustrate the potential of density functional approximations based on pairing matrix fluctuations. The pp-RPA is size-extensive, self-interaction free, fully anti-symmetric, describes the strong static correlation limit in H{sub 2}, and eliminates delocalization errors in H{sub 2}{sup +} and other single-bond systems. It gives surprisingly good non-bonded interaction energies – competitive with the ph-RPA – with the correct R{sup ?6} asymptotic decay as a function of the separation R, which we argue is mainly attributable to its correct second-order energy term. While the pp-RPA tends to underestimate absolute correlation energies, it gives good relative energies: much better atomization energies than the ph-RPA, as it has no tendency to underbind, and reaction energies of similar quality. The adiabatic connection in terms of pairing matrix fluctuation paves the way for promising new density functional approximations.

  20. A numerical approximation to distribution function

    E-Print Network [OSTI]

    Tuttle, Keith Allan

    1977-01-01T23:59:59.000Z

    then is to approximate F(Y) numerically. We sub- divide the unit cube Q into N cubes eqch of length h I/N on a n n side. Within each individual subcube Q , we will define an affine approximation to f, W = g(x , . . . , x ), which requires the gradient of 1' ' 'n our... & h/2, k k i + 1/2 2 n k k = 1, 2, . . . , n]. Let f(x) f C [Q ] the space of twice continuously n differentiable functions on Q , and define the auxiliary function g(x) as the tangent to f at x. i + 1 2 for x f Q. . That is, if x I Q i (x) f (x1 2...

  1. Low density microcellular foams

    DOE Patents [OSTI]

    LeMay, James D. (Castro Valley, CA)

    1991-01-01T23:59:59.000Z

    Disclosed is a process of producing microcellular foam which comprises the steps of: (a) selecting a multifunctional epoxy oligomer resin; (b) mixing said epoxy resin with a non-reactive diluent to form a resin-diluent mixture; (c) forming a diluent containing cross-linked epoxy gel from said resin-diluent mixture; (d) replacing said diluent with a solvent therefore; (e) replacing said solvent with liquid carbon dioxide; and (f) vaporizing off said liquid carbon dioxide under supercritical conditions, whereby a foam having a density in the range of 35-150 mg/cc and cell diameters less than about 1 .mu.m is produced. Also disclosed are the foams produced by the process.

  2. Low density microcellular foams

    DOE Patents [OSTI]

    LeMay, James D. (Castro Valley, CA)

    1992-01-01T23:59:59.000Z

    Disclosed is a process of producing microcellular from which comprises the steps of: (a) selecting a multifunctional epoxy oligomer resin; (b) mixing said epoxy resin with a non-reactive diluent to form a resin-diluent mixture; (c) forming a diluent containing cross-linked epoxy gel from said resin-diluent mixture; (d) replacing said diluent with a solvent therefore; (e) replacing said solvent with liquid carbon dioxide; and (f) vaporizing off said liquid carbon dioxide under supercritical conditions, whereby a foam having a density in the range of 35-150 mg/cc and cell diameters less than about 1 .mu.m is produced. Also disclosed are the foams produced by the process.

  3. Density constrained TDHF

    E-Print Network [OSTI]

    Oberacker, V E

    2015-01-01T23:59:59.000Z

    In this manuscript we provide an outline of the numerical methods used in implementing the density constrained time-dependent Hartree-Fock (DC-TDHF) method and provide a few examples of its application to nuclear fusion. In this approach, dynamic microscopic calculations are carried out on a three-dimensional lattice and there are no adjustable parameters, the only input is the Skyrme effective NN interaction. After a review of the DC-TDHF theory and the numerical methods, we present results for heavy-ion potentials $V(R)$, coordinate-dependent mass parameters $M(R)$, and precompound excitation energies $E^{*}(R)$ for a variety of heavy-ion reactions. Using fusion barrier penetrabilities, we calculate total fusion cross sections $\\sigma(E_\\mathrm{c.m.})$ for reactions between both stable and neutron-rich nuclei. We also determine capture cross sections for hot fusion reactions leading to the formation of superheavy elements.

  4. Low density microcellular foams

    DOE Patents [OSTI]

    LeMay, J.D.

    1991-11-19T23:59:59.000Z

    Disclosed is a process of producing microcellular foam which comprises the steps of: (a) selecting a multifunctional epoxy oligomer resin; (b) mixing said epoxy resin with a non-reactive diluent to form a resin-diluent mixture; (c) forming a diluent containing cross-linked epoxy gel from said resin-diluent mixture; (d) replacing said diluent with a solvent therefore; (e) replacing said solvent with liquid carbon dioxide; and (f) vaporizing off said liquid carbon dioxide under supercritical conditions, whereby a foam having a density in the range of 35-150 mg/cc and cell diameters less than about 1 [mu]m is produced. Also disclosed are the foams produced by the process. 8 figures.

  5. Nuclear Energy Density Optimization

    E-Print Network [OSTI]

    M. Kortelainen; T. Lesinski; J. Moré; W. Nazarewicz; J. Sarich; N. Schunck; M. V. Stoitsov; S. Wild

    2010-05-27T23:59:59.000Z

    We carry out state-of-the-art optimization of a nuclear energy density of Skyrme type in the framework of the Hartree-Fock-Bogoliubov (HFB) theory. The particle-hole and particle-particle channels are optimized simultaneously, and the experimental data set includes both spherical and deformed nuclei. The new model-based, derivative-free optimization algorithm used in this work has been found to be significantly better than standard optimization methods in terms of reliability, speed, accuracy, and precision. The resulting parameter set UNEDFpre results in good agreement with experimental masses, radii, and deformations and seems to be free of finite-size instabilities. An estimate of the reliability of the obtained parameterization is given, based on standard statistical methods. We discuss new physics insights offered by the advanced covariance analysis.

  6. Compressed Indexes for Approximate String Matching

    E-Print Network [OSTI]

    Sung, Wing-Kin Ken"

    Compressed Indexes for Approximate String Matching Ho-Leung Chan1 Tak-Wah Lam1, Wing-Kin Sung2 Siu the index space to O(n log n). Huynh et al. [10] and Lam et al. [11] further compressed the index to O,wongss}@comp.nus.edu.sg Abstract. We revisit the problem of indexing a string S[1..n] to support searching all substrings

  7. Approximating spheroid inductive responses using spheres

    SciTech Connect (OSTI)

    Smith, J. Torquil; Morrison, H. Frank

    2003-12-12T23:59:59.000Z

    The response of high permeability ({mu}{sub r} {ge} 50) conductive spheroids of moderate aspect ratios (0.25 to 4) to excitation by uniform magnetic fields in the axial or transverse directions is approximated by the response of spheres of appropriate diameters, of the same conductivity and permeability, with magnitude rescaled based on the differing volumes, D.C. magnetizations, and high frequency limit responses of the spheres and modeled spheroids.

  8. Low density microcellular foams

    DOE Patents [OSTI]

    Aubert, James H. (Albuquerque, NM); Clough, Roger L. (Albuquerque, NM); Curro, John G. (Placitas, NM); Quintana, Carlos A. (Albuquerque, NM); Russick, Edward M. (Albuquerque, NM); Shaw, Montgomery T. (Mansfield Center, CT)

    1987-01-01T23:59:59.000Z

    Low density, microporous polymer foams are provided by a process which comprises forming a solution of polymer and a suitable solvent followed by rapid cooling of the solution to form a phase-separated system and freeze the phase-separated system. The phase-separated system comprises a polymer phase and a solvent phase, each of which is substantially continuous within the other. The morphology of the polymer phase prior to and subsequent to freezing determine the morphology of the resultant foam. Both isotropic and anisotropic foams can be produced. If isotropic foams are produced, the polymer and solvent are tailored such that the solution spontaneously phase-separates prior to the point at which any component freezes. The morphology of the resultant polymer phase determines the morphology of the resultant foam and the morphology of the polymer phase is retained by cooling the system at a rate sufficient to freeze one or both components of the system before a change in morphology can occur. Anisotropic foams are produced by forming a solution of polymer and solvent that will not phase separate prior to freezing of one or both components of the solution. In such a process, the solvent typically freezes before phase separation occurs. The morphology of the resultant frozen two-phase system determines the morphology of the resultant foam. The process involves subjecting the solution to essentially one-dimensional cooling. Means for subjecting such a solvent to one-dimensional cooling are also provided. Foams having a density of less than 0.1 g/cc and a uniform cell size of less than 10 .mu.m and a volume such that the foams have a length greater than 1 cm are provided.

  9. Low density microcellular foams

    DOE Patents [OSTI]

    Aubert, J.H.; Clough, R.L.; Curro, J.G.; Quintana, C.A.; Russick, E.M.; Shaw, M.T.

    1985-10-02T23:59:59.000Z

    Low density, microporous polymer foams are provided by a process which comprises forming a solution of polymer and a suitable solvent followed by rapid cooling of the solution to form a phase-separated system and freeze the phase-separated system. The phase-separated system comprises a polymer phase and a solvent phase, each of which is substantially continuous within the other. The morphology of the polymer phase prior to and subsequent to freezing determine the morphology of the resultant foam. Both isotropic and anisotropic foams can be produced. If isotropic foams are produced, the polymer and solvent are tailored such that the solution spontaneously phase-separates prior to the point at which any component freezes. The morphology of the resultant polymer phase determines the morphology of the reusltant foam and the morphology of the polymer phase is retained by cooling the system at a rate sufficient to freeze one or both components of the system before a change in morphology can occur. Anisotropic foams are produced by forming a solution of polymer and solvent that will not phase separate prior to freezing of one or both components of the solution. In such a process, the solvent typically freezes before phase separation occurs. The morphology of the resultant frozen two-phase system determines the morphology of the resultant foam. The process involves subjecting the solution to essentially one-dimensional cooling. Foams having a density of less than 0.1 g/cc and a uniform cell size of less than 10 ..mu..m and a volume such that the foams have a length greater than 1 cm are provided.

  10. BLOCK DIAGONALLY DOMINANT POSITIVE DEFINITE APPROXIMATE FILTERS AND SMOOTHERS

    E-Print Network [OSTI]

    BLOCK DIAGONALLY DOMINANT POSITIVE DEFINITE APPROXIMATE FILTERS AND SMOOTHERS Running title: BLOCKÆciently small as to preclude the loss of positive de#12;niteness in the approximate equations. Therefore

  11. BLOCK DIAGONALLY DOMINANT POSITIVE DEFINITE APPROXIMATE FILTERS AND SMOOTHERS

    E-Print Network [OSTI]

    BLOCK DIAGONALLY DOMINANT POSITIVE DEFINITE APPROXIMATE FILTERS AND SMOOTHERS Running title: BLOCK the loss of positive definiteness in the approximate equations. Therefore previous analyses have

  12. Verified integrity properties for safe approximate program transformations

    E-Print Network [OSTI]

    Kim, Deokhwan

    Approximate computations (for example, video, audio, and image processing, machine learning, and many scientific computations) have the freedom to generate a range of acceptable results. Approximate program transformations ...

  13. Kernel density estimation of a multidimensional efficiency profile

    E-Print Network [OSTI]

    Anton Poluektov

    2014-11-20T23:59:59.000Z

    Kernel density estimation is a convenient way to estimate the probability density of a distribution given the sample of data points. However, it has certain drawbacks: proper description of the density using narrow kernels needs large data samples, whereas if the kernel width is large, boundaries and narrow structures tend to be smeared. Here, an approach to correct for such effects, is proposed that uses an approximate density to describe narrow structures and boundaries. The approach is shown to be well suited for the description of the efficiency shape over a multidimensional phase space in a typical particle physics analysis. An example is given for the five-dimensional phase space of the $\\Lambda_b^0\\to D^0p\\pi$ decay.

  14. Entangled games are hard to approximate

    E-Print Network [OSTI]

    Julia Kempe; Hirotada Kobayashi; Keiji Matsumoto; Ben Toner; Thomas Vidick

    2007-11-21T23:59:59.000Z

    We establish the first hardness results for the problem of computing the value of one-round games played by a verifier and a team of provers who can share quantum entanglement. In particular, we show that it is NP-hard to approximate within an inverse polynomial the value of a one-round game with (i) quantum verifier and two entangled provers or (ii) classical verifier and three entangled provers. Previously it was not even known if computing the value exactly is NP-hard. We also describe a mathematical conjecture, which, if true, would imply hardness of approximation to within a constant. We start our proof by describing two ways to modify classical multi-prover games to make them resistant to entangled provers. We then show that a strategy for the modified game that uses entanglement can be ``rounded'' to one that does not. The results then follow from classical inapproximability bounds. Our work implies that, unless P=NP, the values of entangled-prover games cannot be computed by semidefinite programs that are polynomial in the size of the verifier's system, a method that has been successful for more restricted quantum games.

  15. Analytic approximate radiation effects due to Bremsstrahlung

    SciTech Connect (OSTI)

    Ben-Zvi I.

    2012-02-01T23:59:59.000Z

    The purpose of this note is to provide analytic approximate expressions that can provide quick estimates of the various effects of the Bremsstrahlung radiation produced relatively low energy electrons, such as the dumping of the beam into the beam stop at the ERL or field emission in superconducting cavities. The purpose of this work is not to replace a dependable calculation or, better yet, a measurement under real conditions, but to provide a quick but approximate estimate for guidance purposes only. These effects include dose to personnel, ozone generation in the air volume exposed to the radiation, hydrogen generation in the beam dump water cooling system and radiation damage to near-by magnets. These expressions can be used for other purposes, but one should note that the electron beam energy range is limited. In these calculations the good range is from about 0.5 MeV to 10 MeV. To help in the application of this note, calculations are presented as a worked out example for the beam dump of the R&D Energy Recovery Linac.

  16. Temperature Power Law of Equilibrium Heavy Particle Density

    E-Print Network [OSTI]

    Sh. Matsumoto; M. Yoshimura

    1999-10-19T23:59:59.000Z

    A standard calculation of the energy density of heavy stable particles that may pair-annihilate into light particles making up thermal medium is performed to second order of coupling, using the technique of thermal field theory. At very low temperatures a power law of temperature is derived for the energy density of the heavy particle. This is in sharp contrast to the exponentially suppressed contribution estimated from the ideal gas distribution function. The result supports a previous dynamical calculation based on the Hartree approximation, and implies that the relic abundance of dark matter particles is enhanced compared to that based on the Boltzmann equation.

  17. Generation of Gaussian Density Fields

    E-Print Network [OSTI]

    Hugo Martel

    2005-07-15T23:59:59.000Z

    This document describes analytical and numerical techniques for the generation of Gaussian density fields, which represent cosmological density perturbations. The mathematical techniques involved in the generation of density harmonics in k-space, the filtering of the density fields, and the normalization of the power spectrum to the measured temperature fluctuations of the Cosmic Microwave Background, are presented in details. These techniques are well-known amongst experts, but the current literature lacks a formal description. I hope that this technical report will prove useful to new researchers moving into this field, sparing them the task of reinventing the wheel.

  18. Minimization of Fractional Power Densities

    E-Print Network [OSTI]

    Minimization of Fractional Power Densities. Robert Hardt, Rice University. Abstract: A k dimensional rectifiable current is given by an oriented k dimensional

  19. Canonical density matrix perturbation theory

    E-Print Network [OSTI]

    Niklasson, Anders M N; Rubensson, Emanuel H; Rudberg, Elias

    2015-01-01T23:59:59.000Z

    Density matrix perturbation theory [Niklasson and Challacombe, Phys. Rev. Lett. 92, 193001 (2004)] is generalized to canonical (NVT) free energy ensembles in tight-binding, Hartree-Fock or Kohn-Sham density functional theory. The canonical density matrix perturbation theory can be used to calculate temperature dependent response properties from the coupled perturbed self-consistent field equations as in density functional perturbation theory. The method is well suited to take advantage of sparse matrix algebra to achieve linear scaling complexity in the computational cost as a function of system size for sufficiently large non-metallic materials and metals at high temperatures.

  20. Density matrix renormalization group and wave function factorization for nuclei

    E-Print Network [OSTI]

    T. Papenbrock; D. J. Dean

    2005-07-15T23:59:59.000Z

    We employ the density matrix renormalization group (DMRG) and the wave function factorization method for the numerical solution of large scale nuclear structure problems. The DMRG exhibits an improved convergence for problems with realistic interactions due to the implementation of the finite algorithm. The wave function factorization of fpg-shell nuclei yields rapidly converging approximations that are at the present frontier for large-scale shell model calculations.

  1. Conductivity Recovery from One Component of the Current Density

    E-Print Network [OSTI]

    Carlos Montalto

    2014-08-02T23:59:59.000Z

    We prove global injectivity and H\\"older stability in the reconstruction of an isotopic conductivity in the electrostatic approximation of Maxwell's equations, from the information of one voltage at the boundary and one (well chosen) component of the current density. We study the full and partial data problem. We work under the assumption that the voltage potential has no critical points inside the domain.

  2. Detecting Density Variations and Nanovoids

    SciTech Connect (OSTI)

    Miller, Michael K [ORNL; Longstreth-Spoor, L. [Washington University, St. Louis; Kelton, K. F. [Washington University, St. Louis

    2011-01-01T23:59:59.000Z

    A combination of simulated and experimental data has been used to investigate the size range of nanovoids that can be detected in atom probe tomography data. Simulated atom probe tomography data have revealed that nanovoids as small as 1 nm in diameter can be detected in atom probe tomography data with the use of iso-density surfaces. Iso-density surfaces may be used to quantify the size, morphology and number density of nanovoids and other variations in density in atom probe tomography data. Experimental data from an aluminum-yttrium-iron metallic glass ribbon have revealed the effectiveness of this approach. Combining iso-density surfaces with atom maps also permits the segregation of solute to the nanovoids to be investigated. Field ion microscopy and thin section atom maps have also been used to detect pores and larger voids.

  3. VISCOSITY AND RELAXATION APPROXIMATIONS FOR HYPERBOLIC SYSTEMS OF CONSERVATION LAWS

    E-Print Network [OSTI]

    Tzavaras, Athanasios E.

    VISCOSITY AND RELAXATION APPROXIMATIONS FOR HYPERBOLIC SYSTEMS OF CONSERVATION LAWS Athanasios E. Tzavaras Abstract. These lecture notes deal with the approximation of conservation laws via viscosity or relaxation. The following topics are covered: The general structure of viscosity and relaxation

  4. Adaptive approximation of higher order posterior statistics

    SciTech Connect (OSTI)

    Lee, Wonjung, E-mail: leew@maths.ox.ac.uk

    2014-02-01T23:59:59.000Z

    Filtering is an approach for incorporating observed data into time-evolving systems. Instead of a family of Dirac delta masses that is widely used in Monte Carlo methods, we here use the Wiener chaos expansion for the parametrization of the conditioned probability distribution to solve the nonlinear filtering problem. The Wiener chaos expansion is not the best method for uncertainty propagation without observations. Nevertheless, the projection of the system variables in a fixed polynomial basis spanning the probability space might be a competitive representation in the presence of relatively frequent observations because the Wiener chaos approach not only leads to an accurate and efficient prediction for short time uncertainty quantification, but it also allows to apply several data assimilation methods that can be used to yield a better approximate filtering solution. The aim of the present paper is to investigate this hypothesis. We answer in the affirmative for the (stochastic) Lorenz-63 system based on numerical simulations in which the uncertainty quantification method and the data assimilation method are adaptively selected by whether the dynamics is driven by Brownian motion and the near-Gaussianity of the measure to be updated, respectively.

  5. Regular Type III and Type N Approximate Solutions

    E-Print Network [OSTI]

    Philip Downes; Paul MacAllevey; Bogdan Nita; Ivor Robinson

    2001-05-18T23:59:59.000Z

    New type III and type N approximate solutions which are regular in the linear approximation are shown to exist. For that, we use complex transformations on self-dual Robinson-Trautman metrics rather then the classical approach. The regularity criterion is the boundedness and vanishing at infinity of a scalar obtained by saturating the Bel-Robinson tensor of the first approximation by a time-like vector which is constant with respect to the zeroth approximation.

  6. Optimization Online - Approximation of rank function and its ...

    E-Print Network [OSTI]

    shujun Bi

    2011-07-10T23:59:59.000Z

    Jul 10, 2011 ... Particularly, with two families of approximation functions, we ... Citation: Department of Mathematics, South China University of Technology, ...

  7. BUILDING SURROGATE MODELS BASED ON DETAILED AND APPROXIMATE SIMULATIONS

    E-Print Network [OSTI]

    Seepersad, Carolyn Conner

    - Page 1 - BUILDING SURROGATE MODELS BASED ON DETAILED AND APPROXIMATE SIMULATIONS Zhiguang Qian is taken to integrate data from approximate and detailed simulations to build a surrogate model approximate simulations form the bulk of the data, and they are used to build a model based on a Gaussian

  8. Smoluchowski-Kramers approximation in the case of variable friction

    E-Print Network [OSTI]

    Mark Freidlin; Wenqing Hu

    2012-03-03T23:59:59.000Z

    We consider the small mass asymptotics (Smoluchowski-Kramers approximation) for the Langevin equation with a variable friction coefficient. The limit of the solution in the classical sense does not exist in this case. We study a modification of the Smoluchowski-Kramers approximation. Some applications of the Smoluchowski-Kramers approximation to problems with fast oscillating or discontinuous coefficients are considered.

  9. Technical Note Variational free energy and the Laplace approximation

    E-Print Network [OSTI]

    Daunizeau, Jean

    Technical Note Variational free energy and the Laplace approximation Karl Friston,a, Jérémie October 2006 This note derives the variational free energy under the Laplace approximation, with a focus. This is relevant when using the free energy as an approximation to the log-evidence in Bayesian model averaging

  10. Viscosity and Relaxation Approximation for Hyperbolic Systems of Conservation Laws

    E-Print Network [OSTI]

    Tzavaras, Athanasios E.

    Viscosity and Relaxation Approximation for Hyperbolic Systems of Conservation Laws Athanasios E with the approximation of conservation laws via viscosity or relaxation. The following topics are covered: The general structure of viscosity and relaxation approximations is discussed, as suggested by the second law

  11. Modulated power-law behaviour in Stirling's approximation

    E-Print Network [OSTI]

    Hatton, Les

    Modulated power-law behaviour in Stirling's approximation Les Hatton CISM, University of Kingston. This argument used Stirling's approximation which limits its relevance to larger component sizes. Although power to broaden Stirling's approximation to see if it corresponds with the departures from power-law observed

  12. Density Functional Resonance Theory of Unbound Electronic Systems

    E-Print Network [OSTI]

    Daniel L. Whitenack; Adam Wasserman

    2011-06-20T23:59:59.000Z

    Density Functional Resonance Theory (DFRT) is a complex-scaled version of ground-state Density Functional Theory (DFT) that allows one to calculate the resonance energies and lifetimes of metastable anions. In this formalism, the exact energy and lifetime of the lowest-energy resonance of unbound systems is encoded into a complex "density" that can be obtained via complex-coordinate scaling. This complex density is used as the primary variable in a DFRT calculation just as the ground-state density would be used as the primary variable in DFT. As in DFT, there exists a mapping of the N-electron interacting system to a Kohn-Sham system of N non-interacting particles in DFRT. This mapping facilitates self consistent calculations with an initial guess for the complex density, as illustrated with an exactly-solvable model system. Whereas DFRT yields in principle the exact resonance energy and lifetime of the interacting system, we find that neglecting the complex-correlation contribution leads to errors of similar magnitude to those of standard scattering close-coupling calculations under the bound-state approximation.

  13. Densities and energies of nuclei in dilute matter

    E-Print Network [OSTI]

    P. Papakonstantinou; J. Margueron; F. Gulminelli; Ad. R. Raduta

    2013-05-01T23:59:59.000Z

    We explore the ground-state properties of nuclear clusters embedded in a gas of nucleons with the help of Skyrme-Hartree-Fock microscopic calculations. Two alternative representations of clusters are introduced, namely coordinate-space and energy-space clusters. We parameterize their density profiles in spherical symmetry in terms of basic properties of the energy density functionals used and propose an analytical, Woods-Saxon density profile whose parameters depend, not only on the composition of the cluster, but also of the nucleon gas. We study the clusters' energies with the help of the local-density approximation, validated through our microscopic results. We find that the volume energies of coordinate-space clusters are determined by the saturation properties of matter, while the surface energies are strongly affected by the presence of the gas. We conclude that both the density profiles and the cluster energies are strongly affected by the gas and discuss implications for the nuclear EoS and related perspectives. Our study provides a simple, but microscopically motivated modeling of the energetics of clusterized matter at subsaturation densities, for direct use in consequential applications of astrophysical interest.

  14. Communication: Self-interaction correction with unitary invariance in density functional theory

    SciTech Connect (OSTI)

    Pederson, Mark R., E-mail: mark.pederson@science.doe.gov [Office of Basic Energy Sciences, SC22.1, U.S. Department of Energy, Washington, DC 20585 (United States); Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Ruzsinszky, Adrienn [Department of Physics, Temple University, Philadelphia, Pennsylvania 19122 (United States)] [Department of Physics, Temple University, Philadelphia, Pennsylvania 19122 (United States); Perdew, John P. [Department of Physics, Temple University, Philadelphia, Pennsylvania 19122 (United States) [Department of Physics, Temple University, Philadelphia, Pennsylvania 19122 (United States); Department of Chemistry, Temple University, Philadelphia, Pennsylvania 19122 (United States)

    2014-03-28T23:59:59.000Z

    Standard spin-density functionals for the exchange-correlation energy of a many-electron ground state make serious self-interaction errors which can be corrected by the Perdew-Zunger self-interaction correction (SIC). We propose a size-extensive construction of SIC orbitals which, unlike earlier constructions, makes SIC computationally efficient, and a true spin-density functional. The SIC orbitals are constructed from a unitary transformation that is explicitly dependent on the non-interacting one-particle density matrix. When this SIC is applied to the local spin-density approximation, improvements are found for the atomization energies of molecules.

  15. Bond selective chemistry beyond the adiabatic approximation

    SciTech Connect (OSTI)

    Butler, L.J. [Univ. of Chicago, IL (United States)

    1993-12-01T23:59:59.000Z

    One of the most important challenges in chemistry is to develop predictive ability for the branching between energetically allowed chemical reaction pathways. Such predictive capability, coupled with a fundamental understanding of the important molecular interactions, is essential to the development and utilization of new fuels and the design of efficient combustion processes. Existing transition state and exact quantum theories successfully predict the branching between available product channels for systems in which each reaction coordinate can be adequately described by different paths along a single adiabatic potential energy surface. In particular, unimolecular dissociation following thermal, infrared multiphoton, or overtone excitation in the ground state yields a branching between energetically allowed product channels which can be successfully predicted by the application of statistical theories, i.e. the weakest bond breaks. (The predictions are particularly good for competing reactions in which when there is no saddle point along the reaction coordinates, as in simple bond fission reactions.) The predicted lack of bond selectivity results from the assumption of rapid internal vibrational energy redistribution and the implicit use of a single adiabatic Born-Oppenheimer potential energy surface for the reaction. However, the adiabatic approximation is not valid for the reaction of a wide variety of energetic materials and organic fuels; coupling between the electronic states of the reacting species play a a key role in determining the selectivity of the chemical reactions induced. The work described below investigated the central role played by coupling between electronic states in polyatomic molecules in determining the selective branching between energetically allowed fragmentation pathways in two key systems.

  16. Low density metal hydride foams

    DOE Patents [OSTI]

    Maienschein, Jon L. (Oakland, CA); Barry, Patrick E. (Pleasant Hill, CA)

    1991-01-01T23:59:59.000Z

    Disclosed is a low density foam having a porosity of from 0 to 98% and a density less than about 0.67 gm/cc, prepared by heating a mixture of powered lithium hydride and beryllium hydride in an inert atmosphere at a temperature ranging from about 455 to about 490 K for a period of time sufficient to cause foaming of said mixture, and cooling the foam thus produced. Also disclosed is the process of making the foam.

  17. Maximum-likelihood density modification

    SciTech Connect (OSTI)

    Terwilliger, Thomas C., E-mail: terwilliger@lanl.gov [Structural Biology Group, Mail Stop M888, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

    2000-08-01T23:59:59.000Z

    A likelihood-based density modification approach is developed that can incorporate expected electron-density information from a wide variety of sources. A likelihood-based approach to density modification is developed that can be applied to a wide variety of cases where some information about the electron density at various points in the unit cell is available. The key to the approach consists of developing likelihood functions that represent the probability that a particular value of electron density is consistent with prior expectations for the electron density at that point in the unit cell. These likelihood functions are then combined with likelihood functions based on experimental observations and with others containing any prior knowledge about structure factors to form a combined likelihood function for each structure factor. A simple and general approach to maximizing the combined likelihood function is developed. It is found that this likelihood-based approach yields greater phase improvement in model and real test cases than either conventional solvent flattening and histogram matching or a recent reciprocal-space solvent-flattening procedure [Terwilliger (1999 ?), Acta Cryst. D55, 1863–1871].

  18. Upgrading of biorenewables to high energy density fuels

    SciTech Connect (OSTI)

    Gordon, John C [Los Alamos National Laboratory; Batista, Enrique R [Los Alamos National Laboratory; Chen, Weizhong [Los Alamos National Laboratory; Currier, Robert P [Los Alamos National Laboratory; Dirmyer, Matthew R [Los Alamos National Laboratory; John, Kevin D [Los Alamos National Laboratory; Kim, Jin K [Los Alamos National Laboratory; Keith, Jason [Los Alamos National Laboratory; Martin, Richard L [Los Alamos National Laboratory; Pierpont, Aaron W [Los Alamos National Laboratory; Silks Ill, L. A. "" Pete [Los Alamos National Laboratory; Smythe, Mathan C [Los Alamos National Laboratory; Sutton, Andrew D [Los Alamos National Laboratory; Taw, Felicia L [Los Alamos National Laboratory; Trovitch, Ryan J [Los Alamos National Laboratory; Vasudevan, Kalyan V [Los Alamos National Laboratory; Waidmann, Christopher R [Los Alamos National Laboratory; Wu, Ruilian [Los Alamos National Laboratory; Baker, R. Thomas [UNIV OF OTTAWWA; Schlaf, Marcel [UNIV OF GUELPH

    2010-12-07T23:59:59.000Z

    According to a recent report, lignocellulose is the most abundant renewable biological resource on earth, with an annual production of {approx} 200 x 10{sup 9} tons. Conversion of lignocellulosics derived from wood, agricultural wastes, and woody grasses into liquid fuels and value-added chemical feedstocks is an active area of research that has seen an explosion of effort due to the need to replace petroleum based sources. The carbohydrates D-glucose (C{sub 6}), L-arabinose (C{sub 5}), and D-xylose (C{sub 5}) are readily obtained from the hydrolysis of lignocellulose and constitute the most abundant renewable organic carbon source on the planet. Because they are naturally produced on such a large scale, these sugars have the greatest potential to displace petrochemical derived transportation fuel. Recent efforts in our laboratories aimed towards the production of high energy density transportation fuels from carbohydrates have been structured around the parameters of selective carbohydrate carbon chain extension chemistries, low reaction temperatures, and the desired use of water or neat substrate as the solvent. Some of our efforts in this regard will be presented.

  19. Spatially-discretized high-temperature approximations and theirO(N) implementation on a grid

    SciTech Connect (OSTI)

    Predescu, Cristian

    2006-10-01T23:59:59.000Z

    We consider the problem of performing imaginary-time propagation of wavefunctions on a grid. We demonstrate that spatially-continuous high-temperature approximations can be discretized in such a way that their convergence order is preserved. Requirements of minimal computational work and reutilization of data then uniquely determine the optimal grid, quadrature technique, and propagation method. It is shown that the optimal propagation technique is O(N) with respect to the grid size. The grid technique is utilized to compare the Monte Carlo efficiency of the Trotter-Suzuki approximation against a recently introduced fourth-order high-temperature approximation, while circumventing the issue of statistical noise, which usually prevents such comparisons from being carried out. We document the appearance of a systematic bias in the Monte Carlo estimators that involve temperature differentiation of the density matrix, bias that is due to the dependence of the eigenvalues on the inverse temperature. This bias is negotiated more successfully by the short-time approximations having higher convergence order, leading to non-trivial computational savings.

  20. Cosmic density and velocity fields in Lagrangian perturbation theory

    E-Print Network [OSTI]

    Mikel Susperregi; Thomas Buchert

    1997-08-04T23:59:59.000Z

    A first- and second-order relation between cosmic density and peculiar-velocity fields is presented. The calculation is purely Lagrangian and it is derived using the second-order solutions of the Lagrange-Newton system obtained by Buchert & Ehlers. The procedure is applied to two particular solutions given generic initial conditions. In this approach, the continuity equation yields a relation between the over-density and peculiar-velocity fields that automatically satisfies Euler's equation because the orbits are derived from the Lagrange-Newton system. This scheme generalizes some results obtained by Nusser et al. (1991) in the context of the Zel'dovich approximation. As opposed to several other reconstruction schemes, in this approach it is not necessary to truncate the expansion of the Jacobian given by the continuity equation in order to calculate a first- or second-order expression for the density field. In these previous schemes, the density contrast given by (a) the continuity equation and (b) Euler's equation are mutually incompatible. This inconsistency arises as a consequence of an improper handling of Lagrangian and Eulerian coordinates in the analysis. Here, we take into account the fact that an exact calculation of the density is feasible in the Lagrangian picture and therefore an accurate and consistent description is obtained.

  1. General relativistic corrections to $N$-body simulations and the Zel'dovich approximation

    E-Print Network [OSTI]

    Fidler, Christian; Tram, Thomas; Crittenden, Robert; Koyama, Kazuya; Wands, David

    2015-01-01T23:59:59.000Z

    The initial conditions for $N$-body simulations are usually generated by applying the Zel'dovich approximation to the initial displacements of the particles using an initial power spectrum of density fluctuations generated by an Einstein-Boltzmann solver. We show that the initial displacements generated in this way generally receive a first-order relativistic correction. We define a new gauge, the $N$-body gauge, in which this relativistic correction is absent and show that a conventional Newtonian $N$-body simulation includes all first-order relativistic contributions if we identify the coordinates in Newtonian simulations with those in the $N$-body gauge.

  2. Intercrystalline density on nanocrystalline nickel

    SciTech Connect (OSTI)

    Haasz, T.R.; Aust, K.T. [Univ. of Toronto, Ontario (Canada). Dept. of Metallurgy and Materials Science] [Univ. of Toronto, Ontario (Canada). Dept. of Metallurgy and Materials Science; Palumbo, G. [Ontario Hydro Research Div., Toronto, Ontario (Canada)] [Ontario Hydro Research Div., Toronto, Ontario (Canada); El-Sherik, A.M.; Erb, U. [Queen`s Univ., Kingston, Ontario (Canada). Dept. of Materials and Metallurgical Engineering] [Queen`s Univ., Kingston, Ontario (Canada). Dept. of Materials and Metallurgical Engineering

    1995-02-01T23:59:59.000Z

    Most methods currently available for the synthesis of nanostructured materials result in considerable residual porosity. Studies concerned with the novel structures and properties of these materials are thus compromised by the intrinsically high levels of porosity. As recently shown by Kristic et al., porosity can have a significant effect on fundamental materials properties such as Young`s modulus. One of the most promising techniques for the production of fully dense nanocrystalline materials is electrodeposition. In the present work, the residual porosity and density of nanostructured nickel produced by the electrodeposition method is assessed and discussed in light of the intrinsic intercrystalline density of nickel.

  3. Density distribution for the molecules of a liquid in a semi-infinite space

    E-Print Network [OSTI]

    V. Molinari; B. D. Ganapol; D. Mostacci

    2015-03-04T23:59:59.000Z

    The Sutherland approximation to the van der Waals forces is applied to the derivation of a self-consistent Vlasov-type field in a liquid filling a half space, bordering vacuum. The ensuing Vlasov equation is then derived, and solved to predict the behavior of the density at and in the vicinity of the liquid-vacuum interface. A numerical solution to the Vlasov equation is also produced and the density profile shown and discussed.

  4. approximately constrained elastic: Topics by E-print Network

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

    systems. The method approximates the distribution of the system state using a finite number of particles. By expressing these particles in terms of the control variables, we are...

  5. approximate distributed dynamic: Topics by E-print Network

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

    2 The Relation between Approximation in Distribution and Shadowing in Molecular Dynamics Mathematics Websites Summary: analysis is to explain the apparent reliabil- ity of...

  6. approximate dynamic programming: Topics by E-print Network

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

    STOCK Paris-Sud XI, Universit de 10 Approximate dynamic programming using model-free Bellman Residual Elimination MIT - DSpace Summary: This paper presents an...

  7. Approximating K-means-type clustering via semidefinite programming

    E-Print Network [OSTI]

    Jiming Peng

    2005-04-22T23:59:59.000Z

    Apr 22, 2005 ... Approximating K-means-type clustering via semidefinite ... Abstract: One of the fundamental clustering problems is to assign $n$ points into $k$ ...

  8. Outcome-Space Outer Approximation Algorithm for Linear ...

    E-Print Network [OSTI]

    2007-07-20T23:59:59.000Z

    Jul 20, 2007 ... This paper presents an outcome-space outer approximation algo- rithm for globally solving the linear multiplicative programming prob- lem.

  9. approximate analytical structural: Topics by E-print Network

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

    developed method has been extended to a nonlocal equation arising in steady water wave propagation in two dimensions. We obtain analyic approximation of steady water wave...

  10. Finding approximately rank-one submatrices with the nuclear norm ...

    E-Print Network [OSTI]

    2010-11-08T23:59:59.000Z

    We propose a convex optimization formulation with the nuclear norm and l1-norm to find a large approximately rank-one submatrix of a given nonnegative matrix ...

  11. Finding approximately rank-one submatrices with the nuclear norm ...

    E-Print Network [OSTI]

    Xuan Vinh Doan

    2010-11-08T23:59:59.000Z

    Nov 8, 2010 ... Abstract: We propose a convex optimization formulation with the nuclear norm and $\\ell_1$-norm to find a large approximately rank-one ...

  12. aerodynamic response approximation: Topics by E-print Network

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

    Page Topic Index 1 Managing Approximate Models in Evolutionary Aerodynamic Design Optimization Computer Technologies and Information Sciences Websites Summary: algorithm to a...

  13. approximate entropy based: Topics by E-print Network

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

    equation (1) nt + div n n Jngel, Ansgar 7 Regularization with Approximated L2 Maximum Entropy Method Physics Websites Summary: of a generalized moment of defined...

  14. approximate block newton: Topics by E-print Network

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

    Abstract An extended product-form approximation, based on the principle of maximum entropy (ME), is characterised Ould-Khaoua, Mohamed 28 Low-lying dipole response...

  15. ON LEAST SQUARES EUCLIDEAN DISTANCE MATRIX APPROXIMATION AND COMPLETION

    E-Print Network [OSTI]

    in biological or engineering applications, including molecular structure analysis, protein folding problem. distance geometry, least squares approximation, matrix completion, molecular structure, protein folding

  16. ON LEAST SQUARES EUCLIDEAN DISTANCE MATRIX APPROXIMATION AND COMPLETION

    E-Print Network [OSTI]

    in biological or engineering applications, including molecular structure analysis, protein folding problem approximation, matrix completion, molecular structure, protein folding, conformational analysis. 1. Introduction

  17. Statistical density modification using local pattern matching

    SciTech Connect (OSTI)

    Terwilliger, Thomas C.

    2007-01-23T23:59:59.000Z

    A computer implemented method modifies an experimental electron density map. A set of selected known experimental and model electron density maps is provided and standard templates of electron density are created from the selected experimental and model electron density maps by clustering and averaging values of electron density in a spherical region about each point in a grid that defines each selected known experimental and model electron density maps. Histograms are also created from the selected experimental and model electron density maps that relate the value of electron density at the center of each of the spherical regions to a correlation coefficient of a density surrounding each corresponding grid point in each one of the standard templates. The standard templates and the histograms are applied to grid points on the experimental electron density map to form new estimates of electron density at each grid point in the experimental electron density map.

  18. An Approximate Inference Approach to Temporal Optimization in Optimal Control

    E-Print Network [OSTI]

    Vijayakumar, Sethu

    on iterative local approximations present a practical approach to optimal control in robotic systems. However the optimal control framework. The proposed approach, which is applicable to plants with non-linear dynamicsAn Approximate Inference Approach to Temporal Optimization in Optimal Control Konrad C. Rawlik

  19. THE DIFFUSION APPROXIMATION FOR THE LINEAR BOLTZMANN EQUATION

    E-Print Network [OSTI]

    THE DIFFUSION APPROXIMATION FOR THE LINEAR BOLTZMANN EQUATION WITH VANISHING SCATTERING COEFFICIENT equation, Diffusion approximation, Neutron transport equation, Radiative transfer equation subject, 23], neutron transport theory [27]. A typical model linear Boltzmann equation is (t +· x)f(t,x,)= 1

  20. Uncertainty, Performance, and Model Dependency in Approximate Adaptive Nonlinear Control

    E-Print Network [OSTI]

    Szepesvari, Csaba

    Uncertainty, Performance, and Model Dependency in Approximate Adaptive Nonlinear Control M. French, and the performance of a class of approximate model based adaptive controllers is studied. An upper performance bound uncertainty model; control effort bounds require both L 2 and L 1 uncertainty models), and various structural

  1. Technical Note Variational free energy and the Laplace approximation

    E-Print Network [OSTI]

    Penny, Will

    Technical Note Variational free energy and the Laplace approximation Karl Friston,a, Jérémie the variational free energy under the Laplace approximation, with a focus on accounting for additional model complexity induced by increasing the number of model parameters. This is relevant when using the free energy

  2. Energy Content of Colliding Plane Waves using Approximate Noether Symmetries

    E-Print Network [OSTI]

    M. Sharif; Saira Waheed

    2011-09-19T23:59:59.000Z

    This paper is devoted to study the energy content of colliding plane waves using approximate Noether symmetries. For this purpose, we use approximate Lie symmetry method of Lagrangian for differential equations. We formulate the first-order perturbed Lagrangian for colliding plane electromagnetic and gravitational waves. It is shown that in both cases, there does not exist

  3. Approximate Dynamic Programming for Networks: Fluid Models and Constraint Reduction

    E-Print Network [OSTI]

    Veatch, Michael H.

    of approximating functions for the differential cost. The first contribution of this paper is identifying new or piece-wise quadratic. Fluid cost has been used to initialize the value iteration algorithm [5Approximate Dynamic Programming for Networks: Fluid Models and Constraint Reduction Michael H

  4. Approximation of Axisymmetric Darcy Flow V.J. Ervin

    E-Print Network [OSTI]

    Ervin, Vincent J.

    approximation of the Darcy equations in an ax- isymmetric domain, subject to axisymmetric data. Rewriting of convergence for the RT and BDM approximations. Key words. axisymmetric flow; Darcy equation, LBB condition AMSApproximation of Axisymmetric Darcy Flow V.J. Ervin Department of Mathematical Sciences Clemson

  5. Parametric Optimization of Artificial Neural Networks for Signal Approximation Applications

    E-Print Network [OSTI]

    Parametric Optimization of Artificial Neural Networks for Signal Approximation Applications J. Lane.thames@gatech.edu randal.abler@gatech.edu dirk.schaefer@me.gatech.edu ABSTRACT Artificial neural networks are used to solve set of configuration parameters for artificial neural networks such that the network's approximation

  6. Pixelcuts: Scalable Approximate Illumination from Many Point Lights

    E-Print Network [OSTI]

    Keinan, Alon

    Pixelcuts: Scalable Approximate Illumination from Many Point Lights Pramook Khungurn, Thatchaphol approximate low-frequency illumination from many point lights. Its running time is O(n+mk) where n is the number of pixels, m is the number of point lights, and k is a constant the user specifies. Our algorithm

  7. L^p Bernstein Inequalities and Radial Basis Function Approximation

    E-Print Network [OSTI]

    Ward, John P.

    2012-10-19T23:59:59.000Z

    proving Bernstein inequalites for the RBF approximants, we will be able to use them to derive corresponding inverse theorems. Direct theorems concerning approximation by RBFs will be the focus of Section 4 3. The abilty of Green’s functions to invert di...

  8. Fresnel approximations for acoustic fields of rectangularly symmetric sources

    E-Print Network [OSTI]

    Mast, T. Douglas

    Fresnel approximations for acoustic fields of rectangularly symmetric sources T. Douglas Masta for determining the acoustic fields of rectangularly symmetric, baffled, time-harmonic sources under the Fresnel. The expressions presented are generalized to three different Fresnel approximations that correspond, respectively

  9. Approximation of Harmonic Maps and Wave Maps Soren Bartels

    E-Print Network [OSTI]

    Bartels, Soeren

    Approximation of Harmonic Maps and Wave Maps S¨oren Bartels Partial differential equations to certain boundary condtions. If X = then critical points u : N are called harmonic maps into N, ·) = u0, tu(0, ·) = v0. To approximate harmonic maps or wave maps we consider a regular triangula- tion

  10. New approximation for free surface flow of groundwater: capillarity correction

    E-Print Network [OSTI]

    Walter, M.Todd

    capillarity correction for free surface groundwater flow as modelled by the Boussinesq equation is re; Shallow flow expansion; Simplified approximation 1. Introduction Groundwater heads in coastal aquifersNew approximation for free surface flow of groundwater: capillarity correction D.-S. Jeng a,*, B

  11. Excitations and benchmark ensemble density functional theory for two electrons

    SciTech Connect (OSTI)

    Pribram-Jones, Aurora; Burke, Kieron [Department of Chemistry, University of California-Irvine, Irvine, California 92697 (United States)] [Department of Chemistry, University of California-Irvine, Irvine, California 92697 (United States); Yang, Zeng-hui; Ullrich, Carsten A. [Department of Physics and Astronomy, University of Missouri, Columbia, Missouri 65211 (United States)] [Department of Physics and Astronomy, University of Missouri, Columbia, Missouri 65211 (United States); Trail, John R.; Needs, Richard J. [Theory of Condensed Matter Group, Cavendish Laboratory, University of Cambridge, Cambridge CB3 0HE (United Kingdom)] [Theory of Condensed Matter Group, Cavendish Laboratory, University of Cambridge, Cambridge CB3 0HE (United Kingdom)

    2014-05-14T23:59:59.000Z

    A new method for extracting ensemble Kohn-Sham potentials from accurate excited state densities is applied to a variety of two-electron systems, exploring the behavior of exact ensemble density functional theory. The issue of separating the Hartree energy and the choice of degenerate eigenstates is explored. A new approximation, spin eigenstate Hartree-exchange, is derived. Exact conditions that are proven include the signs of the correlation energy components and the asymptotic behavior of the potential for small weights of the excited states. Many energy components are given as a function of the weights for two electrons in a one-dimensional flat box, in a box with a large barrier to create charge transfer excitations, in a three-dimensional harmonic well (Hooke's atom), and for the He atom singlet-triplet ensemble, singlet-triplet-singlet ensemble, and triplet bi-ensemble.

  12. Density waves in the shearing sheet I. Swing amplification

    E-Print Network [OSTI]

    B. Fuchs

    2001-03-02T23:59:59.000Z

    The shearing sheet model of a galactic disk is studied anew. The theoretical description of its dynamics is based on three building blocks: Stellar orbits, which are described here in epicyclic approximation, the collisionless Boltzmann equation determining the distribution function of stars in phase space, and the Poisson equation in order to take account of the self-gravity of the disk. Using these tools I develop a new formalism to describe perturbations of the shearing sheet. Applying this to the unbounded shearing sheet model I demonstrate again how the disturbances of the disk evolve always into `swing amplified' density waves, i.e. spiral-arm like, shearing density enhancements, which grow and decay while the wave crests swing by from leading to trailing orientation. Several examples are given how such `swing amplification' events are incited in the shearing sheet.

  13. Properties of the Boltzmann equation in the classical approximation

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

    Tanji, Naoto; Epelbaum, Thomas; Gelis, Francois; Wu, Bin

    2014-12-01T23:59:59.000Z

    We study the Boltzmann equation with elastic point-like scalar interactions in two different versions of the the classical approximation. Although solving numerically the Boltzmann equation with the unapproximated collision term poses no problem, this allows one to study the effect of the ultraviolet cutoff in these approximations. This cutoff dependence in the classical approximations of the Boltzmann equation is closely related to the non-renormalizability of the classical statistical approximation of the underlying quantum field theory. The kinetic theory setup that we consider here allows one to study in a much simpler way the dependence on the ultraviolet cutoff, since onemore »has also access to the non-approximated result for comparison.« less

  14. Properties of the Boltzmann equation in the classical approximation

    SciTech Connect (OSTI)

    Tanji, Naoto [Nishina Center, RIKEN, Wako (Japan). Theoretical Research Division; Brookhaven National Lab. (BNL), Upton, NY (United States); Epelbaum, Thomas [Institut de Physique Theorique (France); Gelis, Francois [Institut de Physique Theorique (France); Wu, Bin [Institut de Physique Theorique (France)

    2014-12-01T23:59:59.000Z

    We study the Boltzmann equation with elastic point-like scalar interactions in two different versions of the the classical approximation. Although solving numerically the Boltzmann equation with the unapproximated collision term poses no problem, this allows one to study the effect of the ultraviolet cutoff in these approximations. This cutoff dependence in the classical approximations of the Boltzmann equation is closely related to the non-renormalizability of the classical statistical approximation of the underlying quantum field theory. The kinetic theory setup that we consider here allows one to study in a much simpler way the dependence on the ultraviolet cutoff, since one has also access to the non-approximated result for comparison.

  15. Effect of electron density profile on power absorption of high frequency electromagnetic waves in plasma

    SciTech Connect (OSTI)

    Xi Yanbin; Liu Yue [MOE Key Laboratory of Materials Modification by Laser, Electron, and Ion Beams, School of Physics and Optoelectronic Technology, Dalian University of Technology, Dalian 116024 (China)

    2012-07-15T23:59:59.000Z

    Considering different typical electron density profiles, a multi slab approximation model is built up to study the power absorption of broadband (0.75-30 GHz) electromagnetic waves in a partially ionized nonuniform magnetized plasma layer. Based on the model, the power absorption spectra for six cases are numerically calculated and analyzed. It is shown that the absorption strongly depends on the electron density fluctuant profile, the background electron number density, and the collision frequency. A potential optimum profile is also analyzed and studied with some particular parameters.

  16. Progress at the interface of wave-function and density-functional theories

    SciTech Connect (OSTI)

    Gidopoulos, Nikitas I. [ISIS, Rutherford Appleton Laboratory, STFC, Didcot, OX11 0QX, Oxon (United Kingdom)

    2011-04-15T23:59:59.000Z

    The Kohn-Sham (KS) potential of density-functional theory (DFT) emerges as the minimizing effective potential in a variational scheme that does not involve fixing the unknown single-electron density. Using Rayleigh Schroedinger (RS) perturbation theory (PT), we construct ab initio approximations for the energy difference, the minimization of which determines the KS potential directly - thereby bypassing DFT's traditional algorithm to search for the density that minimizes the total energy. From second-order RS PT, we obtain variationally stable energy differences to be minimized, solving the severe problem of variational collapse of orbital-dependent exchange-correlation functionals based on second-order RS PT.

  17. A Density Functional Theory Study of Hydrogen Adsorption in MOF-5 Tim Mueller and Gerbrand Ceder*

    E-Print Network [OSTI]

    Ceder, Gerbrand

    . The effect of the framework on the physical structure and electronic structure of the organic linker initio molecular dynamics in the generalized gradient approximation to density functional theory, and calculations indicate that the sites with the strongest interaction with hydrogen are located near the Zn4O

  18. Updated Axion CDM energy density

    E-Print Network [OSTI]

    Ji-Haeng Huh

    2008-10-08T23:59:59.000Z

    We update cosmological bound on axion model. The contribution from the anharmonic effect and the newly introduced initial overshoot correction are considered. We present an explicit formula for the axion relic density in terms of the QCD scale Lambda_{QCD}, the current quark masses m_q's and the Peccei-Quinn scale F_a, including firstly introduced 1.85 factor which is from the initial overshoot.

  19. Evolution of the angular momentum of protogalaxies from tidal torques: Zel'dovich approximation

    E-Print Network [OSTI]

    Paolo Catelan; Tom Theuns

    1996-04-15T23:59:59.000Z

    The growth of the angular momentum L of protogalaxies induced by tidal torques is reconsidered within the Zel'dovich approximation. We obtain a general expression for the ensemble expectation value of the square of L in terms of the first and second invariant of the inertia tensor of the Lagrangian volume enclosing the protoobject's collapsing mass. We then specialize the formalism to the particular case in which this volume is centered on a peak of the smoothed Gaussian density field and approximated by an isodensity ellipsoid. The result is the appropriate analytical estimate for the rms angular momentum of peaks to be compared against simulations that make use of the Hoffman-Ribak algorithm to set up a constrained density field that contains a peak with given shape. Extending the work of Heavens & Peacock, we calculate the joint probability distribution function for several spin parameters and peak mass M using the distribution of peak shapes, for different initial power spectra. The values of observed specific angular momentum versus mass are well fitted by our theoretical isoprobability contours. In contrast, the observed lower values for the specific angular momentum for ellipticals of the same mass cannot be accounted for within our linear regime investigation, highlighting the importance of strongly non-linear phenomena to explain the spin of such objects.

  20. Gravimeter yields rock density for cavern during operations

    SciTech Connect (OSTI)

    Folle, S.; Rolfs, O. [Kavernen Bau- and Betriebs-GmbH, Hannover (Germany)

    1996-01-22T23:59:59.000Z

    Designing underground cavities and especially planning for caverns in salt formations for storage require investigations of several questions that are posed in this paper. A downhole gravimeter can determine rock density in a natural gas storage cavern while it is in operation or still being solution mined. Operating conditions or solution mining in progress precludes use of a standard density tool during conventional well-logging procedures. Rock density is one of the principal input parameters for rock mechanical investigations in specifying optimum pressure levels in storage caverns. The advantages and disadvantages of the system, as well as of the technical logging procedures, follow. The gravimeter tool: measures rock densities up to approximately 20 m into the formation; logs through casing (independent of a drilling rig); is unaffected by drilling mud; is unaffected by size and variation of caliber. But it also: does not measure continuously; makes logging time-consuming and requires a certain mobilization time; delivers data whose accuracy depends o the homogeneity of the formation or level of information available on the structure in question.

  1. Beyond chemical accuracy: The pseudopotential approximation in diffusion Monte Carlo calculations of the HCP to BCC phase transition in beryllium

    E-Print Network [OSTI]

    Shulenburger, Luke; Desjarlais, M P

    2015-01-01T23:59:59.000Z

    Motivated by the disagreement between recent diffusion Monte Carlo calculations and experiments on the phase transition pressure between the ambient and beta-Sn phases of silicon, we present a study of the HCP to BCC phase transition in beryllium. This lighter element provides an oppor- tunity for directly testing many of the approximations required for calculations on silicon and may suggest a path towards increasing the practical accuracy of diffusion Monte Carlo calculations of solids in general. We demonstrate that the single largest approximation in these calculations is the pseudopotential approximation. After removing this we find excellent agreement with experiment for the ambient HCP phase and results similar to careful calculations using density functional theory for the phase transition pressure.

  2. Rapid chain tracing of polypeptide backbones in electron-density maps

    SciTech Connect (OSTI)

    Terwilliger, Thomas C., E-mail: terwilliger@lanl.gov [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

    2010-03-01T23:59:59.000Z

    A method for rapid chain tracing of polypeptide backbones at moderate resolution is presented. A method for the rapid tracing of polypeptide backbones has been developed. The method creates an approximate chain tracing that is useful for visual evaluation of whether a structure has been solved and for use in scoring the quality of electron-density maps. The essence of the method is to (i) sample candidate C{sup ?} positions at spacings of approximately 0.6 Å along ridgelines of high electron density, (ii) list all possible nonapeptides that satisfy simple geometric and density criteria using these candidate C{sup ?} positions, (iii) score the nonapeptides and choose the highest scoring ones, and (iv) find the longest chains that can be made by connecting nonamers. An indexing and storage scheme that allows a single calculation of most distances and density values is used to speed up the process. The method was applied to 42 density-modified electron-density maps at resolutions from 1.5 to 3.8 Å. A total of 21 428 residues in these maps were traced in 24 CPU min with an overall r.m.s.d. of 1.61 Å for C{sup ?} atoms compared with the known refined structures. The method appears to be suitable for rapid evaluation of electron-density map quality.

  3. Usefulness of bound-state approximations in reaction theory

    SciTech Connect (OSTI)

    Adhikari, S.K.

    1981-08-01T23:59:59.000Z

    A bound-state approximation when applied to certain operators, such as the many-body resolvent operator for a two-body fragmentation channel, in many-body scattering equations, reduces such equations to equivalent two-body scattering equations which are supposed to provide a good description of the underlying physical process. In this paper we test several variants of bound-state approximations in the soluble three-boson Amado model and find that such approximations lead to weak and unacceptable kernels for the equivalent two-body scattering equations and hence to a poor description of the underlying many-body process.

  4. Probability distribution of the vacuum energy density

    SciTech Connect (OSTI)

    Duplancic, Goran; Stefancic, Hrvoje [Theoretical Physics Division, Rudjer Boskovic Institute, P.O. Box 180, HR-10002 Zagreb (Croatia); Glavan, Drazen [Department of Physics, Faculty of Science, University of Zagreb, P.O. Box 331, HR-10002 Zagreb (Croatia)

    2010-12-15T23:59:59.000Z

    As the vacuum state of a quantum field is not an eigenstate of the Hamiltonian density, the vacuum energy density can be represented as a random variable. We present an analytical calculation of the probability distribution of the vacuum energy density for real and complex massless scalar fields in Minkowski space. The obtained probability distributions are broad and the vacuum expectation value of the Hamiltonian density is not fully representative of the vacuum energy density.

  5. Distribution of ion current density on a rotating spherical cap substrate during ion-assisted deposition

    SciTech Connect (OSTI)

    Marushka, Viktor; Zabeida, Oleg, E-mail: oleg.zabeida@polymtl.ca; Martinu, Ludvik [Engineering Physics Department, Polytechnique Montréal, P.O. Box 6079, Downtown station, Montreal, Quebec H3C 3A7 (Canada)

    2014-11-01T23:59:59.000Z

    The uniformity of ion density is critical for applications relying on the ion assisted deposition technique for the fabrication of the high quality thin films. The authors propose and describe here a method allowing one to calculate the ion density distribution on spherical substrate holders under stationary and rotating conditions for different positions of the ion source. The ion beam shape was approximated by a cos{sup n} function, and the ion current density was represented by a function inversely proportional to the distance from the ion source in accordance with our experimental results. As an example, a calculation of the current density distribution on the spherical cap substrate was performed for a broad beam ion source operated with an anode current of 3?A. The authors propose an approach for process optimization with respect to the ion source position and its inclination, in terms of uniformity and absolute value of the ion current density.

  6. Modeling and numerical approximation of two-phase ...

    E-Print Network [OSTI]

    2011-02-09T23:59:59.000Z

    Feb 9, 2011 ... phase incompressible flows with matching or non-matching density. ... The interfacial dynamics of two-phase immiscible fluids have attracted.

  7. Density functional theory study of mercury adsorption on metal surfaces

    SciTech Connect (OSTI)

    Steckel, J.A.

    2008-01-01T23:59:59.000Z

    Density functional theory #1;DFT#2; calculations are used to characterize the interaction of mercury with copper, nickel, palladium, platinum, silver, and gold surfaces. Mercury binds relatively strongly to all the metal surfaces studied, with binding energies up to #3;1 eV for Pt and Pd. DFT calculations underestimate the energy of adsorption with respect to available experimental data. Plane-wave DFT results using the local density approximation and the Perdew-Wang 1991 and Perdew-Burke-Ernzerhof parametrizations of the generalized gradient approximation indicate that binding of mercury at hollow sites is preferred over binding at top or bridge sites. The interaction with mercury in order of increasing reactivity over the six metals studied is Ag #1;Au#1;Cu#1;Ni#1;Pt#1;Pd. Binding is stronger on the #1;001#2; faces of the metal surfaces, where mercury is situated in fourfold hollow sites as opposed to the threefold hollow sites on #1;111#2; faces. In general, mercury adsorption leads to decreases in the work function; adsorbate-induced work function changes are particularly dramatic on Pt.

  8. Affine maps of density matrices

    E-Print Network [OSTI]

    Thomas F. Jordan

    2004-11-21T23:59:59.000Z

    For quantum systems described by finite matrices, linear and affine maps of matrices are shown to provide equivalent descriptions of evolution of density matrices for a subsystem caused by unitary Hamiltonian evolution in a larger system; an affine map can be replaced by a linear map, and a linear map can be replaced by an affine map. There may be significant advantage in using an affine map. The linear map is generally not completely positive, but the linear part of an equivalent affine map can be chosen to be completely positive and related in the simplest possible way to the unitary Hamiltonian evolution in the larger system.

  9. Rock Density | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand Jump to:Ezfeedflag JumpID-f < RAPID‎ |Rippey Jump to: navigation, searchRobbinsDensity At

  10. Approximating the Minimum Spanning Tree Weight in Sublinear Time

    E-Print Network [OSTI]

    Trevisan, Luca

    Approximating the Minimum Spanning Tree Weight in Sublinear Time Bernard Chazelle #3; Ronitt a parameter 0 minimum spanning tree- components algorithm picks O(1=#15; 2 ) vertices in the graph and then grows \\local spanning trees" whose

  11. Approximate dynamic programming with applications in multi-agent systems

    E-Print Network [OSTI]

    Valenti, Mario J. (Mario James), 1976-

    2007-01-01T23:59:59.000Z

    This thesis presents the development and implementation of approximate dynamic programming methods used to manage multi-agent systems. The purpose of this thesis is to develop an architectural framework and theoretical ...

  12. PLASMA Approximate Dynamic Programming finally cracks the locomotive optimization problem

    E-Print Network [OSTI]

    Powell, Warren B.

    PLASMA ­ Approximate Dynamic Programming finally cracks the locomotive optimization problem schedules and new operating policies. PLASMA is currently running at Norfolk Southern for strategic of PLASMA: Each locomotive is modeled individually, making it possible to capture both horsepower

  13. Fast Approximations for Online Scheduling of Outpatient Procedure ...

    E-Print Network [OSTI]

    2014-06-18T23:59:59.000Z

    Jun 18, 2014 ... ? > SmU , any permutation of items to bins that uses the full amount of ... approximation solution value will both tend to cf mU + cv(? ? SmU ).

  14. SPLITTING MANIFOLD APPROXIMATE FIBRATIONS J. L. BRYANT AND P. KIRBY

    E-Print Network [OSTI]

    Aluffi, Paolo

    SPLITTING MANIFOLD APPROXIMATE FIBRATIONS J. L. BRYANT AND P. KIRBY Abstract. Suppose M, embeddings. Partially supported by NSF grant DMS-9626624. 1 #12; 2 J. L. BRYANT AND P. KIRBY 2. Definitions

  15. Numerical Approximations of Stochastic Optimal Stopping and Control Problems 

    E-Print Network [OSTI]

    Siska, David

    2007-01-01T23:59:59.000Z

    We study numerical approximations for the payoff function of the stochastic optimal stopping and control problem. It is known that the payoff function of the optimal stopping and control problem corresponds to the solution ...

  16. Approximate inference : decomposition methods with applications to networks

    E-Print Network [OSTI]

    Jung, Kyomin

    2009-01-01T23:59:59.000Z

    Markov random field (MRF) model provides an elegant probabilistic framework to formulate inter-dependency between a large number of random variables. In this thesis, we present a new approximation algorithm for computing ...

  17. Approximate translation : media, narrative, and experience in urban design

    E-Print Network [OSTI]

    Crisman, Jonathan

    2013-01-01T23:59:59.000Z

    Approximate translation is developed as a design process through which the place-embedded history of an urban environment can be understood, allowing for better design and intervention in that urban environment. Generally, ...

  18. A multiscale approximation algorithm for the cardinality constrained knapsack problem

    E-Print Network [OSTI]

    Krishnan, Bharath Kumar

    2006-01-01T23:59:59.000Z

    I develop a multiscale approximation algorithm for the cardinality constrained knapsack problem. The algorithm consists of three steps: a rounding and reduction step where a hierarchical representation of the problem data ...

  19. Generalized eikonal approximation for strong-field ionization

    E-Print Network [OSTI]

    Vélez, F Cajiao; Kami?ski, J Z

    2015-01-01T23:59:59.000Z

    We develop the eikonal perturbation theory to describe the strong-field ionization by finite laser pulses. This approach in the first order with respect to the binding potential (the so-called generalized eikonal approximation) avoids a singularity at the potential center. Thus, in contrast to the ordinary eikonal approximation, it allows to treat rescattering phenomena in terms of quantum trajectories. We demonstrate how the first Born approximation and its domain of validity follow from eikonal perturbation theory. Using this approach, we study the coherent diffraction patterns in photoelectron energy spectra and their modifications induced by the interaction of photoelectrons with the atomic potential. Along with these first results, we discuss the prospects of using the generalized eikonal approximation to study strong-field ionization from multi-centered atomic systems and to study other strong-field phenomena.

  20. Approximate Associative Memristive Memory for Energy-Efficient GPUs

    E-Print Network [OSTI]

    Liebling, Michael

    Approximate Associative Memristive Memory for Energy-Efficient GPUs Abbas Rahimi, Amirali Ghofrani at the architectural and algorithmic levels. At the hardware level, energy-efficiency techniques that employ voltage

  1. Penumbra Maps: Approximate Soft Shadows in Real-Time

    E-Print Network [OSTI]

    Wyman, Chris

    ;Penumbra Map Assumptions · A hard shadow is a reasonable approximation for a shadow's umbra · Object silhouettes remain constant over light's surface #12;Key Insight · When using a hard shadow as the umbra, all

  2. Shorter Tours by Nicer Ears 7/5-approximation for graphic TSP,

    E-Print Network [OSTI]

    Vygen, Jens

    case called Graphic TSP: approximation ratio 1.5 - (Gharan, Saberi, Singh [2011]) approximation ratio 1, Saberi, Singh [2011]) approximation ratio 1.461 (M¨omke, Svensson [2011]) approximation ratio 1

  3. Approximation of linear partial differential equations on spheres 

    E-Print Network [OSTI]

    Le Gia, Quoc Thong

    2004-09-30T23:59:59.000Z

    Subject: Mathematics iii ABSTRACT Approximation of Linear Partial Di®erential Equations on Spheres. (August 2003) Quoc Thong Le Gia, B.S., University of New South Wales; M.S., Texas A&M University Co{Chairs of Advisory Committee: Dr. Joseph D. Ward Dr... . . . . . . . . . . . . . . . . . 15 II INTERPOLATION ON SPHERES BY DILATED SBFs : : : : 16 A. Approximation theorems . . . . . . . . . . . . . . . . . . . 16 B. Locally supported basis functions on Rn+1 and Sn . . . . . 18 1. Compactly supported strictly positive de¯nite func- tions...

  4. Mean field approximation for noisy delay coupled excitable neurons

    E-Print Network [OSTI]

    Nikola Buric; Dragana Rankovic; Kristina Todorovic; Nebojsa Vasovic

    2010-03-26T23:59:59.000Z

    Mean field approximation of a large collection of FitzHugh-Nagumo excitable neurons with noise and all-to-all coupling with explicit time-delays, modelled by $N\\gg 1$ stochastic delay-differential equations is derived. The resulting approximation contains only two deterministic delay-differential equations but provides excellent predictions concerning the stability and bifurcations of the averaged global variables of the exact large system.

  5. Ensemble density variational methods with self- and ghost-interaction-corrected functionals

    SciTech Connect (OSTI)

    Pastorczak, Ewa [Institute of Applied Radiation Chemistry, Faculty of Chemistry, Lodz University of Technology, ul. Wroblewskiego 15, 93-590 Lodz (Poland)] [Institute of Applied Radiation Chemistry, Faculty of Chemistry, Lodz University of Technology, ul. Wroblewskiego 15, 93-590 Lodz (Poland); Pernal, Katarzyna, E-mail: pernalk@gmail.com [Institute of Physics, Lodz University of Technology, ul. Wolczanska 219, 90-924 Lodz (Poland)] [Institute of Physics, Lodz University of Technology, ul. Wolczanska 219, 90-924 Lodz (Poland)

    2014-05-14T23:59:59.000Z

    Ensemble density functional theory (DFT) offers a way of predicting excited-states energies of atomic and molecular systems without referring to a density response function. Despite a significant theoretical work, practical applications of the proposed approximations have been scarce and they do not allow for a fair judgement of the potential usefulness of ensemble DFT with available functionals. In the paper, we investigate two forms of ensemble density functionals formulated within ensemble DFT framework: the Gross, Oliveira, and Kohn (GOK) functional proposed by Gross et al. [Phys. Rev. A 37, 2809 (1988)] alongside the orbital-dependent eDFT form of the functional introduced by Nagy [J. Phys. B 34, 2363 (2001)] (the acronym eDFT proposed in analogy to eHF – ensemble Hartree-Fock method). Local and semi-local ground-state density functionals are employed in both approaches. Approximate ensemble density functionals contain not only spurious self-interaction but also the so-called ghost-interaction which has no counterpart in the ground-state DFT. We propose how to correct the GOK functional for both kinds of interactions in approximations that go beyond the exact-exchange functional. Numerical applications lead to a conclusion that functionals free of the ghost-interaction by construction, i.e., eDFT, yield much more reliable results than approximate self- and ghost-interaction-corrected GOK functional. Additionally, local density functional corrected for self-interaction employed in the eDFT framework yields excitations energies of the accuracy comparable to that of the uncorrected semi-local eDFT functional.

  6. High density behaviour of nuclear symmetry energy

    E-Print Network [OSTI]

    D. N. Basu; Tapan Mukhopadhyay

    2006-12-27T23:59:59.000Z

    Role of the isospin asymmetry in nuclei and neutron stars, with an emphasis on the density dependence of the nuclear symmetry energy, is discussed. The symmetry energy is obtained using the isoscalar as well as isovector components of the density dependent M3Y effective interaction. The constants of density dependence of the effective interaction are obtained by reproducing the saturation energy per nucleon and the saturation density of spin and isospin symmetric cold infinite nuclear matter. Implications for the density dependence of the symmetry energy in case of a neutron star are discussed, and also possible constraints on the density dependence obtained from finite nuclei are compared.

  7. Laboratory testing of high energy density capacitors for electric vehicles

    SciTech Connect (OSTI)

    Burke, A.F.

    1991-10-01T23:59:59.000Z

    Laboratory tests of advanced, high energy density capacitors in the Battery Test Laboratory of the Idaho National Engineering Laboratory have been performed to investigate their suitability for load-leveling the battery in an electric vehicle. Two types of devices were tested -- 3 V, 70 Farad, spiral wound, carbon-based, single cell devices and 20 V, 3. 5 Farad, mixed-oxide, multi-cell bipolar devices. The energy density of the devices, based on energy stored during charge to the rated voltage, was found to be 1--2 Wh/kg, which agreed well with that claimed by the manufacturers. Constant power discharge tests were performed at power densities up to 1500 W/kg. Discharges at higher power densities could have been performed had equipment been available to maintain constant power during discharges of less than one second. It was found that the capacitance of the devices were rate dependent with the rate dependency of the carbon-based devices being higher than that of the mixed-oxide devices. The resistance of both types of devices were relatively low being 20--30 milliohms. Testing done in the study showed that the advanced high energy density capacitors can be charged and discharged over cycles (PSFUDS) which approximate the duty cycle that would be encountered if the devices are used to load-level the battery in an electric vehicle. Thermal tests of the advanced capacitors in an insulated environment using the PSFUDS cycle showed the devices do not overheat with their temperatures increasing only 4--5{degrees}C for tests that lasted 5--7 hours. 7 refs., 33 figs., 11 tabs.

  8. JAMES E. HANSEN World's Greatest Crime against Humanity and Nature

    E-Print Network [OSTI]

    Hansen, James E.

    , but nuclear energy creates nuclear waste and the danger of a possible accident. All these energies are needed, which utilize more than 99% of the nuclear fuel and can "burn" nuclear waste, will be needed several energies such as the sun and wind, and nuclear power. However, hydropower is limited. Renewable energies

  9. Review: CO(2) Rising: The World's Greatest Environmental Challenge

    E-Print Network [OSTI]

    Anderson, Byron P.

    2009-01-01T23:59:59.000Z

    is Dave, a molecule of calcium carbonate that entered theanother molecule of calcium carbonate. Each tells their own

  10. Question of the Week: What are Your Greatest Energy Concerns...

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

    in a winter coat inside my house all winter. What other options do I have to reduce heat loss in a place that I don't own? Posted by: Kendra | September 10, 2008 at 02:18 PM...

  11. Peer Exchange Calls Inspire New Lessons Learned Greatest Hits | Department

    Energy Savers [EERE]

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are being directed offOCHCO2:Introduction toManagementOPAM5Parabolic Trough Parabolic Troughof Energy Peer Exchange

  12. What the World's GREATEST Energy Managers Do Differently | Department of

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page onYouTube YouTube Note: SinceDevelopment | Department ofPartnerships ToolkitWaste Heatv3) |WelcomeIsWhat IsifWhat

  13. What the World's Greatest Energy Managers Do Differently

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page onYouTube YouTube Note: SinceDevelopment | Department ofPartnerships ToolkitWaste Heatv3) |WelcomeIsWhat IsifWhatthe

  14. Oxides having high energy densities

    DOE Patents [OSTI]

    Ceder, Gerbrand; Kang, Kisuk

    2013-09-10T23:59:59.000Z

    Certain disclosed embodiments generally relate to oxide materials having relatively high energy and/or power densities. Various aspects of the embodiments are directed to oxide materials having a structure B.sub.i(M.sub.jY.sub.k)O.sub.2, for example, a structure Li.sub.j(Ni.sub.jY.sub.k)O.sub.2 such as Li(Ni.sub.0.5Mn.sub.0.5)O.sub.2. In this structure, Y represents one or more atoms, each independently selected from the group consisting of alkaline earth metals, transition metals, Group 14 elements, Group 15, or Group 16 elements. In some embodiments, such an oxide material may have an O3 crystal structure, and/or a layered structure such that the oxide comprises a plurality of first, repeating atomic planes comprising Li, and a plurality of second, repeating atomic planes comprising Ni and/or Y.

  15. Anisotropic Homogeneous Cosmologies in the Post-Newtonian Approximation

    E-Print Network [OSTI]

    Tamath Rainsford

    2000-07-23T23:59:59.000Z

    In this paper we explore how far the post-Newtonian theory goes in overcoming the difficulties associated with anisotropic homogeneous cosmologies in the Newtonian approximation. It will be shown that, unlike in the Newtonian case, the cosmological equations of the post-Newtonian approximation are much more in the spirit of general relativity with regard to the nine Bianchi types and issues of singularities. The situations of vanishing rotation and vanishing shear are treated separately. The homogeneous Bianchi I model is considered as an example of a rotation-free cosmology with anisotropy. It is found in the Newtonian approximation that there are arbitrary functions that need to be given for all time if the initial value problem is to be well-posed, while in the post-Newtonian case there is no such need. For the general case of a perfect fluid only the post-Newtonian theory can satisfactorily describe the effects of pressure. This is in accordance with findings in an earlier paper where the post-Newtonian approximation was applied to homogeneous cosmologies. For a shear-free anisotropic homogeneous cosmology the Newtonian theory of Heckmann and Sch\\"ucking is explored. Comparisons with its relativistic and post-Newtonian counterparts are made. In the Newtonian theory solutions exist to which there are no analogues in general relativity. The post-Newtonian approximation may provide a way out.

  16. Variational principles with Padé approximants for tearing mode analysis

    SciTech Connect (OSTI)

    Cole, Andrew J. [Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York 10027 (United States)] [Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York 10027 (United States); Finn, John M. [Applied Mathematics and Plasma Physics, Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87544 (United States)] [Applied Mathematics and Plasma Physics, Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87544 (United States)

    2014-03-15T23:59:59.000Z

    Tearing modes occur in several distinct physical regimes, and it is often important to compute the inner layer response for these modes with various effects. There is a need for an approximate and efficient method of solving the inner layer equations in all these regimes. In this paper, we introduce a method of solving the inner layer equations based on using a variational principle with Padé approximants. For all the regimes considered, the main layer equations to be solved are inhomogeneous, and Padé approximants give a convenient and efficient method of satisfying the correct asymptotic behavior at the edge of the layer. Results using this variational principle—Padé approximant method in three of these regimes is presented. These regimes are the constant-? resistive-inertial (RI) regime, the constant-? viscoresistive regime, and the non-constant-? inviscid tearing regime. The last regime includes the constant-? RI regime and the inertial regime. The results show that reasonable accuracy can be obtained very efficiently with Padé approximants having a small number of parameters.

  17. Lipoprotein subclass analysis by immunospecific density

    E-Print Network [OSTI]

    Lester, Sandy Marie

    2009-05-15T23:59:59.000Z

    to obtain a lipoprotein density profile in the absence and presence of apo C-1. Density Lipoprotein Profiling (DLP) gives relevant information of lipoproteins, such as density and subclass characterization, and is a novel approach to purify apo C-1-enriched...

  18. Ultimate Energy Densities for Electromagnetic Pulses

    E-Print Network [OSTI]

    Mankei Tsang

    2008-03-06T23:59:59.000Z

    The ultimate electric and magnetic energy densities that can be attained by bandlimited electromagnetic pulses in free space are calculated using an ab initio quantized treatment, and the quantum states of electromagnetic fields that achieve the ultimate energy densities are derived. The ultimate energy densities also provide an experimentally accessible metric for the degree of localization of polychromatic photons.

  19. Jacek Dobaczewski Density functional theory and energy

    E-Print Network [OSTI]

    Dobaczewski, Jacek

    in Poland per voivodship Energy density functional 245 647 Price voivodship functional 654 763 295 580Jacek Dobaczewski Density functional theory and energy density functionals in nuclear physics Jacek://www.fuw.edu.pl/~dobaczew/Stellenbosch/dobaczewski_lecture.pdf Home page: http://www.fuw.edu.pl/~dobaczew/ #12;Jacek Dobaczewski Nuclear Structure Energy scales

  20. The Critical Density and the Effective Excitation Density of Commonly Observed Molecular Dense Gas Tracers

    E-Print Network [OSTI]

    Shirley, Yancy L

    2015-01-01T23:59:59.000Z

    The optically thin critical densities and the effective excitation densities to produce a 1 K km/s (or 0.818 Jy km/s $(\\frac{\

  1. Approximations by gravitational fields due to restricted unit point masses

    E-Print Network [OSTI]

    Shull, Carolyn Sue Flowers

    1973-01-01T23:59:59.000Z

    approximations by Chui (1, 3, 4j and D. J. Newman $12$. Some open problems will be discussed including a conjecture by Chui f2]. I ht th ' th ~Pdl f~hA 1 Mth i I ~gociet is used as a pattern for format, CHAPTER I UNIFORM APPROXIMATION ON COMPACT SETS Let C... free analytic functions in D are not approximable. Also the following result was obtained in fgj . THEOREM 1. 4. A closed set R dis oint from a domain D which lies in som h lf- 1 ne H is ol omial a roximation set relative t b~fl fRt~tbf th I t f3d...

  2. Non-perturbative QCD amplitudes in quenched and eikonal approximations

    SciTech Connect (OSTI)

    Fried, H.M. [Physics Department, Brown University, Providence, RI 02912 (United States); Grandou, T., E-mail: Thierry.Grandou@inln.cnrs.fr [Université de Nice-Sophia Antipolis, Institut Non Linéaire de Nice, UMR 6618 CNRS 7335, 1361 routes des Lucioles, 06560 Valbonne (France); Sheu, Y.-M., E-mail: ymsheu@alumni.brown.edu [Université de Nice-Sophia Antipolis, Institut Non Linéaire de Nice, UMR 6618 CNRS 7335, 1361 routes des Lucioles, 06560 Valbonne (France)

    2014-05-15T23:59:59.000Z

    Even though approximated, strong coupling non-perturbative QCD amplitudes remain very difficult to obtain. In this article, in eikonal and quenched approximations at least, physical insights are presented that rely on the newly-discovered property of effective locality. The present article also provides a more rigorous mathematical basis for the crude approximations used in the previous derivation of the binding potential of quarks and nucleons. Furthermore, the techniques of Random Matrix calculus along with Meijer G-functions are applied to analyze the generic structure of fermionic amplitudes in QCD. - Highlights: • We discuss the physical insight of effective locality to QCD fermionic amplitudes. • We show that an unavoidable delta function goes along with the effective locality property. • The generic structure of QCD fermion amplitudes is obtained through Random Matrix calculus.

  3. Analytical approximations for x-ray cross sections III

    SciTech Connect (OSTI)

    Biggs, F; Lighthill, R

    1988-08-01T23:59:59.000Z

    This report updates our previous work that provided analytical approximations to cross sections for both photoelectric absorption of photons by atoms and incoherent scattering of photons by atoms. This representation is convenient for use in programmable calculators and in computer programs to evaluate these cross sections numerically. The results apply to atoms of atomic numbers between 1 and 100 and for photon energiesgreater than or equal to10 eV. The photoelectric cross sections are again approximated by four-term polynomials in reciprocal powers of the photon energy. There are now more fitting intervals, however, than were used previously. The incoherent-scattering cross sections are based on the Klein-Nishina relation, but use simpler approximate equations for efficient computer evaluation. We describe the averaging scheme for applying these atomic results to any composite material. The fitting coefficients are included in tables, and the cross sections are shown graphically. 100 graphs, 1 tab.

  4. A density-functional study of small titanium clusters Department of Physics, Xiangtan University, Xiangtan 411105, China and Institute of Solid State Physics,

    E-Print Network [OSTI]

    Gong, Xingao

    A density-functional study of small titanium clusters S. H. Wei Department of Physics, Xiangtan-functional theory with a local spin density approximation. We find that the inner-shells (3s3p) of the titanium atom of titanium clusters, Ti7 is found to be a magic cluster, which is in good agreement with the experimental

  5. CONVERGENCE OF DERIVATIVE APPROXIMATIONS IN THE INVERSE CONDUCTIVITY PROBLEM

    E-Print Network [OSTI]

    Wade, Gordon

    ., Bowling Green State University, Bowling Green, OH, 43403­0221 1 #12; CONVERGENCE OF FRECH ' ET DERIVATIVES of steady­state voltage potential and current density at the boundary @\\Omega from one or more (say, m â?? 1

  6. On the approximation of crack shapes found during inservice inspection

    SciTech Connect (OSTI)

    Bhate, S.R.; Chawla, D.S.; Kushwaha, H.S. [Bhabha Atomic Research Centre, Bombay (India)] [and others

    1997-04-01T23:59:59.000Z

    This paper addresses the characterization of axial internal flaw found during inservice inspection of a pipe. J-integral distribution for various flaw shapes is obtained using line spring finite, element method. The peak J-value and its distribution across the crack is found to be characteristic feature of each shape. The triangular shape yields peak J-value away from the center, the point of depth. The elliptic approximation results in large overestimate of J-value for unsymmetric flaws. Triangular approximation is recommended for such flaws so that further service can be obtained from the component.

  7. Perturbative stability of the approximate Killing field eigenvalue problem

    E-Print Network [OSTI]

    Christopher Beetle; Shawn Wilder

    2013-12-31T23:59:59.000Z

    An approximate Killing field may be defined on a compact, Riemannian geometry by solving an eigenvalue problem for a certain elliptic operator. This paper studies the effect of small perturbations in the Riemannian metric on the resulting vector field. It shows that small metric perturbations, as measured using a Sobolev-type supremum norm on the space of Riemannian geometries on a fixed manifold, yield small perturbations in the approximate Killing field, as measured using a Hilbert-type square integral norm. It also discusses applications to the problem of computing the spin of a generic black hole in general relativity.

  8. Dynamical entanglement versus symmetry and dynamics of classical approximations

    SciTech Connect (OSTI)

    Buric, Nikola [Department of Physics and Mathematics, Faculty of Pharmacy, University of Beograd, Vojvode Stepe 450, 11000 Belgrade (Serbia and Montenegro)

    2006-05-15T23:59:59.000Z

    It is shown that dynamical entanglement between two qubits depends on the symmetry of the quantum model. On the other hand, the latter is reflected in the qualitative properties of the dynamics of a classical approximation of the quantum system. For generic separable pure initial states, the dynamical entanglement is larger if the system is less symmetric and its classical approximation is chaotic. The influence of different types of Markov environments on the established relation between the dynamical entanglement, symmetry and the classical dynamics is also studied.

  9. Zero-point energies, the uncertainty principle and positivity of the quantum Brownian density operator

    E-Print Network [OSTI]

    Allan Tameshtit

    2012-04-09T23:59:59.000Z

    High temperature and white noise approximations are frequently invoked when deriving the quantum Brownian equation for an oscillator. Even if this white noise approximation is avoided, it is shown that if the zero point energies of the environment are neglected, as they often are, the resultant equation will violate not only the basic tenet of quantum mechanics that requires the density operator to be positive, but also the uncertainty principle. When the zero-point energies are included, asymptotic results describing the evolution of the oscillator are obtained that preserve positivity and, therefore, the uncertainty principle.

  10. Aerodynamic Focusing Of High-Density Aerosols

    SciTech Connect (OSTI)

    Ruiz, D. E.; Fisch, Nathaniel

    2014-02-24T23:59:59.000Z

    High-density micron-sized particle aerosols might form the basis for a number of applications in which a material target with a particular shape might be quickly ionized to form a cylindrical or sheet shaped plasma. A simple experimental device was built in order to study the properties of high-density aerosol focusing for 1#22; m silica spheres. Preliminary results recover previous findings on aerodynamic focusing at low densities. At higher densities, it is demonstrated that the focusing properties change in a way which is consistent with a density dependent Stokes number.

  11. Statistical density modification using local pattern matching

    SciTech Connect (OSTI)

    Terwilliger, Thomas C., E-mail: terwilliger@lanl.gov [Mail Stop M888, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

    2003-10-01T23:59:59.000Z

    Statistical density modification can make use of local patterns of density found in protein structures to improve crystallographic phases. A method for improving crystallographic phases is presented that is based on the preferential occurrence of certain local patterns of electron density in macromolecular electron-density maps. The method focuses on the relationship between the value of electron density at a point in the map and the pattern of density surrounding this point. Patterns of density that can be superimposed by rotation about the central point are considered equivalent. Standard templates are created from experimental or model electron-density maps by clustering and averaging local patterns of electron density. The clustering is based on correlation coefficients after rotation to maximize the correlation. Experimental or model maps are also used to create histograms relating the value of electron density at the central point to the correlation coefficient of the density surrounding this point with each member of the set of standard patterns. These histograms are then used to estimate the electron density at each point in a new experimental electron-density map using the pattern of electron density at points surrounding that point and the correlation coefficient of this density to each of the set of standard templates, again after rotation to maximize the correlation. The method is strengthened by excluding any information from the point in question from both the templates and the local pattern of density in the calculation. A function based on the origin of the Patterson function is used to remove information about the electron density at the point in question from nearby electron density. This allows an estimation of the electron density at each point in a map, using only information from other points in the process. The resulting estimates of electron density are shown to have errors that are nearly independent of the errors in the original map using model data and templates calculated at a resolution of 2.6 Å. Owing to this independence of errors, information from the new map can be combined in a simple fashion with information from the original map to create an improved map. An iterative phase-improvement process using this approach and other applications of the image-reconstruction method are described and applied to experimental data at resolutions ranging from 2.4 to 2.8 Å.

  12. Stellar electron-capture rates calculated with the finite-temperature relativistic random-phase approximation

    SciTech Connect (OSTI)

    Niu, Y. F. [State Key Laboratory of Nuclear Physics and Technology, School of Physics, Peking University, Beijing 100871 (China); Paar, N.; Vretenar, D. [Physics Department, Faculty of Science, University of Zagreb, Zagreb (Croatia); Meng, J. [School of Physics and Nuclear Energy Engineering, Beihang University, Beijing 100191 (China); State Key Laboratory of Nuclear Physics and Technology, School of Physics, Peking University, Beijing 100871 (China); Department of Physics, University of Stellenbosch, Stellenbosch 7602 (South Africa)

    2011-04-15T23:59:59.000Z

    We introduce a self-consistent microscopic theoretical framework for modeling the process of electron capture on nuclei in stellar environment, based on relativistic energy density functionals. The finite-temperature relativistic mean-field model is used to calculate the single-nucleon basis and the occupation factors in a target nucleus, and J{sup {pi}}=0{sup {+-}}, 1{sup {+-}}, and 2{sup {+-}} charge-exchange transitions are described by the self-consistent finite-temperature relativistic random-phase approximation. Cross sections and rates are calculated for electron capture on {sup 54,56}Fe and {sup 76,78}Ge in stellar environment, and results compared with predictions of similar and complementary model calculations.

  13. Exact PDF equations and closure approximations for advective-reactive transport

    SciTech Connect (OSTI)

    Venturi, D.; Tartakovsky, Daniel M.; Tartakovsky, Alexandre M.; Karniadakis, George E.

    2013-06-01T23:59:59.000Z

    Mathematical models of advection–reaction phenomena rely on advective flow velocity and (bio) chemical reaction rates that are notoriously random. By using functional integral methods, we derive exact evolution equations for the probability density function (PDF) of the state variables of the advection–reaction system in the presence of random transport velocity and random reaction rates with rather arbitrary distributions. These PDF equations are solved analytically for transport with deterministic flow velocity and a linear reaction rate represented mathematically by a heterog eneous and strongly-correlated random field. Our analytical solution is then used to investigate the accuracy and robustness of the recently proposed large-eddy diffusivity (LED) closure approximation [1]. We find that the solution to the LED-based PDF equation, which is exact for uncorrelated reaction rates, is accurate even in the presence of strong correlations and it provides an upper bound of predictive uncertainty.

  14. Approximate treatment of semicore states in GW calculations with application to Au clusters

    SciTech Connect (OSTI)

    Xian, Jiawei [SISSA – Scuola Internazionale Superiore di Studi Avanzati, Via Bonomea 265, I-34136 Trieste (Italy)] [SISSA – Scuola Internazionale Superiore di Studi Avanzati, Via Bonomea 265, I-34136 Trieste (Italy); Baroni, Stefano [SISSA – Scuola Internazionale Superiore di Studi Avanzati, Via Bonomea 265, I-34136 Trieste (Italy) [SISSA – Scuola Internazionale Superiore di Studi Avanzati, Via Bonomea 265, I-34136 Trieste (Italy); CNR-IOM Democritos, Theory-Elettra group, Trieste (Italy); Umari, P., E-mail: paolo.umari@unipd.it [CNR-IOM Democritos, Theory-Elettra group, Trieste (Italy); Dipartimento di Fisica e Astronomia, Università di Padova, Via Marzolo 8, I-35131 Padova (Italy)

    2014-03-28T23:59:59.000Z

    We address the treatment of transition metal atoms in GW electronic-structure calculations within the plane-wave pseudo-potential formalism. The contributions of s and p semi-core electrons to the self-energy, which are essential to grant an acceptable accuracy, are dealt with using a recently proposed scheme whereby the exchange components are treated exactly at the G{sub 0}W{sub 0} level, whereas a suitable approximation to the correlation components is devised. This scheme is benchmarked for small gold nano-clusters, resulting in ionization potentials, electron affinities, and density of states in very good agreement with those obtained from calculations where s and p semicore states are treated as valence orbitals, and allowing us to apply this same scheme to clusters of intermediate size, Au{sub 20} and Au{sub 32}, that would be otherwise very difficult to deal with.

  15. SHOCK EMERGENCE IN SUPERNOVAE: LIMITING CASES AND ACCURATE APPROXIMATIONS

    SciTech Connect (OSTI)

    Ro, Stephen; Matzner, Christopher D. [Department of Astronomy and Astrophysics, University of Toronto, 50 St. George St., Toronto, ON M5S 3H4 (Canada)

    2013-08-10T23:59:59.000Z

    We examine the dynamics of accelerating normal shocks in stratified planar atmospheres, providing accurate fitting formulae for the scaling index relating shock velocity to the initial density and for the post-shock acceleration factor as functions of the polytropic and adiabatic indices which parameterize the problem. In the limit of a uniform initial atmosphere, there are analytical formulae for these quantities. In the opposite limit of a very steep density gradient, the solutions match the outcome of shock acceleration in exponential atmospheres.

  16. Nanoscale density fluctuations in swift heavy ion irradiated amorphous SiO{sub 2}

    SciTech Connect (OSTI)

    Kluth, P.; Giulian, R.; Ridgway, M. C. [Department of Electronic Materials Engineering, Australian National University, Canberra ACT 0200 (Australia); Pakarinen, O. H.; Djurabekova, F.; Nordlund, K. [Department of Physics and Helsinki Institute of Physics, University of Helsinki, Helsinki (Finland); Byrne, A. P. [Department of Nuclear Physics, Australian National University, Canberra ACT 0200 (Australia)

    2011-12-15T23:59:59.000Z

    We report on the observation of nanoscale density fluctuations in 2 {mu}m thick amorphous SiO{sub 2} layers irradiated with 185 MeV Au ions. At high fluences, in excess of approximately 5 x 10{sup 12} ions/cm{sup 2}, where the surface is completely covered by ion tracks, synchrotron small angle x-ray scattering measurements reveal the existence of a steady state of density fluctuations. In agreement with molecular dynamics simulations, this steady state is consistent with an ion track ''annihilation'' process, where high-density regions generated in the periphery of new tracks fill in low-density regions located at the center of existing tracks.

  17. Benchmark tests and spin adaptation for the particle-particle random phase approximation

    SciTech Connect (OSTI)

    Yang, Yang; Steinmann, Stephan N.; Peng, Degao [Department of Chemistry, Duke University, Durham, North Carolina 27708 (United States)] [Department of Chemistry, Duke University, Durham, North Carolina 27708 (United States); Aggelen, Helen van, E-mail: Helen.VanAggelen@UGent.be [Department of Chemistry, Duke University, Durham, North Carolina 27708 (United States); Department of Inorganic and Physical Chemistry, Ghent University, 9000 Ghent (Belgium); Yang, Weitao, E-mail: Weitao.Yang@duke.edu [Department of Chemistry and Department of Physics, Duke University, Durham, North Carolina 27708 (United States)] [Department of Chemistry and Department of Physics, Duke University, Durham, North Carolina 27708 (United States)

    2013-11-07T23:59:59.000Z

    The particle-particle random phase approximation (pp-RPA) provides an approximation to the correlation energy in density functional theory via the adiabatic connection [H. van Aggelen, Y. Yang, and W. Yang, Phys. Rev. A 88, 030501 (2013)]. It has virtually no delocalization error nor static correlation error for single-bond systems. However, with its formal O(N{sup 6}) scaling, the pp-RPA is computationally expensive. In this paper, we implement a spin-separated and spin-adapted pp-RPA algorithm, which reduces the computational cost by a substantial factor. We then perform benchmark tests on the G2/97 enthalpies of formation database, DBH24 reaction barrier database, and four test sets for non-bonded interactions (HB6/04, CT7/04, DI6/04, and WI9/04). For the G2/97 database, the pp-RPA gives a significantly smaller mean absolute error (8.3 kcal/mol) than the direct particle-hole RPA (ph-RPA) (22.7 kcal/mol). Furthermore, the error in the pp-RPA is nearly constant with the number of atoms in a molecule, while the error in the ph-RPA increases. For chemical reactions involving typical organic closed-shell molecules, pp- and ph-RPA both give accurate reaction energies. Similarly, both RPAs perform well for reaction barriers and nonbonded interactions. These results suggest that the pp-RPA gives reliable energies in chemical applications. The adiabatic connection formalism based on pairing matrix fluctuation is therefore expected to lead to widely applicable and accurate density functionals.

  18. Measuring the Density Fluctuation From the Cluster Gas Mass Function

    E-Print Network [OSTI]

    Kazuhiro Shimasaku

    1997-01-27T23:59:59.000Z

    We investigate the gas mass function of clusters of galaxies to measure the density fluctuation spectrum on cluster scales. The baryon abundance confined in rich clusters is computed from the gas mass function and compared with the mean baryon density in the universe which is predicted by the Big Bang Nucleosynthesis. This baryon fraction and the slope of the gas mass function put constraints on $\\sigma_8$, the rms linear fluctuation on scales of $8h^{-1}\\Mpc$, and the slope of the fluctuation spectrum, where $h$ is the Hubble constant in units of 100 $\\kms \\oMpc$. We find $\\sigma_8 = 0.80 \\pm 0.15$ and $n \\sim -1.5$ for $0.5 \\le h \\le 0.8$, where we assume that the density spectrum is approximated by a power law on cluster scales: $\\sigma(r) \\propto r^{-{3+n\\over{2}}}$. Our value of $\\sigma_8$ is independent of the density parameter, $\\Omega_0$, and thus we can estimate $\\Omega_0$ by combining $\\sigma_8$ obtained in this study with those from $\\Omega_0$-dependent analyses to date. We find that $\\sigma_8(\\Omega_0)$ derived from the cluster abundance such as the temperature function gives $\\Omega_0 \\sim 0.5$ while $\\sigma_8(\\Omega_0)$ measured from the peculiar velocity field of galaxies gives $\\Omega_0 \\sim 0.2-1$, depending on the technique used to analyze peculiar velocity data. Constraints are also derived for open, spatially flat, and tilted Cold Dark Matter models and for Cold + Hot Dark Matter models.

  19. Optimal sampling efficiency in Monte Carlo sampling with an approximate potential

    SciTech Connect (OSTI)

    Coe, Joshua D [Los Alamos National Laboratory; Shaw, M Sam [Los Alamos National Laboratory; Sewell, Thomas D [U MISSOURI

    2009-01-01T23:59:59.000Z

    Building on the work of Iftimie et al., Boltzmann sampling of an approximate potential (the 'reference' system) is used to build a Markov chain in the isothermal-isobaric ensemble. At the endpoints of the chain, the energy is evaluated at a higher level of approximation (the 'full' system) and a composite move encompassing all of the intervening steps is accepted on the basis of a modified Metropolis criterion. For reference system chains of sufficient length, consecutive full energies are statistically decorrelated and thus far fewer are required to build ensemble averages with a given variance. Without modifying the original algorithm, however, the maximum reference chain length is too short to decorrelate full configurations without dramatically lowering the acceptance probability of the composite move. This difficulty stems from the fact that the reference and full potentials sample different statistical distributions. By manipulating the thermodynamic variables characterizing the reference system (pressure and temperature, in this case), we maximize the average acceptance probability of composite moves, lengthening significantly the random walk between consecutive full energy evaluations. In this manner, the number of full energy evaluations needed to precisely characterize equilibrium properties is dramatically reduced. The method is applied to a model fluid, but implications for sampling high-dimensional systems with ab initio or density functional theory (DFT) potentials are discussed.

  20. Quantum Correlations of Helicity Entangled States in Non-inertial Frames Beyond Single Mode Approximation

    E-Print Network [OSTI]

    Zeynab Harsij; Behrouz Mirza

    2014-09-24T23:59:59.000Z

    A helicity entangled tripartite state is considered in which the degree of entanglement is preserved in non-inertial frames. It is shown that Quantum Entanglement remains observer independent. As another measure of quantum correlation, Quantum Discord has been investigated. It is explicitly shown that acceleration has no effect on the degree of quantum correlation for the bipartite and tripartite helicity entangled states. Geometric Quantum Discord as a Hilbert-Schmidt distance is computed for helicity entangled states. It is shown that living in non-inertial frames does not make any influence on this distance, either. In addition, the analysis has been extended beyond single mode approximation to show that acceleration does not have any impact on the quantum features in the limit beyond the single mode. As an interesting result, while the density matrix depends on the right and left Unruh modes, the Negativity as a measure of Quantum Entanglement remains constant. Also, Quantum Discord does not change beyond single mode approximation.

  1. Assessment of approximate computational methods for conical intersections and branching plane vectors in organic molecules

    SciTech Connect (OSTI)

    Nikiforov, Alexander; Gamez, Jose A.; Thiel, Walter [Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470 Mülheim an der Ruhr (Germany); Huix-Rotllant, Miquel [Institute of Physical and Theoretical Chemistry, Goethe University Frankfurt, Max-von-Laue-Str. 7, D-60438 Frankfurt am Main (Germany); Filatov, Michael, E-mail: mike.filatov@gmail.com [Mulliken Center for Theoretical Chemistry, Institut für Physikalische und Theoretische Chemie, Universität Bonn, Beringstr. 4, D-53115 Bonn (Germany)

    2014-09-28T23:59:59.000Z

    Quantum-chemical computational methods are benchmarked for their ability to describe conical intersections in a series of organic molecules and models of biological chromophores. Reference results for the geometries, relative energies, and branching planes of conical intersections are obtained using ab initio multireference configuration interaction with single and double excitations (MRCISD). They are compared with the results from more approximate methods, namely, the state-interaction state-averaged restricted ensemble-referenced Kohn-Sham method, spin-flip time-dependent density functional theory, and a semiempirical MRCISD approach using an orthogonalization-corrected model. It is demonstrated that these approximate methods reproduce the ab initio reference data very well, with root-mean-square deviations in the optimized geometries of the order of 0.1 Å or less and with reasonable agreement in the computed relative energies. A detailed analysis of the branching plane vectors shows that all currently applied methods yield similar nuclear displacements for escaping the strong non-adiabatic coupling region near the conical intersections. Our comparisons support the use of the tested quantum-chemical methods for modeling the photochemistry of large organic and biological systems.

  2. August and September Approximately 29 percent from husks

    E-Print Network [OSTI]

    minutes. Cool promptly in several changes of cold water and drain. Whole-kernel corn: Cut kernels from. Scrape the cobs with the back of the knife to remove the juice and the hearts of the kernels. Pack corn for approximately the same length of time the corn was blanched) and drain well. Tightly ',vrap ears individually

  3. Fractal Inverse Problem: Approximation Formulation and Differential Methods

    E-Print Network [OSTI]

    Guérin, Eric

    Fractal Inverse Problem: Approximation Formulation and Differential Methods ´Eric Gu´erin1 Introduction 1.1 Fractal Inverse Problem The fractal inverse problem is an important research area with a great number of potential application fields. It consists in finding a fractal model or code that generates

  4. Approximating the Minimum Spanning Tree Weight in Sublinear Time

    E-Print Network [OSTI]

    Goldwasser, Shafi

    Approximating the Minimum Spanning Tree Weight in Sublinear Time #3; Bernard Chazelle y Ronitt a parameter 0 minimum span- ning tree in the graph and then grows \\local spanning trees" whose sizes are speci#12;ed by a stochastic process. From

  5. Boundary approximate controllability of some linear parabolic April 5, 2013

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Boundary approximate controllability of some linear parabolic systems April 5, 2013 Guillaume Olive controllability of two classes of linear parabolic systems, namely a system of n heat equations coupled through are the only ones concerning the boundary controllability of linear parabolic systems of heat-type. For more

  6. Exact and Approximate Sampling by Systematic Stochastic Search

    E-Print Network [OSTI]

    Tenenbaum, Josh

    Exact and Approximate Sampling by Systematic Stochastic Search Vikash Mansinghka MIT BCS & CSAIL exact samples over high-dimensional spaces from exact sam- ples over lower-dimensional subspaces. Our do this by generalizing ideas from classic AI search to the stochastic setting. Just as systematic

  7. An Equivalence Between Sparse Approximation and Support Vector Machines 1

    E-Print Network [OSTI]

    Poggio, Tomaso

    An Equivalence Between Sparse Approximation and Support Vector Machines 1 Federico Girosi Center is equivalent to SVM in the following sense: if applied to the same data set the two techniques give the same; Chen, Donoho and Saunders, 1995), are actually equivalent, in the case of noiseless data. By equivalent

  8. Calculating reactor transfer functions by Pade approximation via Lanczos algorithm

    E-Print Network [OSTI]

    Pázsit, Imre

    Calculating reactor transfer functions by PadeÃ? approximation via Lanczos algorithm Zhifeng Kuang a function of a reactor, i.e. the neutron noise induced by a localised perturbation is calculated in one, *,1 , Imre PaÃ? zsit a , Axel Ruhe b a Department of Reactor Physics, Chalmers University of Technology

  9. Non-linear regression models for Approximate Bayesian Computation

    E-Print Network [OSTI]

    Robert, Christian P.

    Non-linear regression models for Approximate Bayesian Computation (ABC) Michael Blum Olivier ABC #12;Blum and OF (2009) suggest the use of non-linear conditional heteroscedastic regression models) Linear regression-based ABC can sometimes be improved #12;abc of ABC Using stochastic simulations

  10. Sensitivity, Approximation and Uncertainty in Power System Dynamic Simulation

    E-Print Network [OSTI]

    1 Sensitivity, Approximation and Uncertainty in Power System Dynamic Simulation Ian A. Hiskens, Fellow, IEEE Jassim Alseddiqui Student Member, IEEE Abstract-- Parameters of power system models the influence of uncertainty in simulations of power system dynamic behaviour. It is shown that trajectory

  11. Geometric Wavelet Approximations and Abdourrahmane M. Atto1

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    1 Geometric Wavelet Approximations and Dierencing Abdourrahmane M. Atto1 , Emmanuel Trouve2 Jean-Marie Nicolas3 , Abstract--The paper introduces the concept of ge- ometric wavelets defined from multiplicative algebras. These wavelets perform generalized geometric approx- imations and differencing. The paper also

  12. A Study of Approximate Data Management Techniques for Sensor Networks

    E-Print Network [OSTI]

    Martin, Ralph R.

    the monitoring operation of sensor nodes by efficiently using their limited energy, bandwidth and computation. The network can therefore be treated as a distributed sensor data management system. Sensor networks differA Study of Approximate Data Management Techniques for Sensor Networks Adonis Skordylis, Niki

  13. Benchmarking a Scalable Approximate Dynamic Programming Algorithm for Stochastic Control

    E-Print Network [OSTI]

    Powell, Warren B.

    for the optimal control of such power systems are critical for the deployment of reliable and more economical and within 1.34% in stochastic ones, much lower than those obtained using model predictive control. We useBenchmarking a Scalable Approximate Dynamic Programming Algorithm for Stochastic Control

  14. Introduction Approximately 40% of rural Ethiopia (WaterAid, 2010)

    E-Print Network [OSTI]

    Walter, M.Todd

    Introduction Approximately 40% of rural Ethiopia (WaterAid, 2010) lacks access to clean water for water pumping is one alternative in the rural areas of Ethiopia since most of the population has technologies for water pumping in Ethiopia and especially in Amhara Region is limited. The promotion

  15. Combining Conjugate Direction Methods with Stochastic Approximation of Gradients

    E-Print Network [OSTI]

    Schraudolph, Nicol N.

    Combining Conjugate Direction Methods with Stochastic Approximation of Gradients #3; Nicol N-8092 Zurich, Switzerland http://www.icos.ethz.ch/ Abstract The method of conjugate directions provides from conjugate gra- dient in the stochastic (online) setting, us- ing fast Hessian-gradient products

  16. Combining Conjugate Direction Methods with Stochastic Approximation of Gradients

    E-Print Network [OSTI]

    Schraudolph, Nicol N.

    Combining Conjugate Direction Methods with Stochastic Approximation of Gradients Nicol N-8092 Z¨urich, Switzerland http://www.icos.ethz.ch/ Abstract The method of conjugate directions provides conjugate gra- dient in the stochastic (online) setting, us- ing fast Hessian-gradient products to set up

  17. APPROXIMATE INVERSE PRECONDITIONING FOR THE CONJUGATE GRADIENT METHOD

    E-Print Network [OSTI]

    Tùma, Miroslav

    APPROXIMATE INVERSE PRECONDITIONING FOR THE CONJUGATE GRADIENT METHOD ON A VECTOR COMPUTER Michele definite matrix, by the preconditioned conjugate gradient method (PCG) (see, e.g., [4]). It is well of the conjugate gradient method reduces to computing a matrix­ vector product with G, an operation which offers

  18. Fast approximation of the bootstrap for model selection

    E-Print Network [OSTI]

    Verleysen, Michel

    Fast approximation of the bootstrap for model selection G. Simon1 , A. Lendasse2 , V. Wertz2 , M. The bootstrap resampling method may be efficiently used to estimate the generalization error of a family with the bootstrap in real-world applications is the high computation load. In this paper we propose a simple

  19. Bootstrap for model selection: linear approximation of the optimism

    E-Print Network [OSTI]

    Verleysen, Michel

    Bootstrap for model selection: linear approximation of the optimism G. Simon1 , A. Lendasse2 , M. Lemaître 4, B-1348 Louvain-la-Neuve, Belgium, lendasse@auto.ucl.ac.be Abstract. The bootstrap resampling, as artificial neural networks. Nevertheless, the use of the bootstrap implies a high computational load

  20. Approximating many-body induction to efficiently describe molecular liquids

    E-Print Network [OSTI]

    Herbert, John

    on the structure and solvation dynamics of the excess electron (in the ground state) but does have a large impact as the structures and properties of molecular systems. This study focuses on approximating many-body electronic methods in order to allow "on-the-fly" energy and force evaluations in dynamical calculations

  1. 3-D cinematography with approximate and no geometry

    E-Print Network [OSTI]

    Magnor, Marcus

    3-D cinematography with approximate and no geometry Martin Eisemann, Timo Stich and Marcus Magnor Abstract 3-D cinematography is a new step towards full immersive video, allow- ing complete control of the book Image and Geometry Processing for 3-D Cinematography published by Springer. 1 Introduction

  2. A COMPUTATONAL METHOD FOR APPROXIMATING A DARCY-STOKES SYSTEM

    E-Print Network [OSTI]

    Arbogast, Todd

    of a second order elliptic (i.e., Darcy) equation on part of the domain coupled to a Stokes equation equation representing Darcy's law and mass conservation, and in the vugs s = \\ ¯d by the Stokes equationA COMPUTATONAL METHOD FOR APPROXIMATING A DARCY-STOKES SYSTEM GOVERNING A VUGGY POROUS MEDIUM TODD

  3. Accelerating Search of Approximate Match on Large Protein Sequence Databases

    E-Print Network [OSTI]

    Wang, Wei

    of supporting indexed search on large biological sequence databases since the construction cost of the index Yang 2 , Yi Xia 3 , Philip Yu 4 Keywords: protein sequence index, approximate match. Due. Building an appropriate index structure is one of the possibilities to achieve such a goal, which

  4. Local RBF Approximation for Scattered Data Fitting with Bivariate Splines

    E-Print Network [OSTI]

    Davydov, Oleg

    and large scale optimization problems arising if the interpolating, smoothing or minimal energy spline in [5], a hybrid polynomial/radial basis scheme was considered in [4], where the local knot locations of radial basis functions, so defining hybrid approximations which are still computed by discrete least

  5. Aqua: A Fast Decision Support System Using Approximate Query Answers

    E-Print Network [OSTI]

    Gibbons, Phillip B.

    commercial relational DBMS. Aqua precomputes synopses (special sta- tistical summaries) of the original data and stores them in the DBMS. It provides approximate an- swers (with quality guarantees) by rewriting on top of any SQL- compliant DBMS managing a data warehouse. Aqua pre- computes statistical summaries

  6. Jitter-Approximation Tradeoff for Periodic Scheduling Zvika Brakerski

    E-Print Network [OSTI]

    Patt-Shamir, Boaz

    Jitter-Approximation Tradeoff for Periodic Scheduling Zvika Brakerski Dept. of Electrical the average period of a job in the schedule is blown up w.r.t. its requested period, and the jitter ratio with low jitter ratio allow the mobile devices to save power by hav- ing their receivers switched off

  7. NUMERICAL APPROXIMATION OF P-SYSTEMS WITH COULOMB FRICTIONAL DAMPING

    E-Print Network [OSTI]

    to the precise nature of the dissipation. Dry (Coulomb) friction is a limit case that has not been fully analyzed in the presence of dry ­ Coulomb­ friction. A model is described in detail in Section 2. A discretizationNUMERICAL APPROXIMATION OF P-SYSTEMS WITH COULOMB FRICTIONAL DAMPING KRISTY COFFEY AND PIERRE A

  8. Successive Rank-One Approximations of Nearly Orthogonally ...

    E-Print Network [OSTI]

    2015-03-01T23:59:59.000Z

    Mar 1, 2015 ... approximating SROA based on the power iteration method of [DLDMV00]. There ... perturbation E is sufficiently small (roughly on the order of 1/n under a natural measure). ... A real p-th order n-dimensional tensor ? ? ? p. R.

  9. Clustering With or Without the Approximation Frans Schalekamp

    E-Print Network [OSTI]

    Schalekamp, Frans

    Clustering With or Without the Approximation Frans Schalekamp ITCS, Tsinghua University Michael Yu MIT Anke van Zuylen ITCS, Tsinghua University Abstract We study algorithms for clustering data if we do not know values of and for which the assumption holds. Finally, we implement these methods

  10. Approximate Inference in Probabilistic Models Manfred Opper1

    E-Print Network [OSTI]

    of Electronics and Computer Science University of Southampton SO17 1BJ, United Kingdom mo@ecs.soton.ac.uk 2 on free energies. The free energy is constructed from two approximating distributions which encode differ Energy (GFE), an entropic quantity which (originally developed in Statistical Physics) allows us

  11. The Exemplar Breakpoint Distance for nontrivial genomes cannot be approximated

    E-Print Network [OSTI]

    Fertin, Guillaume

    The Exemplar Breakpoint Distance for non­trivial genomes cannot be approximated Guillaume Blin 1 ­ France guillaume.fertin@univ­nantes.fr Abstract. A promising and active field of comparative genomics con­ sists in comparing two genomes by establishing a one­to­one correspon­ dence (i.e., a matching) between

  12. Self-similar and charged spheres in the diffusion approximation

    E-Print Network [OSTI]

    W. Barreto; A. Da Silva

    2005-08-12T23:59:59.000Z

    We study spherical, charged and self--similar distributions of matter in the diffusion approximation. We propose a simple, dynamic but physically meaningful solution. For such a solution we obtain a model in which the distribution becomes static and changes to dust. The collapse is halted with damped mass oscillations about the absolute value of the total charge.

  13. Securely Computing an Approximate Median in Wireless Sensor Networks

    E-Print Network [OSTI]

    Setia, Sanjeev

    Securely Computing an Approximate Median in Wireless Sensor Networks Sankardas Roy 1 sroy1@gmu and the unattended nature of sensor nodes, sensor network protocols need to be designed with security in mind and efficient. Categories and Subject Descriptors C.2.0 [Computer-Communication Networks]: General- Security

  14. Constraints on primordial black holes and primeval density perturbations from the epoch of reionization

    E-Print Network [OSTI]

    Ping He; Li-Zhi Fang

    2002-02-12T23:59:59.000Z

    We investigate the constraint on the abundance of primordial black holes (PBHs) and the spectral index $n$ of primeval density perturbations given by the ionizing photon background at the epoch of reionization. Within the standard inflationary cosmogony, we show that the spectral index $n$ of the power-law power spectrum of primeval density perturbations should be $n<$1.27. Since the universe is still optical thick at the reionization redshift $z\\sim 6$ - 8, this constraint is independent of the unknown parameter of reheating temperature of the inflation. The ionizing photon background from the PBHs can be well approximated by a power law spectrum $J(\

  15. A density theorem for asymptotically hyperbolic initial data satisfying the dominant energy condition

    E-Print Network [OSTI]

    Dahl, Mattias

    2015-01-01T23:59:59.000Z

    When working with asymptotically hyperbolic initial data sets for general relativity it is convenient to assume certain simplifying properties. We prove that the subset of initial data with such properties is dense in the set of physically reasonable asymptotically hyperbolic initial data sets. More specifically, we show that an asymptotically hyperbolic initial data set with non-negative local energy density can be approximated by an initial data set with strictly positive local energy density and a simple structure at infinity, while changing the mass arbitrarily little. The argument follows an argument used by Eichmair, Huang, Lee, and Schoen in the asymptotically Euclidean case.

  16. Density gradient free electron collisionally excited X-ray laser

    DOE Patents [OSTI]

    Campbell, Edward M. (Pleasanton, CA); Rosen, Mordecai D. (Berkeley, CA)

    1989-01-01T23:59:59.000Z

    An operational X-ray laser (30) is provided that amplifies 3p-3s transition X-ray radiation along an approximately linear path. The X-ray laser (30) is driven by a high power optical laser. The driving line focused optical laser beam (32) illuminates a free-standing thin foil (34) that may be associated with a substrate (36) for improved structural integrity. This illumination produces a generally cylindrically shaped plasma having an essentially uniform electron density and temperature, that exists over a long period of time, and provides the X-ray laser gain medium. The X-ray laser (30) may be driven by more than one optical laser beam (32, 44). The X-ray laser (30) has been successfully demonstrated to function in a series of experimental tests.

  17. Density gradient free electron collisionally excited x-ray laser

    DOE Patents [OSTI]

    Campbell, E.M.; Rosen, M.D.

    1984-11-29T23:59:59.000Z

    An operational x-ray laser is provided that amplifies 3p-3s transition x-ray radiation along an approximately linear path. The x-ray laser is driven by a high power optical laser. The driving line focused optical laser beam illuminates a free-standing thin foil that may be associated with a substrate for improved structural integrity. This illumination produces a generally cylindrically shaped plasma having an essentially uniform electron density and temperature, that exists over a long period of time, and provides the x-ray laser gain medium. The x-ray laser may be driven by more than one optical laser beam. The x-ray laser has been successfully demonstrated to function in a series of experimental tests.

  18. Quartz resonator fluid density and viscosity monitor

    DOE Patents [OSTI]

    Martin, Stephen J. (Albuquerque, NM); Wiczer, James J. (Albuquerque, NM); Cernosek, Richard W. (Albuquerque, NM); Frye, Gregory C. (Cedar Crest, NM); Gebert, Charles T. (Albuquerque, NM); Casaus, Leonard (Bernalillo, NM); Mitchell, Mary A. (Tijeras, NM)

    1998-01-01T23:59:59.000Z

    A pair of thickness-shear mode resonators, one smooth and one with a textured surface, allows fluid density and viscosity to be independently resolved. A textured surface, either randomly rough or regularly patterned, leads to trapping of liquid at the device surface. The synchronous motion of this trapped liquid with the oscillating device surface allows the device to weigh the liquid; this leads to an additional response that depends on liquid density. This additional response enables a pair of devices, one smooth and one textured, to independently resolve liquid density and viscosity; the difference in responses determines the density while the smooth device determines the density-viscosity product, and thus, the pair determines both density and viscosity.

  19. Global hybrids from the semiclassical atom theory satisfying the local density linear response

    E-Print Network [OSTI]

    Fabiano, E; Cortona, P; Della Sala, F

    2015-01-01T23:59:59.000Z

    We propose global hybrid approximations of the exchange-correlation (XC) energy functional which reproduce well the modified fourth-order gradient expansion of the exchange energy in the semiclassical limit of many-electron neutral atoms and recover the full local density approximation (LDA) linear response. These XC functionals represent the hybrid versions of the APBE functional [Phys. Rev. Lett. 106, 186406, (2011)] yet employing an additional correlation functional which uses the localization concept of the correlation energy density to improve the compatibility with the Hartree-Fock exchange as well as the coupling-constant-resolved XC potential energy. Broad energetical and structural testings, including thermochemistry and geometry, transition metal complexes, non-covalent interactions, gold clusters and small gold-molecule interfaces, as well as an analysis of the hybrid parameters, show that our construction is quite robust. In particular, our testing shows that the resulting hybrid, including 20\\% o...

  20. Ground state properties and high pressure behavior of plutonium dioxide: Systematic density functional calculations

    E-Print Network [OSTI]

    Zhang, Ping; Zhao, Xian-Geng

    2010-01-01T23:59:59.000Z

    Plutonium dioxide is of high technological importance in nuclear fuel cycle and is particularly crucial in long-term storage of Pu-based radioactive waste. Using first-principles density-functional theory, in this paper we systematically study the structural, electronic, mechanical, thermodynamic properties, and pressure induced structural transition of PuO$_{2}$. To properly describe the strong correlation in the Pu $5f$ electrons, the local density approximation$+U$ and the generalized gradient approximation$+U$ theoretical formalisms have been employed. We optimize the $U$ parameter in calculating the total energy, lattice parameters, and bulk modulus at the nonmagnetic, ferromagnetic, and antiferromagnetic configurations for both ground state fluorite structure and high pressure cotunnite structure. The best agreement with experiments is obtained by tuning the effective Hubbard parameter $U$ at around 4 eV within the LDA$+U$ approach. After carefully testing the validity of the ground state, we further in...

  1. Method of synthesizing a low density material

    DOE Patents [OSTI]

    Lorensen, L.E.; Monaco, S.B.

    1987-02-27T23:59:59.000Z

    A novel method of synthesizing a polymeric material of low density of the order of 50mg/cc or less. Such a low density material has applications in many areas including laser target fabrication. The method comprises preparing a polymer blend of two incompatible polymers as a major and a minor phase by mixing them and extruding the mixture, and then selectively extracting the major component, to yield a fine, low density structure.

  2. Some recent efforts toward high density implosions

    SciTech Connect (OSTI)

    McClellan, G.E.

    1980-12-04T23:59:59.000Z

    Some recent Livermore efforts towards achieving high-density implosions are presented. The implosion dynamics necessary to compress DT fuel to 10 to 100 times liquid density are discussed. Methods of diagnosing the maximum DT density for a specific design are presented along with results to date. The dynamics of the double-shelled target with an exploding outer shell are described, and some preliminary experimental results are presented.

  3. Considering Air Density in Wind Power Production

    E-Print Network [OSTI]

    Zénó Farkas

    2011-03-11T23:59:59.000Z

    In the wind power production calculations the air density is usually considered as constant in time. Using the CIPM-2007 equation for the density of moist air as a function of air temperature, air pressure and relative humidity, we show that it is worth taking the variation of the air density into account, because higher accuracy can be obtained in the calculation of the power production for little effort.

  4. Considering Air Density in Wind Power Production

    E-Print Network [OSTI]

    Farkas, Zénó

    2011-01-01T23:59:59.000Z

    In the wind power production calculations the air density is usually considered as constant in time. Using the CIPM-2007 equation for the density of moist air as a function of air temperature, air pressure and relative humidity, we show that it is worth taking the variation of the air density into account, because higher accuracy can be obtained in the calculation of the power production for little effort.

  5. On the Extensive Air Shower density spectrum

    E-Print Network [OSTI]

    Aleksander Zawadzki; Tadeusz Wibig; Jerzy Gawin

    1998-07-29T23:59:59.000Z

    In search for new methods of determining the primary energy spectrum of Cosmic Rays, the attention was paid to the density spectrum measurement. New methods available at present warrant an accurateness of conclusions derived from the density spectrum measurements. The general statement about the change of the spectral index of the charged particle density spectrum is confirmed very clearly. Results concerning the shower size and primary energy spectra are also presented and discussed. Interesting future prospects for applications of the density spectrum method are proposed.

  6. Lipoprotein subclass analysis by immunospecific density 

    E-Print Network [OSTI]

    Lester, Sandy Marie

    2009-05-15T23:59:59.000Z

    ] 6 Table 1: Composition of Human Serum Lipoproteins Component Chylomicrons VLDL IDL LDL HDL Phospholipids (Weight %) 6-9 16-20 20-24 24-30 24-30 Free Cholesterol (Weight %) 1-3 4-8 8-9 9-12 2-5 Cholesteryl Esters (Weight %) 3-6 9... lipase; IDL, intermediate-density lipoprotein; LCAT, lecithin-cholesterol acyltransferase; LDL, low-density lipoprotein; LDL-R, low-density lipoprotein receptor; LDL-RRP, low-density lipoprotein receptor-related protein; Lyso PC...

  7. 3-D capacitance density imaging system

    DOE Patents [OSTI]

    Fasching, G.E.

    1988-03-18T23:59:59.000Z

    A three-dimensional capacitance density imaging of a gasified bed or the like in a containment vessel is achieved using a plurality of electrodes provided circumferentially about the bed in levels and along the bed in channels. The electrodes are individually and selectively excited electrically at each level to produce a plurality of current flux field patterns generated in the bed at each level. The current flux field patterns are suitably sensed and a density pattern of the bed at each level determined. By combining the determined density patterns at each level, a three-dimensional density image of the bed is achieved. 7 figs.

  8. Isothermal and shock compression of high density ammonium nitrate and ammonium perchlorate

    SciTech Connect (OSTI)

    Sandstrom, F.W.; Persson, P.A. [New Mexico Inst. of Mining and Technology, Socorro, NM (United States); Olinger, B. [Los Alamos National Lab., NM (United States)

    1992-10-01T23:59:59.000Z

    Given the widespread use of ammonium nitrate (AN) and ammonium perchlorate (AP) for energetic materials applications, relatively little data is available regarding their behavior under shock loading. We have evaluated the shock Hugoniots of AN and AP at high initial density ({ge} 94% TMD) to pressures of approximately 20 GPa. We have used sound speed measurements, isothermal compfession X-ray diffraction experiments and shock loading experiments to further explore the behavior of the two materials at elevated pressures.

  9. Isothermal and shock compression of high density ammonium nitrate and ammonium perchlorate

    SciTech Connect (OSTI)

    Sandstrom, F.W.; Persson, P.A. (New Mexico Inst. of Mining and Technology, Socorro, NM (United States)); Olinger, B. (Los Alamos National Lab., NM (United States))

    1992-01-01T23:59:59.000Z

    Given the widespread use of ammonium nitrate (AN) and ammonium perchlorate (AP) for energetic materials applications, relatively little data is available regarding their behavior under shock loading. We have evaluated the shock Hugoniots of AN and AP at high initial density ([ge] 94% TMD) to pressures of approximately 20 GPa. We have used sound speed measurements, isothermal compfession X-ray diffraction experiments and shock loading experiments to further explore the behavior of the two materials at elevated pressures.

  10. Quantum optimal control within the rotating wave approximation

    E-Print Network [OSTI]

    Maximilian Keck; Matthias M. Müller; Tommaso Calarco; Simone Montangero

    2015-03-06T23:59:59.000Z

    We study the interplay between rotating wave approximation and optimal control. In particular, we show that for a wide class of optimal control problems one can choose the control field such that the Hamiltonian becomes time-independent under the rotating wave approximation. Thus, we show how to recast the functional minimization defined by the optimal control problem into a simpler multi-variable function minimization. We provide the analytic solution to the state-to-state transfer of the paradigmatic two-level system and to the more general star configuration of an $N$-level system. We demonstrate numerically the usefulness of this approach in the more general class of connected acyclic $N$-level systems with random spectra. Finally, we use it to design a protocol to entangle Rydberg via constant laser pulses atoms in an experimentally relevant range of parameters.

  11. On approximate controllability of generalized KdV solitons

    E-Print Network [OSTI]

    Claudio Muñoz

    2014-05-24T23:59:59.000Z

    We consider the approximate control of solitons in generalized Korteweg-de Vries equations. By introducing a suitable internal bilinear control on the equation, we prove that any soliton is locally null controllable, and moreover, any soliton can be accelerated to any particular positive velocity, after a suitable large amount of time. Precise estimates on the error terms and the rate of decay in the approximate null controllability result are also given. Our method introduces a new insight on the control of nonlinear objects, from the point of view of interaction and collision problems for nonlinear dispersive equations, recently developed by Y. Martel and F. Merle. It can be applied in principle, to several other models with soliton solutions.

  12. Quasielastic electron-deuteron scattering in the weak binding approximation

    SciTech Connect (OSTI)

    Ethier, Jacob J. [William and Mary College, JLAB; Doshi, Nidhi P. [Carnegie Mellon University; Malace, Simona P. [JLAB; Melnitchouk, Wally [JLAB

    2014-06-01T23:59:59.000Z

    We perform a global analysis of all available electron-deuteron quasielastic scattering data using Q^2-dependent smearing functions that describe inclusive inelastic e-d scattering within the weak binding approximation. We study the dependence of the cross sections on the deuteron wave function and the off-shell extrapolation of the elastic electron-nucleon cross section, which show particular sensitivity at x >> 1. The excellent overall agreement with data over a large range of Q^2 and x suggest a limited need for effects beyond the impulse approximation, with the exception of the very high-x or very low-Q^2 regions, where short-distance effects in the deuteron become more relevant.

  13. Exploring approximations to the GW self-energy ionic gradients

    E-Print Network [OSTI]

    Faber, C; Attaccalite, C; Cannuccia, E; Duchemin, I; Deutsch, T; Blase, X

    2015-01-01T23:59:59.000Z

    The accuracy of the many-body perturbation theory GW formalism to calculate electron-phonon coupling matrix elements has been recently demonstrated in the case of a few important systems. However, the related computational costs are high and thus represent strong limitations to its widespread application. In the present study, we explore two less demanding alternatives for the calculation of electron-phonon coupling matrix elements on the many-body perturbation theory level. Namely, we test the accuracy of the static Coulomb-hole plus screened-exchange (COHSEX) approximation and further of the constant screening approach, where variations of the screened Coulomb potential W upon small changes of the atomic positions along the vibrational eigenmodes are neglected. We find this latter approximation to be the most reliable, whereas the static COHSEX ansatz leads to substantial errors. Our conclusions are validated in a few paradigmatic cases: diamond, graphene and the C60 fullerene. These findings open the way f...

  14. On the Peterlin approximation for turbulent flows of polymer solutions

    E-Print Network [OSTI]

    Dario Vincenzi; Prasad Perlekar; Luca Biferale; Federico Toschi

    2015-05-26T23:59:59.000Z

    We study the impact of the Peterlin approximation on the statistics of the end-to-end separation of poly- mers in a turbulent flow. The FENE and FENE-P models are numerically integrated along a large number of Lagrangian trajectories resulting from a direct numerical simulation of three-dimensional homogeneous isotropic turbulence. Although the FENE-P model yields results in qualitative agreement with those of the FENE model, quantitative differences emerge. The steady-state probability of large extensions is overesti- mated by the FENE-P model. The alignment of polymers with the eigenvectors of the rate-of-strain tensor and with the direction of vorticity is weaker when the Peterlin approximation is used. At large Weissenberg numbers, both the correlation times of the extension and of the orientation of polymers are underestimated by the FENE-P model.

  15. On the Peterlin approximation for turbulent flows of polymer solutions

    E-Print Network [OSTI]

    Vincenzi, Dario; Biferale, Luca; Toschi, Federico

    2015-01-01T23:59:59.000Z

    We study the impact of the Peterlin approximation on the statistics of the end-to-end separation of poly- mers in a turbulent flow. The FENE and FENE-P models are numerically integrated along a large number of Lagrangian trajectories resulting from a direct numerical simulation of three-dimensional homogeneous isotropic turbulence. Although the FENE-P model yields results in qualitative agreement with those of the FENE model, quantitative differences emerge. The steady-state probability of large extensions is overesti- mated by the FENE-P model. The alignment of polymers with the eigenvectors of the rate-of-strain tensor and with the direction of vorticity is weaker when the Peterlin approximation is used. At large Weissenberg numbers, both the correlation times of the extension and of the orientation of polymers are underestimated by the FENE-P model.

  16. New Algorithms for Finding Approximate Frequent Item Sets

    E-Print Network [OSTI]

    Berthold, Michael R.

    New Algorithms for Finding Approximate Frequent Item Sets Christian Borgelt1 , Christian Braune1,2 , Tobias K¨otter3 and Sonja Gr¨un4,5 1 European Centre for Soft Computing c/ Gonzalo Guti´errez Quir´os s/n.borgelt@softcomputing.es, christian.braune@st.ovgu.de, tobias.koetter@uni-konstanz.de, s.gruen@fz-juelich.de Abstract. In standard

  17. Product-state Approximations to Quantum Ground States

    E-Print Network [OSTI]

    Fernando G. S. L. Brandão; Aram W. Harrow

    2014-12-15T23:59:59.000Z

    The local Hamiltonian problem consists of estimating the ground-state energy (given by the minimum eigenvalue) of a local quantum Hamiltonian. First, we show the existence of a good product-state approximation for the ground-state energy of 2-local Hamiltonians with one or more of the following properties: (1) high degree, (2) small expansion, or (3) a ground state with sublinear entanglement with respect to some partition into small pieces. The approximation based on degree is a surprising difference between quantum Hamiltonians and classical CSPs (constraint satisfaction problems), since in the classical setting, higher degree is usually associated with harder CSPs. The approximation based on low entanglement, in turn, was previously known only in the regime where the entanglement was close to zero. Since the existence of a low-energy product state can be checked in NP, the result implies that any Hamiltonian used for a quantum PCP theorem should have: (1) constant degree, (2) constant expansion, (3) a "volume law" for entanglement with respect to any partition into small parts. Second, we show that in several cases, good product-state approximations not only exist, but can be found in polynomial time: (1) 2-local Hamiltonians on any planar graph, solving an open problem of Bansal, Bravyi, and Terhal, (2) dense k-local Hamiltonians for any constant k, solving an open problem of Gharibian and Kempe, and (3) 2-local Hamiltonians on graphs with low threshold rank, via a quantum generalization of a recent result of Barak, Raghavendra and Steurer. Our work introduces two new tools which may be of independent interest. First, we prove a new quantum version of the de Finetti theorem which does not require the usual assumption of symmetry. Second, we describe a way to analyze the application of the Lasserre/Parrilo SDP hierarchy to local quantum Hamiltonians.

  18. Studies in Interpolation and Approximation of Multivariate Bandlimited Functions 

    E-Print Network [OSTI]

    Bailey, Benjamin Aaron

    2012-10-19T23:59:59.000Z

    &M University in partial ful llment of the requirements for the degree of DOCTOR OF PHILOSOPHY Approved by: Co-Chairs of Committee, Thomas Schlumprecht N. Sivakumar Committee Members, Joel Zinn William Johnson Fred Dahm Head of Department, Albert...{Chairs of Advisory Committee: Dr. Thomas Schlumprecht Dr. N. Sivakumar The focus of this dissertation is the interpolation and approximation of multi- variate bandlimited functions via sampled (function) values. The rst set of results investigates polynomial...

  19. Automating efficiency-targeted approximations in modelling and simulation tools: dynamic decoupling and mixed-mode

    E-Print Network [OSTI]

    Como, Giacomo

    Automating efficiency-targeted approximations in modelling and simulation tools: dynamic decoupling (classical) efficiency-targeted approximation tech- niques, within a unified framework. Some application

  20. Corrections to Eikonal Approximation for Nuclear Scattering at Medium Energies

    E-Print Network [OSTI]

    Micah Buuck; Gerald A. Miller

    2014-06-12T23:59:59.000Z

    The upcoming Facility for Rare Isotope Beams (FRIB) at the National Superconducting Cyclotron Laboratory (NSCL) at Michigan State University has reemphasized the importance of accurate modeling of low energy nucleus-nucleus scattering. Such calculations have been simplified by using the eikonal approximation. As a high energy approximation, however, its accuracy suffers for the medium energy beams that are of current experimental interest. A prescription developed by Wallace \\cite{Wallace:1971zz,Wallace:1973iu} that obtains the scattering propagator as an expansion around the eikonal propagator (Glauber approach) has the potential to extend the range of validity of the approximation to lower energies. Here we examine the properties of this expansion, and calculate the first-, second-, and third-order corrections for the scattering of a spinless particle off of a ${}^{40}$Ca nucleus, and for nuclear breakup reactions involving ${}^{11}$Be. We find that, including these corrections extends the lower bound of the range of validity of the down to energies of 40 MeV. At that energy the corrections provide as much as a 15\\% correction to certain processes.

  1. The periodic standing-wave approximation: post-Minkowski computation

    E-Print Network [OSTI]

    Christopher Beetle; Benjamin Bromley; Napoleón Hernández; Richard H. Price

    2007-08-08T23:59:59.000Z

    The periodic standing wave method studies circular orbits of compact objects coupled to helically symmetric standing wave gravitational fields. From this solution an approximation is extracted for the strong field, slowly inspiralling motion of black holes and binary stars. Previous work on this model has dealt with nonlinear scalar models, and with linearized general relativity. Here we present the results of the method for the post-Minkowski (PM) approximation to general relativity, the first step beyond linearized gravity. We compute the PM approximation in two ways: first, via the standard approach of computing linearized gravitational fields and constructing from them quadratic driving sources for second-order fields, and second, by solving the second-order equations as an ``exact'' nonlinear system. The results of these computations have two distinct applications: (i) The computational infrastructure for the ``exact'' PM solution will be directly applicable to full general relativity. (ii) The results will allow us to begin supplying initial data to collaborators running general relativistic evolution codes.

  2. aerial density profiles: Topics by E-print Network

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

    present an analytic approach to predict gas density and temperature profiles in dark matter haloes. We assume that the gas density profile traces the dark matter density profile...

  3. High density laser-driven target

    DOE Patents [OSTI]

    Lindl, John D. (San Ramon, CA)

    1981-01-01T23:59:59.000Z

    A high density target for implosion by laser energy composed of a central quantity of fuel surrounded by a high-Z pusher shell with a low-Z ablator-pusher shell spaced therefrom forming a region filled with low-density material.

  4. Neutral depletion and the helicon density limit

    SciTech Connect (OSTI)

    Magee, R. M.; Galante, M. E.; Carr, J. Jr.; Lusk, G.; McCarren, D. W.; Scime, E. E. [West Virginia University, Morgantown, West Virginia 26506 (United States)] [West Virginia University, Morgantown, West Virginia 26506 (United States)

    2013-12-15T23:59:59.000Z

    It is straightforward to create fully ionized plasmas with modest rf power in a helicon. It is difficult, however, to create plasmas with density >10{sup 20} m{sup ?3}, because neutral depletion leads to a lack of fuel. In order to address this density limit, we present fast (1 MHz), time-resolved measurements of the neutral density at and downstream from the rf antenna in krypton helicon plasmas. At the start of the discharge, the neutral density underneath the antenna is reduced to 1% of its initial value in 15 ?s. The ionization rate inferred from these data implies that the electron temperature near the antenna is much higher than the electron temperature measured downstream. Neutral density measurements made downstream from the antenna show much slower depletion, requiring 14 ms to decrease by a factor of 1/e. Furthermore, the downstream depletion appears to be due to neutral pumping rather than ionization.

  5. Density functional theory for carbon dioxide crystal

    SciTech Connect (OSTI)

    Chang, Yiwen; Mi, Jianguo, E-mail: mijg@mail.buct.edu.cn; Zhong, Chongli [State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, Beijing 100029 (China)

    2014-05-28T23:59:59.000Z

    We present a density functional approach to describe the solid?liquid phase transition, interfacial and crystal structure, and properties of polyatomic CO{sub 2}. Unlike previous phase field crystal model or density functional theory, which are derived from the second order direct correlation function, the present density functional approach is based on the fundamental measure theory for hard-sphere repulsion in solid. More importantly, the contributions of enthalpic interactions due to the dispersive attractions and of entropic interactions arising from the molecular architecture are integrated in the density functional model. Using the theoretical model, the predicted liquid and solid densities of CO{sub 2} at equilibrium triple point are in good agreement with the experimental values. Based on the structure of crystal-liquid interfaces in different planes, the corresponding interfacial tensions are predicted. Their respective accuracies need to be tested.

  6. Effective shell model Hamiltonians from density functional theory: quadrupolar and pairing correlations

    E-Print Network [OSTI]

    R. Rodriguez-Guzman; Y. Alhassid; G. F. Bertsch

    2007-09-04T23:59:59.000Z

    We describe a procedure for mapping a self-consistent mean-field theory (also known as density functional theory) into a shell model Hamiltonian that includes quadrupole-quadrupole and monopole pairing interactions in a truncated space. We test our method in the deformed N=Z sd-shell nuclei Ne-20, Mg-24 and Ar-36, starting from the Hartree-Fock plus BCS approximation of the USD shell model interaction. A similar procedure is then followed using the SLy4 Skyrme energy density functional in the particle-hole channel plus a zero-range density-dependent force in the pairing channel. Using the ground-state solution of this density functional theory at the Hartree-Fock plus BCS level, an effective shell model Hamiltonian is constructed. We use this mapped Hamiltonian to extract quadrupolar and pairing correlation energies beyond the mean field approximation. The rescaling of the mass quadrupole operator in the truncated shell model space is found to be almost independent of the coupling strength used in the pairing channel of the underlying mean-field theory.

  7. Structure formation: a spherical model for the evolution of the density distribution

    E-Print Network [OSTI]

    P. Valageas

    1998-07-02T23:59:59.000Z

    Within the framework of hierarchical clustering we show that a simple Press-Schechter-like approximation, based on spherical dynamics, provides a good estimate of the evolution of the density field in the quasi-linear regime up to $\\Sigma \\sim 1$. Moreover, it allows one to recover the exact series of the cumulants of the probability distribution of the density contrast in the limit $\\Sigma \\to 0$ which sheds some light on the rigorous result and on ``filtering''. We also obtain similar results for the divergence of the velocity field. Next, we extend this prescription to the highly non-linear regime, using a stable-clustering approximation. Then we recover a specific scaling of the counts-in-cells which is indeed seen in numerical simulations, over a well-defined range. To this order we also introduce an explicit treatment of the behaviour of underdensities, which takes care of the normalization and is linked to the low-density bubbles and the walls one can see in numerical simulations. We compare this to a 1-dimensional adhesion model, and we present the consequences of our prescription for the power-law tail and the cutoff of the density distribution.

  8. Dynamics of false vacuum bubbles: beyond the thin shell approximation

    E-Print Network [OSTI]

    Jakob Hansen; Dong-il Hwang; Dong-han Yeom

    2009-11-08T23:59:59.000Z

    We numerically study the dynamics of false vacuum bubbles which are inside an almost flat background; we assumed spherical symmetry and the size of the bubble is smaller than the size of the background horizon. According to the thin shell approximation and the null energy condition, if the bubble is outside of a Schwarzschild black hole, unless we assume Farhi-Guth-Guven tunneling, expanding and inflating solutions are impossible. In this paper, we extend our method to beyond the thin shell approximation: we include the dynamics of fields and assume that the transition layer between a true vacuum and a false vacuum has non-zero thickness. If a shell has sufficiently low energy, as expected from the thin shell approximation, it collapses (Type 1). However, if the shell has sufficiently large energy, it tends to expand. Here, via the field dynamics, field values of inside of the shell slowly roll down to the true vacuum and hence the shell does not inflate (Type 2). If we add sufficient exotic matters to regularize the curvature near the shell, inflation may be possible without assuming Farhi-Guth-Guven tunneling. In this case, a wormhole is dynamically generated around the shell (Type 3). By tuning our simulation parameters, we could find transitions between Type 1 and Type 2, as well as between Type 2 and Type 3. Between Type 2 and Type 3, we could find another class of solutions (Type 4). Finally, we discuss the generation of a bubble universe and the violation of unitarity. We conclude that the existence of a certain combination of exotic matter fields violates unitarity.

  9. Density Prediction of Uranium-6 Niobium Ingots

    SciTech Connect (OSTI)

    D.F.Teter; P.K. Tubesing; D.J.Thoma; E.J.Peterson

    2003-04-15T23:59:59.000Z

    The densities of uranium-6 niobium (U-Nb) alloys have been compiled from a variety of literature sources such as Y-12 and Rocky Flats datasheets. We also took advantage of the 42 well-pedigreed, homogeneous baseline U-Nb alloys produced under the Enhanced Surveillance Program for density measurements. Even though U-Nb alloys undergo two-phase transitions as the Nb content varies from 0 wt. % to 8 wt %, the theoretical and measured densities vary linearly with Nb content. Therefore, the effect of Nb content on the density was modeled with a linear regression. From this linear regression, a homogeneous ingot of U-6 wt.% Nb would have a density of 17.382 {+-} 0.040 g/cc (95% CI). However, ingots produced at Y-12 are not homogeneous with respect to the Nb content. Therefore, using the 95% confidence intervals, the density of a Y-12 produced ingot would vary from 17.310 {+-} 0.043 g/cc at the center to 17.432 {+-} 0.039 g/cc at the edge. Ingots with larger Nb inhomogeneities will also have larger variances in the density.

  10. Periodic subsystem density-functional theory

    SciTech Connect (OSTI)

    Genova, Alessandro; Pavanello, Michele, E-mail: m.pavanello@rutgers.edu [Department of Chemistry, Rutgers University, Newark, New Jersey 07102 (United States); Ceresoli, Davide [Department of Chemistry, Rutgers University, Newark, New Jersey 07102 (United States); CNR-ISTM, Institute of Molecular Sciences and Technologies, Milano (Italy)

    2014-11-07T23:59:59.000Z

    By partitioning the electron density into subsystem contributions, the Frozen Density Embedding (FDE) formulation of subsystem Density Functional Theory (DFT) has recently emerged as a powerful tool for reducing the computational scaling of Kohn–Sham DFT. To date, however, FDE has been employed to molecular systems only. Periodic systems, such as metals, semiconductors, and other crystalline solids have been outside the applicability of FDE, mostly because of the lack of a periodic FDE implementation. To fill this gap, in this work we aim at extending FDE to treat subsystems of molecular and periodic character. This goal is achieved by a dual approach. On one side, the development of a theoretical framework for periodic subsystem DFT. On the other, the realization of the method into a parallel computer code. We find that periodic FDE is capable of reproducing total electron densities and (to a lesser extent) also interaction energies of molecular systems weakly interacting with metallic surfaces. In the pilot calculations considered, we find that FDE fails in those cases where there is appreciable density overlap between the subsystems. Conversely, we find FDE to be in semiquantitative agreement with Kohn–Sham DFT when the inter-subsystem density overlap is low. We also conclude that to make FDE a suitable method for describing molecular adsorption at surfaces, kinetic energy density functionals that go beyond the GGA level must be employed.

  11. Spectral density of the Dirac operator in two-flavour QCD

    E-Print Network [OSTI]

    Georg P. Engel; Leonardo Giusti; Stefano Lottini; Rainer Sommer

    2014-11-24T23:59:59.000Z

    We compute the spectral density of the (Hermitean) Dirac operator in Quantum Chromodynamics with two light degenerate quarks near the origin. We use CLS/ALPHA lattices generated with two flavours of O(a)-improved Wilson fermions corresponding to pseudoscalar meson masses down to 190 MeV, and with spacings in the range 0.05-0.08 fm. Thanks to the coverage of parameter space, we can extrapolate our data to the chiral and continuum limits with confidence. The results show that the spectral density at the origin is non-zero because the low modes of the Dirac operator do condense as expected in the Banks-Casher mechanism. Within errors, the spectral density turns out to be a constant function up to eigenvalues of approximately 80 MeV. Its value agrees with the one extracted from the Gell-Mann-Oakes-Renner relation.

  12. Effect of low density H-mode operation on edge and divertor plasma parameters

    SciTech Connect (OSTI)

    Maingi, R. [Oak Ridge Associated Universities, Inc., TN (United States); Mioduszewski, P.K. [Oak Ridge National Lab., TN (United States); Cuthbertson, J.W. [Sandia National Labs., Albuquerque, NM (United States)] [and others

    1994-07-01T23:59:59.000Z

    We present a study of the impact of H-mode operation at low density on divertor plasma parameters on the DIII-D tokamak. The line-average density in H-mode was scanned by variation of the particle exhaust rate, using the recently installed divertor cryo-condensation pump. The maximum decrease (50%) in line-average electron density was accompanied by a factor of 2 increase in the edge electron temperature, and 10% and 20% reductions in the measured core and divertor radiated power, respectively. The measured total power to the inboard divertor target increased by a factor of 3, with the major contribution coming from a factor of 5 increase in the peak heat flux very close to the inner strike point. The measured increase in power at the inboard divertor target was approximately equal to the measured decrease in core and divertor radiation.

  13. Molecular Density Functional Theory for water with liquid-gas coexistence and correct pressure

    E-Print Network [OSTI]

    Jeanmairet, Guillaume; Sergiievskyi, Volodymyr; Borgis, Daniel

    2015-01-01T23:59:59.000Z

    The solvation of hydrophobic solutes in water is special because liquid and gas are almost at coexistence. In the common hypernetted chain approximation to integral equations, or equivalently in the homogenous reference fluid of molecular density functional theory, coexistence is not taken into account. Hydration structures and energies of nanometer-scale hydrophobic solutes are thus incorrect. In this article, we propose a bridge functional that corrects this thermodynamic inconsistency by introducing a metastable gas phase for the homogeneous solvent. We show how this can be done by a third order expansion of the functional around the bulk liquid density that imposes the right pressure and the correct second order derivatives. Although this theory is not limited to water, we apply it to study hydrophobic solvation in water at room temperature and pressure and compare the results to all-atom simulations. With this correction, molecular density functional theory gives, at a modest computational cost, quantita...

  14. Compton scattering from positronium and validity of the impulse approximation

    SciTech Connect (OSTI)

    Kaliman, Z.; Pisk, K.; Pratt, R. H. [Department of Physics, University of Rijeka, Rijeka (Croatia); Rudjer Boskovic Institute, P. O. Box 180, Zagreb (Croatia) and University of Dubrovnik, Dubrovnik (Croatia); Department of Physics and Astronomy, University of Pittsburgh, Pittsburgh, Pennsylvania 15260 (United States)

    2011-05-15T23:59:59.000Z

    The cross sections for Compton scattering from positronium are calculated in the range from 1 to 100 keV incident photon energy. The calculations are based on the A{sup 2} term of the photon-electron or photon-positron interaction. Unlike in hydrogen, the scattering occurs from two centers and the interference effect plays an important role for energies below 8 keV. Because of the interference, the criterion for validity of the impulse approximation for positronium is more restrictive compared to that for hydrogen.

  15. Dark Energy Regulation with Approximate Emergent Conformal Symmetry

    E-Print Network [OSTI]

    Yongsung Yoon

    2013-08-28T23:59:59.000Z

    A cosmic potential which can relax the vacuum energy is proposed in a framework of scalar-tensor gravity. In the phase of the gravity scalar field around the evolution with an approximate emergent conformal symmetry, we have obtained a set of cosmological equations with the dark energy regulated to the order of a conformal anomaly parameter. Through a role of the cosmic potential, the vacuum energy which could be generated in matter Lagrangian does not contribute to the dark energy in the phase.

  16. Hardness of Approximate Hypergraph Coloring Venkatesan Guruswami Johan Hastad y Madhu Sudan z

    E-Print Network [OSTI]

    Guruswami, Venkatesan

    Hardness of Approximate Hypergraph Coloring Venkatesan Guruswami #3; Johan HÅ¡astad y Madhu Sudan #3

  17. Instabilities in the Nuclear Energy Density Functional

    E-Print Network [OSTI]

    M. Kortelainen; T. Lesinski

    2010-02-05T23:59:59.000Z

    In the field of Energy Density Functionals (EDF) used in nuclear structure and dynamics, one of the unsolved issues is the stability of the functional. Numerical issues aside, some EDFs are unstable with respect to particular perturbations of the nuclear ground-state density. The aim of this contribution is to raise questions about the origin and nature of these instabilities, the techniques used to diagnose and prevent them, and the domain of density functions in which one should expect a nuclear EDF to be stable.

  18. Low density, resorcinol-formaldehyde aerogels

    DOE Patents [OSTI]

    Pekala, R.W.

    1988-05-26T23:59:59.000Z

    The polycondensation of resorcinol with formaldehyde under alkaline conditions results in the formation of surface functionalized polymer ''clusters''. The covalent crosslinking of these ''clusters'' produces gels which when processed under supercritical conditions, produce low density, organic aerogels (density less than or equal to100 mg/cc; cell size less than or equal to0.1 microns). The aerogels are transparent,dark red in color and consist of interconnected colloidal-like particles with diameters of about 100 A/degree/. These aerogels may be further carbonized to form low density carbon foams with cell size of about 0.1 micron. 1 fig., 1 tab.

  19. Low density, resorcinol-formaldehyde aerogels

    DOE Patents [OSTI]

    Pekala, R.W.

    1989-10-10T23:59:59.000Z

    The polycondensation of resorcinol with formaldehyde under alkaline conditions results in the formation of surface functionalized polymer clusters. The covalent crosslinking of these clusters produces gels which when processed under supercritical conditions, produce low density, organic aerogels (density [<=]100 mg/cc; cell size [<=]0.1 microns). The aerogels are transparent, dark red in color and consist of interconnected colloidal-like particles with diameters of about 100 [angstrom]. These aerogels may be further carbonized to form low density carbon foams with cell size of about 0.1 micron.

  20. Low density, resorcinol-formaldehyde aerogels

    SciTech Connect (OSTI)

    Pekala, Richard W. (Pleasant Hill, CA)

    1989-01-01T23:59:59.000Z

    The polycondensation of resorcinol with formaldehyde under alkaline conditions results in the formation of surface functionalized polymer "clusters". The covalent crosslinking of these "clusters" produces gels which when processed under supercritical conditions, produce low density, organic aerogels (density .ltoreq.100 mg/cc; cell size .ltoreq.0.1 microns). The aerogels are transparent, dark red in color and consist of interconnected colloidal-like particles with diameters of about 100 .ANG.. These aerogels may be further carbonized to form low density carbon foams with cell size of about 0.1 micron.

  1. Low density, resorcinol-formaldehyde aerogels

    DOE Patents [OSTI]

    Pekala, Richard W. (Pleasant Hill, CA)

    1991-01-01T23:59:59.000Z

    The polycondensation of resorcinol with formaldehyde under alkaline conditions results in the formation of surface functionalized polymer "Clusters". The covalent crosslinking of these "clusters" produces gels which when processed under supercritical conditions, produce low density, organic aerogels (density.ltoreq.100 mg/cc; cell size .ltoreq.0.1 microns). The aerogels are transparent, dark red in color and consist of interconnected colloidal-like particles with diameters of about 100.circle.. These aerogels may be further carbonized to form low density carbon foams with cell size of about 0.1 micron.

  2. Density dependence of the room temperature thermal conductivity of atomic layer deposition-grown amorphous alumina (Al{sub 2}O{sub 3})

    SciTech Connect (OSTI)

    Gorham, Caroline S.; Gaskins, John T.; Hopkins, Patrick E., E-mail: phopkins@virginia.edu [Department of Mechanical and Aerospace Engineering, University of Virginia, Charlottesville, Virginia 22904 (United States); Parsons, Gregory N.; Losego, Mark D. [Department of Chemical and Biomolecular Engineering, North Carolina State University, Raleigh, North Carolina 27695 (United States)

    2014-06-23T23:59:59.000Z

    We report on the thermal conductivity of atomic layer deposition-grown amorphous alumina thin films as a function of atomic density. Using time domain thermoreflectance, we measure the thermal conductivity of the thin alumina films at room temperature. The thermal conductivities vary ?35% for a nearly 15% change in atomic density and are substrate independent. No density dependence of the longitudinal sound speeds is observed with picosecond acoustics. The density dependence of the thermal conductivity agrees well with a minimum limit to thermal conductivity model that is modified with a differential effective-medium approximation.

  3. Approximation Theorems Related to the Coupon Collector's Problem

    E-Print Network [OSTI]

    Pósfai, Anna

    2010-01-01T23:59:59.000Z

    This Ph.D. thesis concerns the version of the classical coupon collector's problem, when a collector samples with replacement a set of $n\\ge 2$ distinct coupons so that at each time any one of the $n$ coupons is drawn with the same probability $1/n$. For a fixed integer $m\\in\\{0,1,\\ldots,n-1\\}$, the coupon collector's waiting time $W_{n,m}$ is the random number of draws the collector performs until he acquires $n-m$ distinct coupons for the first time. The basic goal of the thesis is to approximate the distribution of the coupon collector's appropriately centered and normalized waiting time with well-known measures with high accuracy, and in many cases prove asymptotic expansions for the related probability distribution functions and mass functions. The approximating measures are chosen from five different measure families. Three of them -- the Poisson distributions, the normal distributions and the Gumbel-like distributions -- are probability measure families whose members occur as limiting laws in the limit...

  4. Approximation Algorithms for Wireless Link Scheduling with Flexible Data Rates

    E-Print Network [OSTI]

    Kesselheim, Thomas

    2012-01-01T23:59:59.000Z

    We consider scheduling problems in wireless networks with respect to flexible data rates. That is, more or less data can be transmitted per time depending on the signal quality, which is determined by the signal-to-interference-plus-noise ratio (SINR). Each wireless link has a utility function mapping SINR values to the respective data rates. We have to decide which transmissions are performed simultaneously and (depending on the problem variant) also which transmission powers are used. In the capacity-maximization problem, one strives to maximize the overall network throughput, i.e., the summed utility of all links. For arbitrary utility functions (not necessarily continuous ones), we present an O(log n)-approximation when having n communication requests. This algorithm is built on a constant-factor approximation for the special case of the respective problem where utility functions only consist of a single step. In other words, each link has an individual threshold and we aim at maximizing the number of lin...

  5. 1.85 Approximation for Min-Power Strong Connectivity

    E-Print Network [OSTI]

    Calinescu, Gruia

    2012-01-01T23:59:59.000Z

    Given a directed simple graph G=(V,E) and a nonnegative-valued cost function the power of a vertex u in a directed spanning subgraph H is given by the maximum cost of an arcs of H exiting u. The power of H is the sum of the power of its vertices. Power Assignment seeks to minimize the power of H while H satisfies some connectivity constraint. In this paper, we assume E is bidirected (for every directed edge e in E, the opposite edge exists and has the same cost), while H is required to be strongly connected. This is the original power assignment problem introduced by Chen and Huang in 1989, who proved that bidirected minimum spanning tree has approximation ratio at most 2 (this is tight). In Approx 2010, we introduced a Greedy approximation algorithm and claimed a ratio of 1.992. Here we improve the analysis to 1.85. The proof also shows that a natural linear programming relaxation, introduced by us in 2012, has the same 1.85 integrality gap.

  6. Cluster Before You Hallucinate: Approximating Node-Capacitated Network Design and Energy Efficient Routing

    E-Print Network [OSTI]

    Treuille, Adrien

    )-approximate with O(log4 n) congestion. This translates back to a O(log4+3 n)-approximation for the multicast energy-minimization)-approximate with O(log12 n) congestion, which translates back to a O(log12+5 n)-approximation for the unicast energy-minimizationCluster Before You Hallucinate: Approximating Node-Capacitated Network Design and Energy Efficient

  7. Alpha track density using a semiconductor detector

    E-Print Network [OSTI]

    Hamilton, Ian Scott

    1993-01-01T23:59:59.000Z

    of factors including variation in the initial dielectric thickness, and other undefined parameters. In addition, the resultant radon concentration reading is dependent upon the calibration factor used to interpret the track density reading. Obtaining...

  8. Breast Density and Cancer | GE Global Research

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

    Breast Cancer Awareness Series: Understanding Breast Density Click to email this to a friend (Opens in new window) Share on Facebook (Opens in new window) Click to share (Opens in...

  9. Magnetic fields and density functional theory

    SciTech Connect (OSTI)

    Salsbury Jr., Freddie

    1999-02-01T23:59:59.000Z

    A major focus of this dissertation is the development of functionals for the magnetic susceptibility and the chemical shielding within the context of magnetic field density functional theory (BDFT). These functionals depend on the electron density in the absence of the field, which is unlike any other treatment of these responses. There have been several advances made within this theory. The first of which is the development of local density functionals for chemical shieldings and magnetic susceptibilities. There are the first such functionals ever proposed. These parameters have been studied by constructing functionals for the current density and then using the Biot-Savart equations to obtain the responses. In order to examine the advantages and disadvantages of the local functionals, they were tested numerically on some small molecules.

  10. Density controlled carbon nanotube array electrodes

    DOE Patents [OSTI]

    Ren, Zhifeng F. (Newton, MA); Tu, Yi (Belmont, MA)

    2008-12-16T23:59:59.000Z

    CNT materials comprising aligned carbon nanotubes (CNTs) with pre-determined site densities, catalyst substrate materials for obtaining them and methods for forming aligned CNTs with controllable densities on such catalyst substrate materials are described. The fabrication of films comprising site-density controlled vertically aligned CNT arrays of the invention with variable field emission characteristics, whereby the field emission properties of the films are controlled by independently varying the length of CNTs in the aligned array within the film or by independently varying inter-tubule spacing of the CNTs within the array (site density) are disclosed. The fabrication of microelectrode arrays (MEAs) formed utilizing the carbon nanotube material of the invention is also described.

  11. Inverse diffusion from knowledge of power densities

    E-Print Network [OSTI]

    Bal, Guillaume; Monard, Francois; Triki, Faouzi

    2011-01-01T23:59:59.000Z

    This paper concerns the reconstruction of a diffusion coefficient in an elliptic equation from knowledge of several power densities. The power density is the product of the diffusion coefficient with the square of the modulus of the gradient of the elliptic solution. The derivation of such internal functionals comes from perturbing the medium of interest by acoustic (plane) waves, which results in small changes in the diffusion coefficient. After appropriate asymptotic expansions and (Fourier) transformation, this allow us to construct the power density of the equation point-wise inside the domain. Such a setting finds applications in ultrasound modulated electrical impedance tomography and ultrasound modulated optical tomography. We show that the diffusion coefficient can be uniquely and stably reconstructed from knowledge of a sufficient large number of power densities. Explicit expressions for the reconstruction of the diffusion coefficient are also provided. Such results hold for a large class of boundary...

  12. High density load bearing insulation peg

    DOE Patents [OSTI]

    Nowobilski, J.J.; Owens, W.J.

    1985-01-29T23:59:59.000Z

    A high density peg is disclosed which can support a large load and exhibits excellent thermal resistance produced by a method wherein the peg is made in compliance with specified conditions of time, temperature and pressure. 4 figs.

  13. Tweedie Family Densities: Methods of Evaluation

    E-Print Network [OSTI]

    Smyth, Gordon K.

    of Queensland, St Lucia, Q 4072, Australia. 2 University of Southern Queensland, Toowoomba, Q 4350, Australia. Tweedie family densities are characterised by power variance functions of the form V[µ] = µp , where p

  14. Shock compression of low-density foams

    SciTech Connect (OSTI)

    Holmes, N.C.

    1993-07-01T23:59:59.000Z

    Shock compression of very low density micro-cellular materials allows entirely new regimes of hot fluid states to be investigated experimentally. Using a two-stage light-gas gun to generate strong shocks, temperatures of several eV are readily achieved at densities of roughly 0.5--1 g/cm{sup 3} in large, uniform volumes. The conditions in these hot, expanded fluids are readily found using the Hugoniot jump conditions. We will briefly describe the basic methodology for sample preparation and experimental measurement of shock velocities. We present data for several materials over a range of initial densities. This paper will explore the applications of these methods for investigations of equations of state and phase diagrams, spectroscopy, and plasma physics. Finally, we discus the need for future work on these and related low-density materials.

  15. QCD Level Density from Maximum Entropy Method

    E-Print Network [OSTI]

    Shinji Ejiri; Tetsuo Hatsuda

    2005-09-24T23:59:59.000Z

    We propose a method to calculate the QCD level density directly from the thermodynamic quantities obtained by lattice QCD simulations with the use of the maximum entropy method (MEM). Understanding QCD thermodynamics from QCD spectral properties has its own importance. Also it has a close connection to phenomenological analyses of the lattice data as well as experimental data on the basis of hadronic resonances. Our feasibility study shows that the MEM can provide a useful tool to study QCD level density.

  16. Ligand identification using electron-density mapcorrelations

    SciTech Connect (OSTI)

    Terwilliger, Thomas C.; Adams, Paul D.; Moriarty, Nigel W.; Cohn,Judith D.

    2006-12-01T23:59:59.000Z

    A procedure for the identification of ligands bound incrystal structuresof macromolecules is described. Two characteristics ofthe density corresponding to a ligand are used in the identificationprocedure. One is the correlation of the ligand density with each of aset of test ligands after optimization of the fit of that ligand to thedensity. The other is the correlation of a fingerprint of the densitywith the fingerprint of model density for each possible ligand. Thefingerprints consist of an ordered list of correlations of each the testligands with the density. The two characteristics are scored using aZ-score approach in which the correlations are normalized to the mean andstandard deviation of correlations found for a variety of mismatchedligand-density pairs, so that the Z scores are related to the probabilityof observing a particular value of the correlation by chance. Theprocedure was tested with a set of 200 of the most commonly found ligandsin the Protein Data Bank, collectively representing 57 percent of allligands in the Protein Data Bank. Using a combination of these twocharacteristics of ligand density, ranked lists of ligand identificationswere made for representative (F-o-F-c) exp(i phi(c)) difference densityfrom entries in the Protein Data Bank. In 48 percent of the 200 cases,the correct ligand was at the top of the ranked list of ligands. Thisapproach may be useful in identification of unknown ligands in newmacromolecular structures as well as in the identification of whichligands in a mixture have bound to a macromolecule.

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

    SciTech Connect (OSTI)

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

    2014-05-14T23:59:59.000Z

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

  18. Kudzu (Pueraria montana) community responses to herbicides, burning, and high-density loblolly pine

    SciTech Connect (OSTI)

    T.B. Harrington; L.T. Rader-Dixon; J.W. Taylor, Jr.

    2003-11-01T23:59:59.000Z

    Kudzu is an aggressive, nonnative vine that currently dominates an estimated 810,000 ha of mesic forest communities in the eastern United States. To test an integrated method of weed control, abundances of kudzu and other plant species were compared during 4 yr after six herbicide treatments (clopyralid, triclopyr, metsulfuron, picloram 1 2,4-D, tebuthiuron, and a nonsprayed check), in which loblolly pines were planted at three densities (0, 1, and 4 seedlings m22) to induce competition and potentially delay kudzu recovery. This split-plot design was replicated on each of the four kudzu-dominated sites near Aiken, SC. Relative light intensity (RLI) and soil water content (SWC) were measured periodically to identify mechanisms of interference among plant species. Two years after treatment (1999), crown coverage of kudzu averaged , 2% in herbicide plots compared with 93% in the nonsprayed check, and these differences were maintained through 2001, except in clopyralid plots where kudzu cover increased to 15%. In 2001, pine interference was associated with 33, 56, and 67% reductions in biomass of kudzu, blackberry, and herbaceous vegetation, respectively. RLI in kudzu-dominated plots (4 to 15% of full sun) generally was less than half that of herbicide-treated plots. SWC was greatest in tebuthiuron plots, where total vegetation cover averaged 26% compared with 77 to 111% in other plots. None of the treatments eradicated kudzu, but combinations of herbicides and induced pine competition delayed its recovery.

  19. Approximate Weighted Matching On Emerging Manycore and Multithreaded Architectures

    SciTech Connect (OSTI)

    Halappanavar, Mahantesh; Feo, John T.; Villa, Oreste; Tumeo, Antonino; Pothen, Alex

    2012-11-30T23:59:59.000Z

    Graph matching is a prototypical combinatorial problem with many applications in computer science and scientific computing, but algorithms for computing optimal matchings are challenging to parallelize. Approximate matching algorithms provide an alternate route for parallelization, and in many contexts compute near-optimal matchings for large-scale graphs. We present sharedmemory parallel implementations for computing half-approximate weighted matching on state-of-the-art multicore (Intel Nehalem and AMD Magny-Cours), manycore (Nvidia Tesla and Nvidia Fermi) and massively multithreaded (Cray XMT) platforms. We provide two implementations: the first implementation uses shared work queues, and is suited to all these platforms; the second implementation is based on dataflow principles, and exploits the architectural features of the Cray XMT. Using a carefully chosen dataset that exhibits characteristics from a wide range of real-world applications, we show scalable performance across different platforms. In particular, for one instance of the input, an R-MAT graph (RMAT-G), we show speedups of: about 32 on 48 cores of an AMD Magny-Cours; 7 on 8 cores of Intel Nehalem; 3 on Nvidia Tesla and 10 on Nvidia Fermi relative to one core of Intel Nehalem; and 60 on 128 processors of Cray XMT. We demonstrate good weak and strong scaling for graphs with up to a billion edges using up to 12, 800 threads. Given the breadth of this work, we focus on simplicity and portability of software rather than excessive fine-tuning for each platform. To the best of our knowledge, this is the first such large-scale study of the half-approximate weighted matching problem on shared-memory platforms. Driven by the critical enabling role of combinatorial algorithms such as matching in scientific computing and the emergence of informatics applications, there is a growing demand to support irregular computations on current and future computing platforms. In this context, we evaluate the capability of emerging multithreaded platforms to tolerate latency induced by irregular memory access patterns, and to support fine-grained parallelism via light-weight synchronization mechanisms. By contrasting the architectural features of these platforms against the Cray XMT, which is specifically designed to support irregular memory-intensive applications, we delineate the impact of these choices on performance.

  20. Electron density measurements in a pulse-repetitive microwave discharge in air

    SciTech Connect (OSTI)

    Nikolic, M.; Popovic, S.; Vuskovic, L. [Department of Physics, Center for Accelerator Science, Old Dominion University, Norfolk, Virginia 23529 (United States); Herring, G. C.; Exton, R. J. [NASA Langley Research Center, Hampton, Virginia 23681 (United States)

    2011-12-01T23:59:59.000Z

    We have developed a technique for absolute measurements of electron density in pulse-repetitive microwave discharges in air. The technique is based on the time-resolved absolute intensity of a nitrogen spectral band belonging to the Second Positive System, the kinetic model and the detailed particle balance of the N{sub 2}C{sup 3}{Pi}{sub u} ({nu} = 0) state. This new approach bridges the gap between two existing electron density measurement methods (Langmuir probe and Stark broadening). The electron density is obtained from the time-dependent rate equation for the population of N{sub 2}C{sup 3}{Pi}{sub u} ({nu} = 0) using recorded waveforms of the absolute C{sup 3}{Pi}{sub u}{yields}B{sup 3}{Pi}{sub g} (0-0) band intensity, the forward and reflected microwave power density. Measured electron density waveforms using numerical and approximated analytical methods are presented for the case of pulse repetitive planar surface microwave discharge at the aperture of a horn antenna covered with alumina ceramic plate. The discharge was generated in air at 11.8 Torr with a X-band microwave generator using 3.5 {mu}s microwave pulses at peak power of 210 kW. In this case, we were able to time resolve the electron density within a single 3.5 {mu}s pulse. We obtained (9.0 {+-} 0.6) x 10{sup 13} cm{sup -3} for the peak and (5.0 {+-} 0.6) x 10{sup 13} cm{sup -3} for the pulse-average electron density. The technique presents a convenient, non-intrusive diagnostic method for local, time-defined measurements of electron density in short duration discharges near atmospheric pressures.

  1. The Chemistry of Atherogenic High Density Lipoprotein 

    E-Print Network [OSTI]

    Moore, D'Vesharronne J.

    2012-07-16T23:59:59.000Z

    , and understanding the biological functions of a novel atherogenic HDL phenotype in individuals with CAD. Through the implementation of the aforementioned methodologies, new isoforms of apoC-I were identified. MALDI-MS, detected a shifting of approximately 90 Da...

  2. Approximate Message Passing with Restricted Boltzmann Machine Priors

    E-Print Network [OSTI]

    Tramel, Eric W; Krzakala, Florent

    2015-01-01T23:59:59.000Z

    Approximate Message Passing (AMP) has been shown to be an excellent statistical approach to signal inference and compressed sensing problem. The AMP framework provides modularity in the choice of signal prior; here we propose a hierarchical form of the Gauss-Bernouilli prior which utilizes a Restricted Boltzmann Machine (RBM) trained on the signal support to push reconstruction performance beyond that of simple iid priors for signals whose support can be well represented by a trained binary RBM. We present and analyze two methods of RBM factorization and demonstrate how these affect signal reconstruction performance within our proposed algorithm. Finally, using the MNIST handwritten digit dataset, we show experimentally that using an RBM allows AMP to approach oracle-support performance.

  3. Fast quantum algorithms for approximating some irreducible representations of groups

    E-Print Network [OSTI]

    Stephen P. Jordan

    2009-04-21T23:59:59.000Z

    We consider the quantum complexity of estimating matrix elements of unitary irreducible representations of groups. For several finite groups including the symmetric group, quantum Fourier transforms yield efficient solutions to this problem. Furthermore, quantum Schur transforms yield efficient solutions for certain irreducible representations of the unitary group. Beyond this, we obtain poly(n)-time quantum algorithms for approximating matrix elements from all the irreducible representations of the alternating group A_n, and all the irreducible representations of polynomial highest weight of U(n), SU(n), and SO(n). These quantum algorithms offer exponential speedup in worst case complexity over the fastest known classical algorithms. On the other hand, we show that average case instances are classically easy, and that the techniques analyzed here do not offer a speedup over classical computation for the estimation of group characters.

  4. Particle-particle random phase approximation applied to Beryllium isotopes

    E-Print Network [OSTI]

    Guillaume Blanchon; Nicole Vinh Mau; Angela Bonaccorso; Marc Dupuis; Nathalie Pillet

    2010-07-16T23:59:59.000Z

    This work is dedicated to the study of even-even 8-14 Be isotopes using the particle-particle Random Phase Approximation that accounts for two-body correlations in the core nucleus. A better description of energies and two-particle amplitudes is obtained in comparison with models assuming a neutron closed-shell (or subshell) core. A Wood-Saxon potential corrected by a phenomenological particle-vibration coupling term has been used for the neutron-core interaction and the D1S Gogny force for the neutron-neutron interaction. Calculated ground state properties as well as excited state ones are discussed and compared to experimental data. In particular, results suggest the same 2s_1/2-1p_1/2 shell inversion in 13Be as in 11Be.

  5. Pion - Nucleon Bremsstrahlung beyond the Soft-Photon approximation

    E-Print Network [OSTI]

    A. Mariano

    2000-04-06T23:59:59.000Z

    A dynamical model based on effective Lagrangians is proposed to describe the bremsstrahlung reaction $ \\pi N \\to \\pi N \\gamma$ at low energies. The $\\Delta(1232)$ degrees of freedom are incorporated in a way consistent with both, electromagnetic gauge invariance and invariance under contact transformations. The model also includes the initial and final state rescattering of hadrons via a T-matrix with off the momentum-shell effects. The double differential distribution of photons is computed for three different T-matrix models and the results are compared with the soft photon approximation, and with experimental data. The aim of this analysis is to test the off-shell behaviour of the different T-matrices under consideration. Finally an alternative simpler dynamical model that incorporates the unstable character of the isobar-$\\Delta(1232)$ through a complex mass, is presented. As we will see it is suitable for the study of the magnetic moment of the resonance.

  6. Shear Viscosity in the Post-quasistatic Approximation

    E-Print Network [OSTI]

    C. Peralta; L. Rosales; B. Rodrí guez-Mueller; W. Barreto

    2010-04-20T23:59:59.000Z

    We apply the post-quasi--static approximation, an iterative method for the evolution of self-gravitating spheres of matter, to study the evolution of anisotropic non-adiabatic radiating and dissipative distributions in General Relativity. Dissipation is described by viscosity and free-streaming radiation, assuming an equation of state to model anisotropy induced by the shear viscosity. We match the interior solution, in non-comoving coordinates, with the Vaidya exterior solution. Two simple models are presented, based on the Schwarzschild and Tolman VI solutions, in the non--adiabatic and adiabatic limit. In both cases the eventual collapse or expansion of the distribution is mainly controlled by the anisotropy induced by the viscosity.

  7. In order to both assess the accuracy of the frozen-core approximation and to compare en-ergy results for the EXX-OEP with the standard local density approximation (LDA), we

    E-Print Network [OSTI]

    Holzwarth, Natalie

    , RMP 80, 3 (2008). [2] P. Bl¨ochl, PRB 50, 17953 (1994); N. A. W. Holzwarth et al, PRB 55, 2005 (1997). [3] J. Paier et al, JCP 122, 234102 (2005). [4] R. A. Hyman et al, PRB 62, 15521 (2000). [5] S. K

  8. Nuclear energy density optimization: Shell structure

    E-Print Network [OSTI]

    M. Kortelainen; J. McDonnell; W. Nazarewicz; E. Olsen; P. -G. Reinhard; J. Sarich; N. Schunck; S. M. Wild; D. Davesne; J. Erler; A. Pastore

    2014-04-28T23:59:59.000Z

    Nuclear density functional theory is the only microscopical theory that can be applied throughout the entire nuclear landscape. Its key ingredient is the energy density functional. In this work, we propose a new parameterization UNEDF2 of the Skyrme energy density functional. The functional optimization is carried out using the POUNDerS optimization algorithm within the framework of the Skyrme Hartree-Fock-Bogoliubov theory. Compared to the previous parameterization UNEDF1, restrictions on the tensor term of the energy density have been lifted, yielding a very general form of the energy density functional up to second order in derivatives of the one-body density matrix. In order to impose constraints on all the parameters of the functional, selected data on single-particle splittings in spherical doubly-magic nuclei have been included into the experimental dataset. The agreement with both bulk and spectroscopic nuclear properties achieved by the resulting UNEDF2 parameterization is comparable with UNEDF1. While there is a small improvement on single-particle spectra and binding energies of closed shell nuclei, the reproduction of fission barriers and fission isomer excitation energies has degraded. As compared to previous UNEDF parameterizations, the parameter confidence interval for UNEDF2 is narrower. In particular, our results overlap well with those obtained in previous systematic studies of the spin-orbit and tensor terms. UNEDF2 can be viewed as an all-around Skyrme EDF that performs reasonably well for both global nuclear properties and shell structure. However, after adding new data aiming to better constrain the nuclear functional, its quality has improved only marginally. These results suggest that the standard Skyrme energy density has reached its limits and significant changes to the form of the functional are needed.

  9. Tracing spiral density waves in M81

    E-Print Network [OSTI]

    S. Kendall; R. C. Kennicutt; C. Clarke; M. D. Thornley

    2008-04-15T23:59:59.000Z

    We use SPITZER IRAC 3.6 and 4.5micron near infrared data from the Spitzer Infrared Nearby Galaxies Survey (SINGS), optical B, V and I and 2MASS Ks band data to produce mass surface density maps of M81. The IRAC 3.6 and 4.5micron data, whilst dominated by emission from old stellar populations, is corrected for small-scale contamination by young stars and PAH emission. The I band data are used to produce a mass surface density map by a B-V colour-correction, following the method of Bell and de Jong. We fit a bulge and exponential disc to each mass map, and subtract these components to reveal the non-axisymmetric mass surface density. From the residual mass maps we are able to extract the amplitude and phase of the density wave, using azimuthal profiles. The response of the gas is observed via dust emission in the 8micron IRAC band, allowing a comparison between the phase of the stellar density wave and gas shock. The relationship between this angular offset and radius suggests that the spiral structure is reasonably long lived and allows the position of corotation to be determined.

  10. High power density solid oxide fuel cells

    SciTech Connect (OSTI)

    Pham, Ai Quoc; Glass, Robert S.

    2004-10-12T23:59:59.000Z

    A method for producing ultra-high power density solid oxide fuel cells (SOFCs). The method involves the formation of a multilayer structure cells wherein a buffer layer of doped-ceria is deposited intermediate a zirconia electrolyte and a cobalt iron based electrode using a colloidal spray deposition (CSD) technique. For example, a cobalt iron based cathode composed of (La,Sr)(Co,Fe)O (LSCF) may be deposited on a zirconia electrolyte via a buffer layer of doped-ceria deposited by the CSD technique. The thus formed SOFC have a power density of 1400 mW/cm.sup.2 at 600.degree. C. and 900 mW/cm.sup.2 at 700.degree. C. which constitutes a 2-3 times increased in power density over conventionally produced SOFCs.

  11. Statistical approach to nuclear level density

    SciTech Connect (OSTI)

    Sen'kov, R. A.; Horoi, M. [Department of Physics, Central Michigan University, Mount Pleasant, MI 48859 (United States); Zelevinsky, V. G. [Department of Physics and Astronomy and National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824-1321 (United States)

    2014-10-15T23:59:59.000Z

    We discuss the level density in a finite many-body system with strong interaction between the constituents. Our primary object of applications is the atomic nucleus but the same techniques can be applied to other mesoscopic systems. We calculate and compare nuclear level densities for given quantum numbers obtained by different methods, such as nuclear shell model (the most successful microscopic approach), our main instrument - moments method (statistical approach), and Fermi-gas model; the calculation with the moments method can use any shell-model Hamiltonian excluding the spurious states of the center-of-mass motion. Our goal is to investigate statistical properties of nuclear level density, define its phenomenological parameters, and offer an affordable and reliable way of calculation.

  12. Fabrication of low density ceramic material

    DOE Patents [OSTI]

    Meek, T.T.; Blake, R.D.; Sheinberg, H.

    1985-01-01T23:59:59.000Z

    A precursor mixture and a method of making a low-density ceramic structural material are disclosed. The precursor mixture includes hollow microballoons, typically made of glass, together with a cementing agent capable of being cured by microwave irradiation. A preferred cementing agent is liquid hydrated potassium silicate, which is mixed with the glass microballoons to form a slurry. Upon irradiation the potassium silicate is dehydrated to form a solid porous matrix in which the microballoons are evenly distributed. Ground glass or other filling agents may be included in the slurry to enhance the properties of the final product. Low-density structural ceramics having densities on the order of 0.1 to 0.3 are obtained.

  13. New Density Estimation Methods for Charged Particle Beams With Applications to Microbunching Instability

    SciTech Connect (OSTI)

    Balsa Terzic, Gabriele Bassi

    2011-07-01T23:59:59.000Z

    In this paper we discuss representations of charge particle densities in particle-in-cell (PIC) simulations, analyze the sources and profiles of the intrinsic numerical noise, and present efficient methods for their removal. We devise two alternative estimation methods for charged particle distribution which represent significant improvement over the Monte Carlo cosine expansion used in the 2d code of Bassi, designed to simulate coherent synchrotron radiation (CSR) in charged particle beams. The improvement is achieved by employing an alternative beam density estimation to the Monte Carlo cosine expansion. The representation is first binned onto a finite grid, after which two grid-based methods are employed to approximate particle distributions: (i) truncated fast cosine transform (TFCT); and (ii) thresholded wavelet transform (TWT). We demonstrate that these alternative methods represent a staggering upgrade over the original Monte Carlo cosine expansion in terms of efficiency, while the TWT approximation also provides an appreciable improvement in accuracy. The improvement in accuracy comes from a judicious removal of the numerical noise enabled by the wavelet formulation. The TWT method is then integrated into Bassi's CSR code, and benchmarked against the original version. We show that the new density estimation method provides a superior performance in terms of efficiency and spatial resolution, thus enabling high-fidelity simulations of CSR effects, including microbunching instability.

  14. Precise and Accurate Density Determination of Explosives Using Hydrostatic Weighing

    SciTech Connect (OSTI)

    B. Olinger

    2005-07-01T23:59:59.000Z

    Precise and accurate density determination requires weight measurements in air and water using sufficiently precise analytical balances, knowledge of the densities of air and water, knowledge of thermal expansions, availability of a density standard, and a method to estimate the time to achieve thermal equilibrium with water. Density distributions in pressed explosives are inferred from the densities of elements from a central slice.

  15. Density matrix of black hole radiation

    E-Print Network [OSTI]

    Lasma Alberte; Ram Brustein; Andrei Khmelnitsky; A. J. M. Medved

    2015-02-09T23:59:59.000Z

    Hawking's model of black hole evaporation is not unitary and leads to a mixed density matrix for the emitted radiation, while the Page model describes a unitary evaporation process in which the density matrix evolves from an almost thermal state to a pure state. We compare a recently proposed model of semiclassical black hole evaporation to the two established models. In particular, we study the density matrix of the outgoing radiation and determine how the magnitude of the off-diagonal corrections differs for the three frameworks. For Hawking's model, we find power-law corrections to the two-point functions that induce exponentially suppressed corrections to the off-diagonal elements of the full density matrix. This verifies that the Hawking result is correct to all orders in perturbation theory and also allows one to express the full density matrix in terms of the single-particle density matrix. We then consider the semiclassical theory for which the corrections, being non-perturbative from an effective field-theory perspective, are much less suppressed and grow monotonically in time. In this case, the R\\'enyi entropy for the outgoing radiation is shown to grow linearly at early times; but this growth slows down and the entropy eventually starts to decrease at the Page time. In addition to comparing models, we emphasize the distinction between the state of the radiation emitted from a black hole, which is highly quantum, and that of the radiation emitted from a typical classical black body at the same temperature.

  16. Error Analysis in Nuclear Density Functional Theory

    E-Print Network [OSTI]

    Nicolas Schunck; Jordan D. McDonnell; Jason Sarich; Stefan M. Wild; Dave Higdon

    2014-07-11T23:59:59.000Z

    Nuclear density functional theory (DFT) is the only microscopic, global approach to the structure of atomic nuclei. It is used in numerous applications, from determining the limits of stability to gaining a deep understanding of the formation of elements in the universe or the mechanisms that power stars and reactors. The predictive power of the theory depends on the amount of physics embedded in the energy density functional as well as on efficient ways to determine a small number of free parameters and solve the DFT equations. In this article, we discuss the various sources of uncertainties and errors encountered in DFT and possible methods to quantify these uncertainties in a rigorous manner.

  17. Low density, microcellular foams, preparation, and articles

    DOE Patents [OSTI]

    Young, A.T.

    1982-03-03T23:59:59.000Z

    A microcellular low-density foam of poly(4-methyl-1-pentene) particularly useful for forming targets for inertial confinement fusion has been developed. Articles made from the foam have been machined to tolerances of 0.0001 inch, although the densities of the fragile foam are low (about 10 to about 100 mg/cc) and the cell sizes are small (about 10 to about 30 ..mu..m). Methods for forming the foam and articles are given. The yield strength of the foam of the invention is higher than was obtained in other structures of this same material.

  18. Low density, microcellular foams, preparation, and articles

    DOE Patents [OSTI]

    Young, Ainslie T. (Los Alamos, NM); Marsters, Robert G. (Jemez Springs, NM); Moreno, Dawn K. (Espanola, NM)

    1984-01-01T23:59:59.000Z

    A microcellular low density foam of poly(4-methyl-1-pentene) which is particularly useful for forming targets for inertial confinement fusion has been developed. Articles made from the foam have been machined to tolerances of 0.0001 inch, although the densities of the fragile foam are low (about 10 to about 100 mg/cc) and the cell sizes are small (about 10 to about 30 .mu.m). Methods for forming the foam and articles are given; and the yield strength of the foam of the invention is higher than was obtained in other structures of this same material.

  19. Configuration Interactions Constrained by Energy Density Functionals

    E-Print Network [OSTI]

    B. Alex Brown; Angelo Signoracci; Morten Hjorth-Jensen

    2010-09-24T23:59:59.000Z

    A new method for constructing a Hamiltonian for configuration interaction calculations with constraints to energies of spherical configurations obtained with energy-density-functional (EDF) methods is presented. This results in a unified model that reproduced the EDF binding-energy in the limit of single-Slater determinants, but can also be used for obtaining energy spectra and correlation energies with renormalized nucleon-nucleon interactions. The three-body and/or density-dependent terms that are necessary for good nuclear saturation properties are contained in the EDF. Applications to binding energies and spectra of nuclei in the region above 208Pb are given.

  20. Level densities of transitional Sm nuclei

    SciTech Connect (OSTI)

    Capote, R.; Ventura, A.; Cannata, F.; Quesada, J.M. [Nuclear Data Section, International Atomic Energy Agency, Vienna (Austria); Ente Nuove Tecnologie, Energia e Ambiente, and Istituto Nazionale di Fisica Nucleare, Bologna (Italy); Dipartimento di Fisica dell Universita and Istituto Nazionale di Fisica Nucleare, Bologna (Italy); Departamento de Fisica Atomica, Molecular y Nuclear, Universidad de Sevilla (Spain)

    2005-06-01T23:59:59.000Z

    Experimentally determined level densities of the transitional isotopes {sup 148,149,150,152}Sm at excitation energies below and around the neutron binding energy are compared with microcanonical calculations based on a Monte Carlo approach to noncollective level densities, folded with a collective enhancement estimated in the frame of the interacting boson model (IBM). The IBM parameters are adjusted so as to reproduce the low-lying discrete levels of both parities, with the exception of the odd-mass nucleus, {sup 149}Sm, where complete decoupling of the unpaired neutron from the core is assumed.

  1. A 1:52-Approximation Algorithm for the Uncapacitated Facility Location Problem

    E-Print Network [OSTI]

    Ye, Yinyu

    A 1:52-Approximation Algorithm for the Uncapacitated Facility Location Problem Mohammad Mahdian #3: Approximation Algorithms for UFLP 2 Algorithm In [5], Jain, Mahdian, and Saberi proposed a greedy algorithm

  2. Gaussian approximations and multiplier bootstrap for maxima of sums of high-dimensional random vectors

    E-Print Network [OSTI]

    Chetverikov, Denis

    We derive a Gaussian approximation result for the maximum of a sum of high-dimensional random vectors. Specifically, we establish conditions under which the distribution of the maximum is approximated by that of the maximum ...

  3. Pauling bond strength, bond length and electron density distribution

    SciTech Connect (OSTI)

    Gibbs, Gerald V.; Ross, Nancy L.; Cox, David F.; Rosso, Kevin M.; Iversen, Bo B.; Spackman, M. A.

    2014-01-18T23:59:59.000Z

    A power law regression equation, = 1.46(/r)-0.19, connecting the average experimental bond lengths, , with the average accumulation of the electron density at the bond critical point, , between bonded metal M and oxygen atoms, determined at ambient conditions for oxide crystals, where r is the row number of the M atom, is similar to the regression equation R(M-O) = 1.39(?(rc)/r)-0.21 determined for three perovskite crystals for pressures as high as 80 GPa. The two equations are also comparable with those, = 1.43(/r)-0.21, determined for a large number of oxide crystals at ambient conditions and = 1.39(/r)-0.22, determined for geometry optimized hydroxyacid molecules, that connect the bond lengths to the average Pauling electrostatic bond strength, , for the M-O bonded interactions. On the basis of the correspondence between the two sets of equations connecting ?(rc) and the Pauling bond strength s with bond length, it appears that Pauling’s simple definition of bond strength closely mimics the accumulation of the electron density between bonded pairs of atoms. The similarity of the expressions for the crystals and molecules is compelling evidence that the M-O bonded interactions for the crystals and molecules 2 containing the same bonded interactions are comparable. Similar expressions, connecting bond lengths and bond strength, have also been found to hold for fluoride, nitride and sulfide molecules and crystals. The Brown-Shannon bond valence, ?, power law expression ? = [R1/(R(M-O)]N that has found wide use in crystal chemistry, is shown to be connected to a more universal expression determined for oxides and the perovskites, = r[(1.41)/]4.76, demonstrating that the bond valence for a bonded interaction is likewise closely connected to the accumulation of the electron density between the bonded atoms. Unlike the Brown-Shannon expression, it is universal in that it holds for the M-O bonded interactions for a relatively wide range of M atoms of the periodic table. The power law equation determined for the oxide crystals at ambient conditions is similar to the power law expression = r[1.46/]5.26 determined for the perovskites at pressures as high as 80 GPa, indicating that the intrinsic connection between R(M-O) and ?(rc) that holds at ambient conditions also holds, to a first approximation, at high pressures.

  4. Moment Closure Approximations in a Genetic Negative Feedback Circuit

    E-Print Network [OSTI]

    Mohammad Soltani; Cesar Vargas; Niraj Kumar; Rahul Kulkarni; Abhyudai Singh

    2014-05-15T23:59:59.000Z

    Auto-regulation, a process wherein a protein negatively regulates its own production, is a common motif in gene expression networks. Negative feedback in gene expression plays a critical role in buffering intracellular fluctuations in protein concentrations around optimal value. Due to the nonlinearities present in these feedbacks, moment dynamics are typically not closed, in the sense that the time derivative of the lower-order statistical moments of the protein copy number depends on high-order moments. Moment equations are closed by expressing higher-order moments as nonlinear functions of lower-order moments, a technique commonly referred to as moment closure. Here, we compare the performance of different moment closure techniques. Our results show that the commonly used closure method, which assumes a priori that the protein population counts are normally distributed, performs poorly. In contrast, conditional derivative matching, a novel closure scheme proposed here provides a good approximation to the exact moments across different parameter regimes. In summary our study provides a new moment closure method for studying stochastic dynamics of genetic negative feedback circuits, and can be extended to probe noise in more complex gene networks.

  5. Self-interaction corrections in density functional theory

    SciTech Connect (OSTI)

    Tsuneda, Takao, E-mail: ttsuneda@yamanashi.ac.jp [Fuel Cell Nanomaterials Center, University of Yamanashi, Kofu 400-0021 (Japan)] [Fuel Cell Nanomaterials Center, University of Yamanashi, Kofu 400-0021 (Japan); Hirao, Kimihiko [Computational Chemistry Unit, RIKEN Advanced Institute for Computational Science, Kobe, Hyogo 650-0047 (Japan)] [Computational Chemistry Unit, RIKEN Advanced Institute for Computational Science, Kobe, Hyogo 650-0047 (Japan)

    2014-05-14T23:59:59.000Z

    Self-interaction corrections for Kohn-Sham density functional theory are reviewed for their physical meanings, formulations, and applications. The self-interaction corrections get rid of the self-interaction error, which is the sum of the Coulomb and exchange self-interactions that remains because of the use of an approximate exchange functional. The most frequently used self-interaction correction is the Perdew-Zunger correction. However, this correction leads to instabilities in the electronic state calculations of molecules. To avoid these instabilities, several self-interaction corrections have been developed on the basis of the characteristic behaviors of self-interacting electrons, which have no two-electron interactions. These include the von Weizsäcker kinetic energy and long-range (far-from-nucleus) asymptotic correction. Applications of self-interaction corrections have shown that the self-interaction error has a serious effect on the states of core electrons, but it has a smaller than expected effect on valence electrons. This finding is supported by the fact that the distribution of self-interacting electrons indicates that they are near atomic nuclei rather than in chemical bonds.

  6. Maps of current density using density-functional methods A. Soncini,1,a

    E-Print Network [OSTI]

    Helgaker, Trygve

    , University of Durham, South Road, Durham DH1 3LE, United Kingdom Received 22 May 2008; accepted 17 July 2008 are compared and integration of the current densities to yield shielding constants is performed. In general of induced current density in molecules. © 2008 American Institute of Physics. DOI: 10.1063/1.2969104 I

  7. On the Determination of the Mean Cosmic Matter Density and the Amplitude of Density Fluctuations

    E-Print Network [OSTI]

    Thomas H. Reiprich

    2002-07-02T23:59:59.000Z

    The cosmological implications from a new estimate of the local X-ray galaxy cluster abundance are summarized. The results are then compared to independent observations. It is suggested that `low' values for the mean cosmic matter density and the amplitude of mass density fluctuations currently do not appear unreasonable observationally.

  8. 3D Scattered Data Approximation with Adaptive Compactly Supported Radial Basis Functions

    E-Print Network [OSTI]

    Kazhdan, Michael

    ¾ ¼ ½ indicating the confidence of � . Our aim is to construct a function Ý ´�µ such that its zero level-set ´�µ , � �, we construct ´�µ approximating � in the follow- ing form suggested in [27] ¾ ´�µ · ´ � µ approximation of �. For each approximation center , we construct ´�µ as a local quadratic approximation of �

  9. High power density supercapacitors using locally aligned carbon nanotube electrodes

    E-Print Network [OSTI]

    Du, C S; Yeh, J; Pan, Ning

    2005-01-01T23:59:59.000Z

    4484/16/4/003 High power density supercapacitors usingproduced very high speci?c power density of about 30 kW kg ?manufacturing of high power density supercapacitors and

  10. High-power-density spot cooling using bulk thermoelectrics

    E-Print Network [OSTI]

    Zhang, Y; Shakouri, A; Zeng, G H

    2004-01-01T23:59:59.000Z

    model, the cooling power densities of the devices can alsothe cooling power densities 2–24 times. Experimentally, the14 4 OCTOBER 2004 High-power-density spot cooling using bulk

  11. Mechanical constraints enhance electrical energy densities of soft dielectrics

    E-Print Network [OSTI]

    Ferrari, Silvia

    Mechanical constraints enhance electrical energy densities of soft dielectrics Lin Zhang, Qiming, the dielectric will breakdown electrically. The breakdown limits the electrical energy density of the dielectric electric fields and thus increase their electrical energy densities. The mechanical constraints suppress

  12. Density waves in the Calogero model - revisited

    SciTech Connect (OSTI)

    Bardek, V. [Rudjer Boskovic Institute, Bijenicka c.54, HR-10002 Zagreb (Croatia)], E-mail: bardek@irb.hr; Feinberg, J. [Department of Physics, University of Haifa at Oranim, Tivon 36006 (Israel); Department of Physics, Technion-Israel Inst. of Technology, Haifa 32000 (Israel); KITP, University of California, Santa Barbara, CA 93106-4030 (United States)], E-mail: joshua@physics.technion.ac.il; Meljanac, S. [Rudjer Boskovic Institute, Bijenicka c.54, HR-10002 Zagreb (Croatia)], E-mail: meljanac@irb.hr

    2010-03-15T23:59:59.000Z

    The Calogero model bears, in the continuum limit, collective excitations in the form of density waves and solitary modulations of the density of particles. This sector of the spectrum of the model was investigated, mostly within the framework of collective-field theory, by several authors, over the past 15 years or so. In this work we shall concentrate on periodic solutions of the collective BPS-equation (also known as 'finite amplitude density waves'), as well as on periodic solutions of the full static variational equations which vanish periodically (also known as 'large amplitude density waves'). While these solutions are not new, we feel that our analysis and presentation add to the existing literature, as we explain in the text. In addition, we show that these solutions also occur in a certain two-family generalization of the Calogero model, at special points in parameter space. A compendium of useful identities associated with Hilbert transforms, including our own proofs of these identities, appears in Appendix A. In Appendix B we also elucidate in the present paper some fine points having to do with manipulating Hilbert-transforms, which appear ubiquitously in the collective field formalism. Finally, in order to make this paper self-contained, we briefly summarize in Appendix C basic facts about the collective field formulation of the Calogero model.

  13. Density-Functional Theory for Complex Fluids

    E-Print Network [OSTI]

    Wu, Jianzhong

    . This generic methodology is built upon a mathematical theorem that states, for an equilibrium system at a given modeling of the microscopic struc- tures and phase behavior of soft-condensed matter. The methodol- ogy to the one-body density profile Grand potential: the free energy of an open system at fixed volume

  14. Photovoltaic retinal prosthesis with high pixel density

    E-Print Network [OSTI]

    Palanker, Daniel

    Photovoltaic retinal prosthesis with high pixel density Keith Mathieson1,4 , James Loudin1 to stimulating electrodes via intraocular cables. We present a photovoltaic subretinal prosthesis, in which pixel, demonstrating the possibility of a fully integrated photovoltaic retinal prosthesis with high

  15. Methods to enhance blanket power density

    SciTech Connect (OSTI)

    Hsu, P.Y.; Miller, L.G.; Bohn, T.S.; Deis, G.A.; Longhurst, G.R.; Masson, L.S.; Wessol, D.E.; Abdou, M.A.

    1982-06-01T23:59:59.000Z

    The overall objective of this task is to investigate the extent to which the power density in the FED/INTOR breeder blanket test modules can be enhanced by artificial means. Assuming a viable approach can be developed, it will allow advanced reactor blanket modules to be tested on FED/INTOR under representative conditions.

  16. Durable high-density data storage

    SciTech Connect (OSTI)

    Stutz, R.A.; Lamartine, B.C.

    1996-09-01T23:59:59.000Z

    This paper will discuss the Focus Ion Beam (FIB) milling process, media life considerations, and methods of reading the micromilled data. The FIB process for data storage provides a new non-magnetic storage method for archiving large amounts of data. The process stores data on robust materials such as steel, silicon, and gold coated silicon. The storage process was developed to provide a method to insure the long term storage life of data. We estimate the useful life of data written on silicon or gold coated silicon to be a few thousand years. The process uses an ion beam to carve material from the surface much like stone cutting. The deeper information is carved into the media the longer the expected life of the information. The process can read information in three formats: (1) binary at densities of 3.5 Gbits/cm{sup 2}, (2) alphanumeric at optical or non-optical density, and (3) graphical at optical and non-optical density. The formats can be mixed on the same media; and thus it is possible to record, in a human readable format, instructions that can be read using an optical microscope. These instructions provide guidance on reading the higher density information.

  17. Density Functional Theory Models for Radiation Damage

    E-Print Network [OSTI]

    Density Functional Theory Models for Radiation Damage S.L. Dudarev EURATOM/CCFE Fusion Association and informative as the most advanced experimental techniques developed for the observation of radiation damage investigation and assessment of radiation damage effects, offering new insight into the origin of temperature

  18. High power density thermophotovoltaic energy conversion

    SciTech Connect (OSTI)

    Noreen, D.L. [R& D Technologies, Inc., Hoboken, New Jersey 07030 (United States); Du, H. [Department of Materials Science and Engineering, Stevens Institute of Technology, Hoboken, New Jersey 07030 (United States)

    1995-01-05T23:59:59.000Z

    R&D Technologies is developing thermophotovoltaic (TPV) technology based on the use of porous/fibrous ceramic broadband-type emitter designs that utilize recuperative or regenerative techniques to improve thermal efficiency and power density. This paper describes preliminary estimates of what will be required to accomplish sufficient power density to develop a practical, commercially-viable TPV generator. It addresses the needs for improved, thermal shock-resistant, long-life porous/fibrous ceramic emitters and provides information on the photocell technology required to achieve acceptable power density in broadband-type (with selective filter) TPV systems. TPV combustors/systems operating at a temperature of 1500 {degree}C with a broadband-type emitter is proposed as a viable starting point for cost-effective TPV conversion. Based on current projections for photocell cost, system power densities of 7.5--10 watts per square centimeter of emitter area will be required for TPV to become a commercially viable technology. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.

  19. Estimating density of Florida Key deer

    E-Print Network [OSTI]

    Roberts, Clay Walton

    2006-08-16T23:59:59.000Z

    for this species since 1968; however, a need to evaluate the precision of existing and alternative survey methods (i.e., road counts, mark-recapture, infrared-triggered cameras [ITC]) was desired by USFWS. I evaluated density estimates from unbaited ITCs and road...

  20. Population density of San Joaquin kit fox

    SciTech Connect (OSTI)

    McCue, P.; O'Farrell, T.P.; Kato, T.; Evans, B.G.

    1982-01-01T23:59:59.000Z

    Populations of the endangered San Joaquin kit fox, vulpes macrotis mutica, are known to occur on the Elk Hills Naval Petroleum Reserve No. 1. This study assess the impact of intensified petroleum exploration and production and associated human activities on kit fox population density. (ACR)

  1. Effective Field Theory and Finite Density Systems

    E-Print Network [OSTI]

    R. J. Furnstahl; G. Rupak; T. Schaefer

    2008-01-04T23:59:59.000Z

    This review gives an overview of effective field theory (EFT) as applied at finite density, with a focus on nuclear many-body systems. Uniform systems with short-range interactions illustrate the ingredients and virtues of many-body EFT and then the varied frontiers of EFT for finite nuclei and nuclear matter are surveyed.

  2. Dynamic Evolution for Risk-Neutral Densities

    E-Print Network [OSTI]

    2008-10-27T23:59:59.000Z

    specifications of the data are as follows: the spot asset price is 590, the risk- free interest rate is ... than 10) the recovered risk-neutral densities exhibit less smoothness than in the cases .... Technical report, Purdue University, 1995. [31] A. M. ...

  3. Matrix multiplication over word-size prime fields using Bini's approximate formula

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Matrix multiplication over word-size prime fields using Bini's approximate formula Brice Boyer Jean-Guillaume Dumas Abstract Bini's approximate formula (or border rank) for matrix multiplication achieves a better the approximate formula in the special case where the ring is Z/pZ. Besides, we show an implemen- tation à la

  4. PD Dr. Martin Stetter, Siemens AG 1 Lernen von Datenmodellen: Approximation

    E-Print Network [OSTI]

    Popeea, Corneliu - Chair for Foundations of Software Reliability and Theoretical Computer Science

    PD Dr. Martin Stetter, Siemens AG 1 Lernen von Datenmodellen: Approximation · Bayes`sches Schließen: Approximation #12;PD Dr. Martin Stetter, Siemens AG 2 Ziel maschinellen Lernens (=statistische Inferenz) · Man Datenmodellen: Approximation #12;PD Dr. Martin Stetter, Siemens AG 3 Bayes`sches Schließen · Es gilt, die Daten

  5. Motivation Green's functions The GW Approximation The Bethe-Salpeter Equation Introduction to Green's functions

    E-Print Network [OSTI]

    Botti, Silvana

    Motivation Green's functions The GW Approximation The Bethe-Salpeter Equation Introduction to Green=whiteMotivation Green's functions The GW Approximation The Bethe-Salpeter Equation Outline 1 Motivation 2 Green's functions 3 The GW Approximation 4 The Bethe-Salpeter Equation #12;bg=whiteMotivation Green's functions

  6. Convergence of the Approximation Scheme to American Option Pricing via the Discrete Morse Semiflow

    SciTech Connect (OSTI)

    Ishii, Katsuyuki, E-mail: ishii@maritime.kobe-u.ac.jp [Kobe University, Graduate School of Maritime Sciences (Japan); Omata, Seiro, E-mail: omata@kenroku.kanazawa-u.ac.jp [Kanazawa University, School of Mathematics and Physics, Institute of Science and Engineering (Japan)

    2011-12-15T23:59:59.000Z

    We consider the approximation scheme to the American call option via the discrete Morse semiflow, which is a minimizing scheme of a time semi-discretized variational functional. In this paper we obtain a rate of convergence of approximate solutions and the convergence of approximate free boundaries. We mainly apply the theory of variational inequalities and that of viscosity solutions to prove our results.

  7. ?Linear Gas Jet with Tailored Density Profile"

    SciTech Connect (OSTI)

    KRISHNAN, Mahadevan

    2012-12-10T23:59:59.000Z

    Supersonic, highly collimated gas jets and gas-filled capillary discharge waveguides are two primary targets of choice for Laser Plasma Accelerators (LPA) . Present gas jets have lengths of only 2-4 mm at densities of 1-4E19 cm-3, sufficient for self trapping and electron acceleration to energies up to ~150 MeV. Capillary structures 3 cm long have been used to accelerate beams up to 1 GeV. Capillary discharges used in LPAs serve to guide the pump laser and optimize the energy gain. A wall-stabilized capillary discharge provides a transverse profile across the channel that helps guide the laser and combat diffraction. Gas injection via a fast nozzle at one end provides some longitudinal density control, to improve the coupling. Gas jets with uniform or controlled density profiles may be used to control electron bunch injection and are being integrated into capillary experiments to add tuning of density. The gas jet for electron injection has not yet been optimized. Our Ph-I results have provided the LPA community with an alternative path to realizing a 2-3GeV electron bunch using just a gas jet. For example, our slit/blade combination gives a 15-20mm long acceleration path with tunable density profile, serving as an alternative to a 20-mm long capillary discharge with gas injection at one end. In Ph-II, we will extend these results to longer nozzles, to see whether we can synthesize 30 or 40-mm long plasma channels for LPAs.

  8. Theoretical Electron Density Distributions for Fe- and Cu-Sulfide...

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

    Electron Density Distributions for Fe- and Cu-Sulfide Earth Materials: A Connection between Bond Length, Bond Theoretical Electron Density Distributions for Fe- and Cu-Sulfide...

  9. A Density Functional Theory Study of Formaldehyde Adsorption...

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

    Density Functional Theory Study of Formaldehyde Adsorption on Ceria. A Density Functional Theory Study of Formaldehyde Adsorption on Ceria. Abstract: Molecular adsorption of...

  10. Effects of van der Waals Density Functional Corrections on Trends...

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

    van der Waals Density Functional Corrections on Trends in Furfural Adsorption and Hydrogenation on Close-Packed Effects of van der Waals Density Functional Corrections on Trends in...

  11. Pauling bond strength, bond length and electron density distribution...

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

    Pauling bond strength, bond length and electron density distribution. Pauling bond strength, bond length and electron density distribution. Abstract: A power law regression...

  12. TEMPO-based Catholyte for High Energy Density Nonaqueous Redox...

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

    TEMPO-based Catholyte for High Energy Density Nonaqueous Redox Flow Batteries. TEMPO-based Catholyte for High Energy Density Nonaqueous Redox Flow Batteries. Abstract: We will...

  13. Using Radio Waves to Control Fusion Plasma Density

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

    Using Radio Waves to Control Fusion Plasma Density Using Radio Waves to Control Fusion Plasma Density Simulations Run at NERSC Support Fusion Experiments at MIT, General Atomics...

  14. High Energy Density Laboratory Plasmas Program | National Nuclear...

    National Nuclear Security Administration (NNSA)

    Photo Gallery Jobs Apply for Our Jobs Our Jobs Working at NNSA Blog Home High Energy Density Laboratory Plasmas Program High Energy Density Laboratory Plasmas Program...

  15. High power density supercapacitors using locally aligned carbon nanotube electrodes

    E-Print Network [OSTI]

    Du, C S; Yeh, J; Pan, Ning

    2005-01-01T23:59:59.000Z

    High power density supercapacitors using locally alignedof high power density supercapacitors and other similarcells [6], and for supercapacitors [7–18]. As unique energy

  16. Effects of Ambient Density and Temperature on Soot Formation...

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

    Density and Temperature on Soot Formation under High-EGR Conditions Effects of Ambient Density and Temperature on Soot Formation under High-EGR Conditions Presentation given at...

  17. Mitigating Breakdown in High Energy Density Perovskite Polymer...

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

    Mitigating Breakdown in High Energy Density Perovskite Polymer Nanocomposite Capacitors Mitigating Breakdown in High Energy Density Perovskite Polymer Nanocomposite Capacitors 2012...

  18. Density Functional Theory Study of Oxygen Reduction Activity...

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

    Density Functional Theory Study of Oxygen Reduction Activity on Ultrathin Platinum Nanotubes. Density Functional Theory Study of Oxygen Reduction Activity on Ultrathin Platinum...

  19. An Assessment of Density Functional Methods for Potential Energy Curves of Nonbonded Interactions: The XYG3 and B97-D Approximations

    SciTech Connect (OSTI)

    Vazquez-Mayagoitia, Alvaro [ORNL; Sherrill, David [Georgia Institute of Technology; Apra, Edoardo [ORNL; Sumpter, Bobby G [ORNL

    2010-01-01T23:59:59.000Z

    A recently proposed double-hybrid functional called XYG3 and a semilocal GGA functional (B97-D) with a semiempirical correction for van der Waals interactions have been applied to study the potential energy curves along the dissociation coordinates of weakly bound pairs of molecules governed by London dispersion and induced dipole forces. Molecules treated in this work were the parallel sandwich, T-shaped, and parallel-displaced benzene dimer, (C6H6)2; hydrogen sulfide and benzene, H2S C6H6; methane and benzene, CH4 C6H6; the methane dimer, (CH4)2; and the pyridine dimer, (C5H5N)2. We compared the potential energy curves of these functionals with previously published benchmarks at the coupled cluster singles, doubles, and perturbative triplets [CCSD(T)] complete-basis-set limit. Both functionals, XYG3 and B97-D, exhibited very good performance, reproducing accurate energies for equilibrium distances and a smooth behavior along the dissociation coordinate. Overall, we found an agreement within a few tenths of one kcal mol-1 with the CCSD(T) results across the potential energy curves.

  20. Point defects as a test ground for the local density approximation +U theory: Mn, Fe, and V{sub Ga} in GaN

    SciTech Connect (OSTI)

    Volnianska, O.; Zakrzewski, T. [Institute of Physics PAS, 02-668 Warsaw (Poland); Boguslawski, P. [Institute of Physics PAS, 02-668 Warsaw (Poland); Institute of Physics, Kazimierz Wielki University, 85-072 Bydgoszcz (Poland)

    2014-09-21T23:59:59.000Z

    Electronic structure of the Mn and Fe ions and of the gallium vacancy V{sub Ga} in GaN was analysed within the GGA + U approach. First, the +U term was treated as a free parameter, and applied to p(N), d(Mn), and d(Fe). The band gap of GaN is reproduced for U(N) ? 4 eV. The electronic structure of defect states was found to be more sensitive to the value of U than that of the bulk states. Both the magnitude and the sign of the U-induced energy shifts of levels depend on occupancies, and thus on the defect charge state. The energy shifts also depend on the hybridization between defect and host states, and thus are different for different level symmetries. In the case of V{sub Ga}, these effects lead to stabilization of spin polarization and the “negative-U{sub eff}” behavior. The values of Us were also calculated using the linear response approach, which gives U(Fe) ? U(Mn) ? 4 eV. This reproduces well the results of previous hybrid functionals calculations. However, the best agreement with the experimental data is obtained for vanishing or even negative U(Fe) and U(Mn)

  1. Markov Jump Processes Approximating a Non-Symmetric Generalized Diffusion

    SciTech Connect (OSTI)

    Limic, Nedzad, E-mail: nlimic@math.hr [University of Zagreb, Dept. of Mathematics (Croatia)

    2011-08-15T23:59:59.000Z

    Consider a non-symmetric generalized diffusion X( Dot-Operator ) in Double-Struck-Capital-R {sup d} determined by the differential operator A(x) = -{Sigma}{sub ij} {partial_derivative}{sub i}a{sub ij}(x){partial_derivative}{sub j} + {Sigma}{sub i} b{sub i}(x){partial_derivative}{sub i}. In this paper the diffusion process is approximated by Markov jump processes X{sub n}( Dot-Operator ), in homogeneous and isotropic grids G{sub n} Subset-Of Double-Struck-Capital-R {sup d}, which converge in distribution in the Skorokhod space D([0,{infinity}), Double-Struck-Capital-R {sup d}) to the diffusion X( Dot-Operator ). The generators of X{sub n}( Dot-Operator ) are constructed explicitly. Due to the homogeneity and isotropy of grids, the proposed method for d{>=}3 can be applied to processes for which the diffusion tensor {l_brace}a{sub ij}(x){r_brace}{sub 11}{sup dd} fulfills an additional condition. The proposed construction offers a simple method for simulation of sample paths of non-symmetric generalized diffusion. Simulations are carried out in terms of jump processes X{sub n}( Dot-Operator ). For piece-wise constant functions a{sub ij} on Double-Struck-Capital-R {sup d} and piece-wise continuous functions a{sub ij} on Double-Struck-Capital-R {sup 2} the construction and principal algorithm are described enabling an easy implementation into a computer code.

  2. Ferromagnetism in GaN: Gd: A density functional theory study

    SciTech Connect (OSTI)

    Stevenson, Cynthia; Stevenson, Cynthia

    2008-02-04T23:59:59.000Z

    First principle calculations of the electronic structure and magnetic interaction of GaN:Gd have been performed within the Generalized Gradient Approximation (GGA) of the density functional theory (DFT) with the on-site Coulomb energy U taken into account (also referred to as GGA+U). The ferromagnetic p-d coupling is found to be over two orders of magnitude larger than the s-d exchange coupling. The experimental colossal magnetic moments and room temperature ferromagnetism in GaN:Gd reported recently are explained by the interaction of Gd 4f spins via p-d coupling involving holes introduced by intrinsic defects such as Ga vacancies.

  3. Computation of the current density in nonlinear materials subjected to large current pulses

    SciTech Connect (OSTI)

    Hodgdon, M.L.; Hixson, R.S.; Parsons, W.M.

    1990-01-01T23:59:59.000Z

    The finite element method and the finite difference method are used to calculate the current distribution in two nonlinear conductors. The first conductor is a small ferromagnetic wire subjected to a current pulse that rises to 10,000 Amperes in 10 microseconds. Results from the transient thermal and transient magnetic solvers of the finite element code FLUX2D are used to compute the current density in the wire. The second conductor is a metal oxide varistor. Maxwell's equations, Ohm's law and the varistor relation for the resistivity and the current density of {rho} = {alpha}j{sup {minus}{beta}} are used to derive a nonlinear differential equation. The solutions of the differential equation are obtained by a finite difference approximation and a shooting method. The behavior predicted by these calculations is in agreement with experiments. 9 refs., 6 figs.

  4. Testing the accuracy of the Hydro-PM approximation in numerical simulations of the Lyman-alpha forest

    E-Print Network [OSTI]

    Matteo Viel; Martin G. Haehnelt; Volker Springel

    2006-04-20T23:59:59.000Z

    We implement the hydro-PM (HPM) technique (Gnedin & Hui 1998) in the hydrodynamical simulation code GADGET-II and quantify the differences between this approximate method and full hydrodynamical simulations of the Lyman-alpha forest in a concordance LCDM model. At redshifts z=3 and z=4, the differences between the gas and dark matter (DM) distributions, as measured by the one-point distribution of density fluctuations, the density power spectrum and the flux power spectrum, systematically decrease with increasing resolution of the HPM simulqation. However, reducing these differences to less than a few percent requires a significantly larger number of grid-cells than particles, with a correspondingly larger demand for memory. Significant differences in the flux decrement distribution remain even for very high resolution hydro-PM simulations, particularly at low redshift. At z=2, the differences between the flux power spectra obtained from HPM simulations and full hydrodynamical simulations are generally large and of the order of 20-30 %, and do not decrease with increasing resolution of the HPM simulation. This is due to the presence of large amounts of shock-heated gas, a situation which is not adequately modelled by the HPM approximation. We confirm the results of Gnedin & Hui (1998) that the statistical properties of the flux distribution are discrepant by > 5-20 % when compared to full hydrodynamical simulations. The discrepancies in the flux power spectrum are strongly scale- and redshift-dependent and extend to large scales. Considerable caution is needed in attempts to use calibrated HPM simulations for quantitative predictions of the flux power spectrum and other statistical properties of the Lyman-alpha forest.

  5. Lower crustal density estimation using the density-slowness relationship: a preliminary study

    E-Print Network [OSTI]

    Jones, Gary Wayne

    1996-01-01T23:59:59.000Z

    , and seismic velocity models were used to estimate the densities of th lower crustal rocks frcm the Wind River Mountains, the Ivrea Zone in Italy, and the average 1~ continental crustal model developed b/ ~istensen and Mconey [1995] . The. densities... by Carlson and Raskin [1984) yields a precision of about 1 percent. 'Ihe objective of this study is to evaluate this approach to estimate the density of the more complex continental crust, which is more variable in composition and affected hy a wider range...

  6. Current density fluctuations and ambipolarity of transport

    SciTech Connect (OSTI)

    Shen, W.; Dexter, R.N.; Prager, S.C.

    1991-10-01T23:59:59.000Z

    The fluctuation in the plasma current density is measured in the MIST reversed field pinch experiment. Such fluctuations, and the measured radial profile of the k spectrum of magnetic fluctuations, supports the view and that low frequency fluctuations (f < 30 kHz) are tearing modes and high frequency fluctuations (30 kHz < f < 250 kHz) are localized turbulence in resonance with the local equilibrium magnetic field (i.e., k {center dot} B = 0). Correlation of current density and magnetic fluctuations (< {tilde j}{parallel}{tilde B}{sub r} >) demonstrates that radial particle transport from particle motion parallel to a fluctuating magnetic field is ambipolar over the full frequency range.

  7. Current density fluctuations and ambipolarity of transport

    SciTech Connect (OSTI)

    Shen, W.; Dexter, R.N.; Prager, S.C.

    1991-10-01T23:59:59.000Z

    The fluctuation in the plasma current density is measured in the MIST reversed field pinch experiment. Such fluctuations, and the measured radial profile of the k spectrum of magnetic fluctuations, supports the view and that low frequency fluctuations (f < 30 kHz) are tearing modes and high frequency fluctuations (30 kHz < f < 250 kHz) are localized turbulence in resonance with the local equilibrium magnetic field (i.e., k {center_dot} B = 0). Correlation of current density and magnetic fluctuations (< {tilde j}{parallel}{tilde B}{sub r} >) demonstrates that radial particle transport from particle motion parallel to a fluctuating magnetic field is ambipolar over the full frequency range.

  8. Oblique interactions of dust density waves

    SciTech Connect (OSTI)

    Wang, Zhelchui [Los Alamos National Laboratory; Li, Yang - Fang [MAX-PLANCK INSTITUTE; Hou, Lujing [MAX-PLANCK INSTITUTE; Jiang, Ke [MAX-PLANCK INSTITUTE; Wu, De - Jin [CHINA; Thomas, Hubertus M [MAX-PLANCK INSTITUTE; Morfill, Gregor E [MAX-PLANCK INSTITUTE

    2010-01-01T23:59:59.000Z

    Self-excited dust density waves (DDWs) are studied in a striped electrode device. In addition to the usual perpendicularly (with respect to the electrode) propagating DDWs, which have been frequently observed in dusty plasma experiments on the ground, a low-frequency oblique mode is also observed. This low-frequency oblique DDW has a frequency much lower than the dust plasma frequency and its spontaneous excitation is observed even with a very low dust density. It is found that the low-frequency oblique mode can exist either separately or together with the usual perpendicular mode. In the latter case, a new mode arises as a result of the interactions between the perpendicular and the oblique modes. The experiments show that these three modes satisfy the wave coupling conditions in both the frequencies and the wave-vectors.

  9. Global coherence of dust density waves

    SciTech Connect (OSTI)

    Killer, Carsten; Melzer, André [Institut für Physik, Ernst-Moritz-Arndt-Universität Greifswald, 17489 Greifswald (Germany)

    2014-06-15T23:59:59.000Z

    The coherence of self-excited three-dimensional dust density waves has been experimentally investigated by comparing global and local wave properties. For that purpose, three-dimensional dust clouds have been confined in a radio frequency plasma with thermophoretic levitation. Global wave properties have been measured from the line-of-sight integrated dust density obtained from homogenous light extinction measurements. Local wave properties have been obtained from thin, two-dimensional illuminated laser slices of the cloud. By correlating the simultaneous global and local wave properties, the spatial coherence of the waves has been determined. We find that linear waves with small amplitudes tend to be fragmented, featuring an incoherent wave field. Strongly non-linear waves with large amplitudes, however, feature a strong spatial coherence throughout the dust cloud, indicating a high level of synchronization.

  10. Ultra-high density diffraction grating

    DOE Patents [OSTI]

    Padmore, Howard A.; Voronov, Dmytro L.; Cambie, Rossana; Yashchuk, Valeriy V.; Gullikson, Eric M.

    2012-12-11T23:59:59.000Z

    A diffraction grating structure having ultra-high density of grooves comprises an echellette substrate having periodically repeating recessed features, and a multi-layer stack of materials disposed on the echellette substrate. The surface of the diffraction grating is planarized, such that layers of the multi-layer stack form a plurality of lines disposed on the planarized surface of the structure in a periodical fashion, wherein lines having a first property alternate with lines having a dissimilar property on the surface of the substrate. For example, in one embodiment, lines comprising high-Z and low-Z materials alternate on the planarized surface providing a structure that is suitable as a diffraction grating for EUV and soft X-rays. In some embodiments, line density of between about 10,000 lines/mm to about 100,000 lines/mm is provided.

  11. Development of Silica Aerogel with Any Density

    E-Print Network [OSTI]

    M. Tabata; I. Adachi; T. Fukushima; H. Kawai; H. Kishimoto; A. Kuratani; H. Nakayama; S. Nishida; T. Noguchi; K. Okudaira; Y. Tajima; H. Yano; H. Yokogawa; H. Yoshida

    Abstract–New production methods of silica aerogel with high and low refractive indices have been developed. A very slow shrinkage of alcogel at room temperature has made possible producing aerogel with high refractive indices of up to 1.265 without cracks. Even higher refractive indices than 1.08, the transmission length of the aerogel obtained from this technique has been measured to be about 10 to 20 mm at 400 nm wave length. A mold made of alcogel which endures shrinkage in the supercritical drying process has provided aerogel with the extremely low density of 0.009g/cm 3, which corresponds to the refractive index of 1.002. We have succeeded producing aerogel with a wide range of densities. I.

  12. Density equalizing map projections: A new algorithm

    SciTech Connect (OSTI)

    Merrill, D.W.; Selvin, S.; Mohr, M.S.

    1992-02-01T23:59:59.000Z

    In the study of geographic disease clusters, an alternative to traditional methods based on rates is to analyze case locations on a transformed map in which population density is everywhere equal. Although the analyst`s task is thereby simplified, the specification of the density equalizing map projection (DEMP) itself is not simple and continues to be the subject of considerable research. Here a new DEMP algorithm is described, which avoids some of the difficulties of earlier approaches. The new algorithm (a) avoids illegal overlapping of transformed polygons; (b) finds the unique solution that minimizes map distortion; (c) provides constant magnification over each map polygon; (d) defines a continuous transformation over the entire map domain; (e) defines an inverse transformation; (f) can accept optional constraints such as fixed boundaries; and (g) can use commercially supported minimization software. Work is continuing to improve computing efficiency and improve the algorithm.

  13. Density equalizing map projections: A new algorithm

    SciTech Connect (OSTI)

    Merrill, D.W.; Selvin, S.; Mohr, M.S.

    1992-02-01T23:59:59.000Z

    In the study of geographic disease clusters, an alternative to traditional methods based on rates is to analyze case locations on a transformed map in which population density is everywhere equal. Although the analyst's task is thereby simplified, the specification of the density equalizing map projection (DEMP) itself is not simple and continues to be the subject of considerable research. Here a new DEMP algorithm is described, which avoids some of the difficulties of earlier approaches. The new algorithm (a) avoids illegal overlapping of transformed polygons; (b) finds the unique solution that minimizes map distortion; (c) provides constant magnification over each map polygon; (d) defines a continuous transformation over the entire map domain; (e) defines an inverse transformation; (f) can accept optional constraints such as fixed boundaries; and (g) can use commercially supported minimization software. Work is continuing to improve computing efficiency and improve the algorithm.

  14. Nuclear fission in covariant density functional theory

    E-Print Network [OSTI]

    A. V. Afanasjev; H. Abusara; P. Ring

    2013-09-12T23:59:59.000Z

    The current status of the application of covariant density functional theory to microscopic description of nuclear fission with main emphasis on superheavy nuclei (SHN) is reviewed. The softness of SHN in the triaxial plane leads to an emergence of several competing fission pathes in the region of the inner fission barrier in some of these nuclei. The outer fission barriers of SHN are considerably affected both by triaxiality and octupole deformation.

  15. Energy-momentum Density of Gravitational Waves

    E-Print Network [OSTI]

    Amir M. Abbassi; Saeed Mirshekari

    2014-11-29T23:59:59.000Z

    In this paper, we elaborate the problem of energy-momentum in general relativity by energy-momentum prescriptions theory. Our aim is to calculate energy and momentum densities for the general form of gravitational waves. In this connection, we have extended the previous works by using the prescriptions of Bergmann and Tolman. It is shown that they are finite and reasonable. In addition, using Tolman prescription, exactly, leads to same results that have been obtained by Einstein and Papapetrou prescriptions.

  16. Update of axion CDM energy density

    SciTech Connect (OSTI)

    Huh, Ji-Haeng [Department of Physics and Astronomy and Center for Theoretical Physics, Seoul National University, Seoul 151-747 (Korea, Republic of)

    2008-11-23T23:59:59.000Z

    We update cosmological bound on axion model. The contribution from the anharmonic effect and the newly introduced initial overshoot correction are considered. We present an explicit formula for the axion relic density in terms of the QCD scale {lambda}{sub QCD}, the current quark masses m{sub q}'s and the Peccei-Quinn scale F{sub a}, including firstly introduced 1.85 factor which is from the initial overshoot.

  17. Mapping densities in a noisy state space

    E-Print Network [OSTI]

    Domenico Lippolis

    2013-03-05T23:59:59.000Z

    Weak noise smooths out fractals in a chaotic state space and introduces a maximum attainable resolution to its structure. The balance of noise and deterministic stretching/contraction in each neighborhood introduces local invariants of the dynamics that can be used to partition the state space. We study the local discrete-time evolution of a density in a two-dimensional hyperbolic state space, and use the asymptotic eigenfunctions for the noisy dynamics to formulate a new state space partition algorithm.

  18. Fiber felts as low density structural materials

    SciTech Connect (OSTI)

    Milewski, J.V.; Newfield, S.E.

    1981-01-01T23:59:59.000Z

    Short fiber felts structures can be made which provide improvements in properties over foams. In applications where resistance to compression set or stress relaxation are important, bonded fiber felts excel due to the flexing of individual fibers within their elastic limit. Felts of stainless steel and polyester fibers were prepared by deposition from liquid slurries. Compressive properties were determined as a function of felt parent material, extent of bonding, felt density, and length-to-diameter (L/D) ratio of starting fibers.

  19. Energy trapping from Hagedorn densities of states

    E-Print Network [OSTI]

    Connor Behan; Klaus Larjo; Nima Lashkari; Brian Swingle; Mark Van Raamsdonk

    2013-04-26T23:59:59.000Z

    In this note, we construct simple stochastic toy models for holographic gauge theories in which distributions of energy on a collection of sites evolve by a master equation with some specified transition rates. We build in only energy conservation, locality, and the standard thermodynamic requirement that all states with a given energy are equally likely in equilibrium. In these models, we investigate the qualitative behavior of the dynamics of the energy distributions for different choices of the density of states for the individual sites. For typical field theory densities of states (\\log(\\rho(E)) ~ E^{\\alphaenergy spread out relatively quickly. For large N gauge theories with gravitational duals, the density of states for a finite volume of field theory degrees of freedom typically includes a Hagedorn regime (\\log(\\rho(E)) ~ E). We find that this gives rise to a trapping of energy in subsets of degrees of freedom for parametrically long time scales before the energy leaks away. We speculate that this Hagedorn trapping may be part of a holographic explanation for long-lived gravitational bound states (black holes) in gravitational theories.

  20. Correlated density-dependent chiral forces for infinite matter calculations within the Green's function approach

    E-Print Network [OSTI]

    Arianna Carbone; Arnau Rios; Artur Polls

    2014-11-19T23:59:59.000Z

    The properties of symmetric nuclear and pure neutron matter are investigated within an extended self-consistent Green's function method that includes the effects of three-body forces. We use the ladder approximation for the study of infinite nuclear matter and incorporate the three-body interaction by means of a density-dependent two-body force. This force is obtained via a correlated average over the third particle, with an in-medium propagator consistent with the many-body calculation we perform. We analyze different prescriptions in the construction of the average and conclude that correlations provide small modifications at the level of the density-dependent force. Microscopic as well as bulk properties are studied, focusing on the changes introduced by the density dependent two-body force. The total energy of the system is obtained by means of a modified Galitskii-Migdal-Koltun sum rule. Our results validate previously used uncorrelated averages and extend the availability of chirally motivated forces to a larger density regime.

  1. Optimally focused cold atom systems obtained using density-density correlations

    SciTech Connect (OSTI)

    Putra, Andika; Campbell, Daniel L.; Price, Ryan M.; Spielman, I. B. [Joint Quantum Institute, University of Maryland and National Institute of Standards and Technology, College Park, Maryland 20742 (United States)] [Joint Quantum Institute, University of Maryland and National Institute of Standards and Technology, College Park, Maryland 20742 (United States); De, Subhadeep [Joint Quantum Institute, University of Maryland and National Institute of Standards and Technology, College Park, Maryland 20742 (United States) [Joint Quantum Institute, University of Maryland and National Institute of Standards and Technology, College Park, Maryland 20742 (United States); CSIR-National Physical Laboratory, New Delhi 110012 (India)

    2014-01-15T23:59:59.000Z

    Resonant absorption imaging is a common technique for detecting the two-dimensional column density of ultracold atom systems. In many cases, the system's thickness along the imaging direction greatly exceeds the imaging system's depth of field, making the identification of the optimally focused configuration difficult. Here we describe a systematic technique for bringing Bose-Einstein condensates (BEC) and other cold-atom systems into an optimal focus even when the ratio of the thickness to the depth of field is large: a factor of 8 in this demonstration with a BEC. This technique relies on defocus-induced artifacts in the Fourier-transformed density-density correlation function (the power spectral density, PSD). The spatial frequency at which these artifacts first appear in the PSD is maximized on focus; the focusing process therefore both identifies and maximizes the range of spatial frequencies over which the PSD is uncontaminated by finite-thickness effects.

  2. Assessment of the accuracy of DFT (Density Functional Theory) for the photochromic behavior of dihydroazulene (DHA)

    E-Print Network [OSTI]

    Ramachandran, Arathi

    2012-01-01T23:59:59.000Z

    Efficient utilization of the sun as a renewable and clean energy source is one of the greatest goals and challenges of this century due to the increasing demand for energy and its environmental impact. Photoactive molecules ...

  3. Relativistic and ponderomotive self-focusing of a laser beam in a radially inhomogeneous plasma. I. Paraxial approximation

    SciTech Connect (OSTI)

    Brandi, H.S.; Manus, C.; Mainfray, G. (Service des Photons, Atomes et Molecules, Centre d' Etudes de Saclay, Bat. 522, 91191 Gif-sur-Yvette Cedex (France)); Lehner, T. (Laboratoire PMI, Ecole Polytechnique, 91128 Palaiseau (France)); Bonnaud, G. (Commissariat a l'Energie Atomique, Centre d'Etudes de Limeil-Valenton, 94195 Villeneuve-St-Georges (France))

    1993-10-01T23:59:59.000Z

    The propagation of a high-irradiance laser beam in a plasma whose optical index depends nonlinearly on the light intensity is investigated through both theoretical and numerical analyses. The nonlinear effects examined herein are the relativistic decrease of the plasma frequency and the ponderomotive expelling of the electrons. This paper is devoted to focusing and defocusing effects of a beam assumed to remain cylindrical and for a plasma supposed homogeneous along the propagation direction but radially inhomogeneous with a parabolic density profile. A two-parameter perturbation expansion is used; these two parameters, assumed small with respect to unity, are the ratio of the laser wavelength to the radial electric-field gradient length and the ratio of the plasma frequency to the laser frequency. The laser field is described in the context of a time envelope and spatial paraxial approximations. An analytical expression is provided for the critical beam power beyond which self-focusing appears; it depends strongly on the plasma inhomogeneity and suggests the plasma density tailoring in order to lower this critical power. The beam energy radius evolution is obtained as a function of the propagation distance by numerically solving the paraxial equation given by the two-parameter expansion. The relativistic mass variation is shown to dominate the ponderomotive effect. For strong laser fields, self-focusing saturates due to corrections of fourth order in the electric field involved by both contributions.

  4. A quasi-Gaussian approximation for the probability distribution of correlation functions

    E-Print Network [OSTI]

    Wilking, Philipp

    2013-01-01T23:59:59.000Z

    Context. Whenever correlation functions are used for inference about cosmological parameters in the context of a Bayesian analysis, the likelihood function of correlation functions needs to be known. Usually, it is approximated as a multivariate Gaussian, though this is not necessarily a good approximation. Aims. We show how to calculate a better approximation for the probability distribution of correlation functions, which we call "quasi-Gaussian". Methods. Using the exact univariate PDF as well as constraints on correlation functions previously derived, we transform the correlation functions to an unconstrained variable for which the Gaussian approximation is well justified. From this Gaussian in the transformed space, we obtain the quasi-Gaussian PDF. The two approximations for the probability distributions are compared to the "true" distribution as obtained from simulations. Additionally, we test how the new approximation performs when used as likelihood in a toy-model Bayesian analysis. Results. The quas...

  5. Symmetry energy in nuclear density functional theory

    E-Print Network [OSTI]

    W. Nazarewicz; P. -G. Reinhard; W. Satula; D. Vretenar

    2013-07-22T23:59:59.000Z

    The nuclear symmetry energy represents a response to the neutron-proton asymmetry. In this survey we discuss various aspects of symmetry energy in the framework of nuclear density functional theory, considering both non-relativistic and relativistic self-consistent mean-field realizations side-by-side. Key observables pertaining to bulk nucleonic matter and finite nuclei are reviewed. Constraints on the symmetry energy and correlations between observables and symmetry-energy parameters, using statistical covariance analysis, are investigated. Perspectives for future work are outlined in the context of ongoing experimental efforts.

  6. Method of high-density foil fabrication

    DOE Patents [OSTI]

    Blue, Craig A.; Sikka, Vinod K.; Ohriner, Evan K.

    2003-12-16T23:59:59.000Z

    A method for preparing flat foils having a high density includes the steps of mixing a powdered material with a binder to form a green sheet. The green sheet is exposed to a high intensity radiative source adapted to emit radiation of wavelengths corresponding to an absorption spectrum of the powdered material. The surface of the green sheet is heated while a lower sub-surface temperature is maintained. An apparatus for preparing a foil from a green sheet using a radiation source is also disclosed.

  7. Generalized Holographic Quantum Criticality at Finite Density

    E-Print Network [OSTI]

    B. Goutéraux; E. Kiritsis

    2013-01-23T23:59:59.000Z

    We show that the near-extremal solutions of Einstein-Maxwell-Dilaton theories, studied in ArXiv:1005.4690, provide IR quantum critical geometries, by embedding classes of them in higher-dimensional AdS and Lifshitz solutions. This explains the scaling of their thermodynamic functions and their IR transport coefficients, the nature of their spectra, the Gubser bound, and regulates their singularities. We propose that these are the most general quantum critical IR asymptotics at finite density of EMD theories.

  8. Particle transport inferences from density sawteeth

    SciTech Connect (OSTI)

    Chen, J.; Li, Q.; Zhuang, G. [State Key Laboratory of Advanced Electromagnetic Engineering and Technology, Huazhong University of Science and Technology, Wuhan 430074 (China); Liao, K.; Gentle, K. W., E-mail: k.gentle@mail.utexas.edu [Institute for Fusion Studies, University of Texas, Austin, Texas 78712 (United States)

    2014-05-15T23:59:59.000Z

    Sawtooth oscillations in tokamaks are defined by their effect on electron temperature: a rapid flattening of the core profile followed by an outward heat pulse and a slow core recovery caused by central heating. Recent high-resolution, multi-chord interferometer measurements on JTEXT extend these studies to particle transport. Sawteeth only partially flatten the core density profile, but enhanced particle diffusion on the time scale of the thermal crash occurs over much of the profile, relevant for impurities. Recovery between crashes implies an inward pinch velocity extending to the center.

  9. Low density inorganic foams fabricated using microwaves

    SciTech Connect (OSTI)

    Meek, T.T.; Blake, R.D.; Gregory, T.G.

    1985-01-01T23:59:59.000Z

    The objective of our work was to determine if high temperature foams could be made using microwave heating; and if so, to investigate some of their properties. Several foams were made and their compressive strengths, tensile strengths and densities were determined. Foams were made of glass, metal-glass, glass-fiber, metal-glass-fiber, and fly ash. The microwave source used was a Litton model 1521 microwave oven which operated at 2.45 GHz and had an output of 700 watts.

  10. Nuclear Energy Density Optimization: UNEDF2

    E-Print Network [OSTI]

    M. Kortelainen; J. McDonnell; W. Nazarewicz; E. Olsen; P. -G. Reinhard; J. Sarich; N. Schunck; S. M. Wild; D. Davesne; J. Erler; A. Pastore

    2014-10-30T23:59:59.000Z

    The parameters of the UNEDF2 nuclear energy density functional (EDF) model were obtained in an optimization to experimental data consisting of nuclear binding energies, proton radii, odd-even mass staggering data, fission-isomer excitation energies, and single particle energies. In addition to parameter optimization, sensitivity analysis was done to obtain parameter uncertainties and correlations. The resulting UNEDF2 is an all-around EDF. However, the sensitivity analysis also demonstrated that the limits of current Skyrme-like EDFs have been reached and that novel approaches are called for.

  11. Wigner density of a rigid rotator

    SciTech Connect (OSTI)

    Malta, C.P. [Instituto de Fisica, Universidade de Sao Paulo, Caixa Postal 66318, 05315-970 Sao Paulo (Brazil)] [Instituto de Fisica, Universidade de Sao Paulo, Caixa Postal 66318, 05315-970 Sao Paulo (Brazil); Marshall, T.S. [Department of Mathematics, University of Manchester, Manchester M139PL (United Kingdom)] [Department of Mathematics, University of Manchester, Manchester M139PL (United Kingdom); Santos, E. [Departamento de Fisica Moderna, Universidad de Cantabria, 39005, Santander (Spain)] [Departamento de Fisica Moderna, Universidad de Cantabria, 39005, Santander (Spain)

    1997-03-01T23:59:59.000Z

    We show that the Wigner density of the rigid rotator, in an appropriate, i.e., four-dimensional, phase space, is positive. This result holds in the ground state (S state), and also in the thermal mixture state at all finite temperatures. We discuss the implications of our result for the description of angular momentum in quantum mechanics; in particular, we reexamine, in the light of this new evidence, the suggestion made by Einstein and Stern [Ann. Phys. {bold 40}, 551 (1913)] that there is a nontrivial distribution of angular momentum in the S state. {copyright} {ital 1997} {ital The American Physical Society}

  12. High Energy Density Ultracapacitors | Department of Energy

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels DataDepartment of Energy Your Density Isn't YourTransport(Fact Sheet), GeothermalGridHYDROGEN TOTechnologyHigh Efficiency Low -1 DOE

  13. High Energy Density Ultracapacitors | Department of Energy

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels DataDepartment of Energy Your Density Isn't YourTransport(Fact Sheet), GeothermalGridHYDROGEN TOTechnologyHigh Efficiency Low -1 DOE0 DOE

  14. High Energy Density Ultracapacitors | Department of Energy

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels DataDepartment of Energy Your Density Isn't YourTransport(Fact Sheet), GeothermalGridHYDROGEN TOTechnologyHigh Efficiency Low -1 DOE0 DOE09

  15. Low-lying dipole response in the stable {sup 40,48}Ca nuclei within the second random-phase approximation

    SciTech Connect (OSTI)

    Gambacurta, D.; Grasso, M.; Catara, F. [GANIL,CEA/DSM-CNRS/IN2P3, Caen (France); Institut de Physique Nucleaire, Universite Paris-Sud, IN2P3-CNRS, F-91406 Orsay Cedex (France); Dipartimento di Fisica e Astronomia dell'Universita di and INFN Catania (Italy)

    2012-10-20T23:59:59.000Z

    The low-lying dipole strength distributions of {sup 40}CaCa and {sup 48}Ca, in the energy region between 5 and 10 MeV, are studied within the second random phase approximation (RPA) with Skyrme interaction. Standard RPA models do not usually predict any presence of strength in this energy region, while experimentally a significant amount of strength is found. The inclusion of the 2 particle -2 hole configurations allows to obtain a description in a rather good agreement with the experimental data. The properties of the most collective state are analyzed in terms of its 1 particle -1 hole nature and its transition densities.

  16. The quest for a universal density functional: The accuracy of density functionals across a broad spectrum of databases in chemistry and physics

    E-Print Network [OSTI]

    Roberto Peverati; Donald G. Truhlar

    2013-09-06T23:59:59.000Z

    Kohn-Sham density functional theory is in principle an exact formulation of quantum mechanical electronic structure theory, but in practice we have to rely on approximate exchange-correlation (xc) functionals. The objective of our work has been to design an xc functional with broad accuracy across as wide an expanse of chemistry and physics as possible, leading-as a long-range goal-to a functional with good accuracy for all problems, i.e., a universal functional. To guide our path toward that goal and to measure our progress, we have developed-building on earlier work in our group-a set of databases of reference data for a variety of energetic and structural properties in chemistry and physics. These databases include energies of molecular processes such as atomization, complexation, proton addition, and ionization; they also include molecular geometries and solid-state lattice constants, chemical reaction barrier heights, and cohesive energies and band gaps of solids. For the present paper we gather many of these databases into four comprehensive databases, two with 384 energetic data for chemistry and solid-state physics and another two with 68 structural data for chemistry and solid-state physics, and we test 2 wave function methods and 77 density functionals (12 Minnesota meta functionals and 65 others) in a consistent way across this same broad set of data. We especially highlight the Minnesota density functionals, but the results have broader implications in that one may see the successes and failures of many kinds of density functionals when they are all applied to the same data. Therefore the results provide a status report on the quest for a universal functional.

  17. Conformal Higgs model: predicted dark energy density

    E-Print Network [OSTI]

    R. K. Nesbet

    2014-11-03T23:59:59.000Z

    Postulated universal Weyl conformal scaling symmetry provides an alternative to the $\\Lambda$CDM paradigm for cosmology. Recent applications to galactic rotation velocities, Hubble expansion, and a model of dark galactic halos explain qualitative phenomena and fit observed data without invoking dark matter. Significant revision of theory relevant to galactic collisions and clusters is implied, but not yet tested. Dark energy is found to be a consequence of conformal symmetry for the Higgs scalar field of electroweak physics. The present paper tests this implication. The conformal Higgs model acquires a gravitational effect described by a modified Friedmann cosmic evolution equation, shown to fit cosmological data going back to the cosmic microwave background epoch. The tachyonic mass parameter of the Higgs model becomes dark energy in the Friedmann equation. A dynamical model of this parameter, analogous to the Higgs mechanism for gauge boson mass, is derived and tested here. An approximate calculation yields a result consistent with the empirical magnitude inferred from Hubble expansion.

  18. A comparison of networked approximators in parallel mode identification of a bioreactor

    E-Print Network [OSTI]

    Efe, Mehmet Önder

    A comparison of networked approximators in parallel mode identification of a bioreactor Mehmet 2010 Keywords: Bioreactor Identification Multilayer perceptron ANFIS Support vector machine Chemical

  19. A complete analytic inversion of supernova lines in the Sobolev approximation

    E-Print Network [OSTI]

    Kasen, Daniel; Branch, David; Baron, E.; Jeffery, David

    2001-01-01T23:59:59.000Z

    D . & Branch, D . 1990, in Supernovae, ed. J . C . Wheeler &radia­ tive transfer — supernovae Lawrence Berkeley Nationalgradients, such as supernovae. The Sobolev approximation has

  20. The density of states approach for the simulation of finite density quantum field theories

    E-Print Network [OSTI]

    K. Langfeld; B. Lucini; A. Rago; R. Pellegrini; L. Bongiovanni

    2015-03-02T23:59:59.000Z

    Finite density quantum field theories have evaded first principle Monte-Carlo simulations due to the notorious sign-problem. The partition function of such theories appears as the Fourier transform of the generalised density-of-states, which is the probability distribution of the imaginary part of the action. With the advent of Wang-Landau type simulation techniques and recent advances, the density-of-states can be calculated over many hundreds of orders of magnitude. Current research addresses the question whether the achieved precision is high enough to reliably extract the finite density partition function, which is exponentially suppressed with the volume. In my talk, I review the state-of-play for the high precision calculations of the density-of-states as well as the recent progress for obtaining reliable results from highly oscillating integrals. I will review recent progress for the $Z_3$ quantum field theory for which results can be obtained from the simulation of the dual theory, which appears to free of a sign problem.

  1. A generalization of Thue's theorem to packings of non-equal discs, and an application to a discrete approximation of entropy

    E-Print Network [OSTI]

    Rom Pinchasi; Gershon Wolansky

    2014-10-13T23:59:59.000Z

    In this paper we generalize the classical theorem of Thue about the optimal circular disc packing in the plane. We are given a family of circular discs, not necessarily of equal radii, with the property that the inflation of every disc by a factor of $2$ around its center does not contain any center of another disc in the family (notice that this implies that the family of discs is a packing). We show that in this case the density of the given packing is at most $\\frac{\\pi}{2\\sqrt{3}}$, which is the density of the optimal unit disc packing. This result is used to obtain a discrete approximation to the Entropy functional in two dimensional domain.

  2. Longitudinal density monitor for the LHC

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

    Jeff, A.; Andersen, M.; Boccardi, A.; Bozyigit, S.; Bravin, E.; Lefevre, T.; Rabiller, A.; Roncarolo, F.; Welsch, C. P.; Fisher, A. S.

    2012-03-01T23:59:59.000Z

    The longitudinal density monitor (LDM) is primarily intended for the measurement of the particle population in nominally empty rf buckets. These so-called satellite or ghost bunches can cause problems for machine protection as well as influencing the luminosity calibration of the LHC. The high dynamic range of the system allows measurement of ghost bunches with as little as 0.01% of the main bunch population at the same time as characterization of the main bunches. The LDM is a single-photon counting system using visible synchrotron light. The photon detector is a silicon avalanche photodiode operated in Geiger mode, which allows the longitudinal distribution of the LHC beams to be measured with a resolution of 90 ps. Results from the LDM are presented, including a proposed method for constructing a 3-dimensional beam density map by scanning the LDM sensor in the transverse plane. In addition, we present a scheme to improve the sensitivity of the system by using an optical switching technique.

  3. Charged-Particle Thermonuclear Reaction Rates: II. Tables and Graphs of Reaction Rates and Probability Density Functions

    E-Print Network [OSTI]

    Christian Iliadis; Richard Longland; Art Champagne; Alain Coc; Ryan Fitzgerald

    2010-04-23T23:59:59.000Z

    Numerical values of charged-particle thermonuclear reaction rates for nuclei in the A=14 to 40 region are tabulated. The results are obtained using a method, based on Monte Carlo techniques, that has been described in the preceding paper of this series (Paper I). We present a low rate, median rate and high rate which correspond to the 0.16, 0.50 and 0.84 quantiles, respectively, of the cumulative reaction rate distribution. The meaning of these quantities is in general different from the commonly reported, but statistically meaningless expressions, "lower limit", "nominal value" and "upper limit" of the total reaction rate. In addition, we approximate the Monte Carlo probability density function of the total reaction rate by a lognormal distribution and tabulate the lognormal parameters {\\mu} and {\\sigma} at each temperature. We also provide a quantitative measure (Anderson-Darling test statistic) for the reliability of the lognormal approximation. The user can implement the approximate lognormal reaction rate probability density functions directly in a stellar model code for studies of stellar energy generation and nucleosynthesis. For each reaction, the Monte Carlo reaction rate probability density functions, together with their lognormal approximations, are displayed graphically for selected temperatures in order to provide a visual impression. Our new reaction rates are appropriate for bare nuclei in the laboratory. The nuclear physics input used to derive our reaction rates is presented in the subsequent paper of this series (Paper III). In the fourth paper of this series (Paper IV) we compare our new reaction rates to previous results.

  4. Thermodynamics and Structural Properties of the High Density Gaussian Core Model

    E-Print Network [OSTI]

    Atsushi Ikeda; Kunimasa Miyazaki

    2011-07-20T23:59:59.000Z

    We numerically study thermodynamic and structural properties of the one-component Gaussian core model (GCM) at very high densities. The solid-fluid phase boundary is carefully determined. We find that the density dependence of both the freezing and melting temperatures obey the asymptotic relation, $\\log T_f$, $\\log T_m \\propto -\\rho^{2/3}$, where $\\rho$ is the number density, which is consistent with Stillinger's conjecture. Thermodynamic quantities such as the energy and pressure and the structural functions such as the static structure factor are also investigated in the fluid phase for a wide range of temperature above the phase boundary. We compare the numerical results with the prediction of the liquid theory with the random phase approximation (RPA). At high temperatures, the results are in almost perfect agreement with RPA for a wide range of density, as it has been already shown in the previous studies. In the low temperature regime close to the phase boundary line, although RPA fails to describe the structure factors and the radial distribution functions at the length scales of the interparticle distance, it successfully predicts their behaviors at shorter length scales. RPA also predicts thermodynamic quantities such as the energy, pressure, and the temperature at which the thermal expansion coefficient becomes negative, almost perfectly. Striking ability of RPA to predict thermodynamic quantities even at high densities and low temperatures is understood in terms of the decoupling of the length scales which dictate thermodynamic quantities from the interparticle distance which dominates the peak structures of the static structure factor due to the softness of the Gaussian core potential.

  5. Measuring the entanglement of analogue Hawking radiation by the density-density correlation function

    E-Print Network [OSTI]

    Steinhauer, Jeff

    2015-01-01T23:59:59.000Z

    We theoretically study the entanglement of Hawking radiation emitted by an analogue black hole. We find that this entanglement can be measured by the experimentally accessible density-density correlation function, which only requires standard imaging techniques. It is seen that the high energy tail of the distribution of Hawking radiation should be entangled, whereas the low energy part is not. This confirms a previous numerical study. The full Peres-Horodecki criterion is considered, but a significant simplification is found in the stationary, homogeneous case. Our method applies to systems which are sufficiently cold that the thermal phonons can be neglected.

  6. Approximation of lateral distribution of atmospheric Cherenkov light at different observation levels for different primary particles. Applications for cosmic ray studies

    E-Print Network [OSTI]

    Alexander Mishev; Strashimir Mavrodiev; Jordan Stamenov

    2005-11-30T23:59:59.000Z

    This work summarizes the results presented at 29th International Cosmic Ray Conference in Pune India. Generally the aim of this work is to obtain the lateral distribution of the atmospheric Cherenkov light in extensive air showers produced by different primary particles in wide energy range and at several observation levels and to fit the obtained lateral distributions. Using one large detector and partially modified CORSIKA code version are obtained the lateral distributions of Cherenkov light flux densities at several observation levels for different particle primaries precisely at 536 g/cm2 Chacaltaya, 700 g/cm2 Moussala and 875 g/cm2 Kartalska field observation levels for hadronic primaries and gamma quanta in the energy range 1011 eV-1016 eV. On the basis of the solution of over-determined inverse problem the approximation of these distributions is obtained. The same model function for all the primaries is used and for the different observation levels. The different model parameters for the different primaries and levels are obtained. The approximations are compared with polynomial approximation obtained with different method. Both approximations are used for detector efficiency estimation for the different experiments in preparation and estimation of the accuracy of the reconstruction techniques. At the same time inclined showers up to 30 degrees zenith angle are studied at Chacaltaya observation level. The obtained lateral distributions of vertical showers are compared with vertical showers model and the previously obtained approximation. This permits to adjust the reconstruction strategy and to study the model parameters behavior.

  7. New density estimation methods for charged particle beams with applications to microbunching instability

    SciTech Connect (OSTI)

    Terzic, B.; Bassi, G.

    2011-07-08T23:59:59.000Z

    In this paper we discuss representations of charge particle densities in particle-in-cell simulations, analyze the sources and profiles of the intrinsic numerical noise, and present efficient methods for their removal. We devise two alternative estimation methods for charged particle distribution which represent significant improvement over the Monte Carlo cosine expansion used in the 2D code of Bassi et al. [G. Bassi, J.A. Ellison, K. Heinemann and R. Warnock Phys. Rev. ST Accel. Beams 12 080704 (2009)G. Bassi and B. Terzic, in Proceedings of the 23rd Particle Accelerator Conference, Vancouver, Canada, 2009 (IEEE, Piscataway, NJ, 2009), TH5PFP043], designed to simulate coherent synchrotron radiation (CSR) in charged particle beams. The improvement is achieved by employing an alternative beam density estimation to the Monte Carlo cosine expansion. The representation is first binned onto a finite grid, after which two grid-based methods are employed to approximate particle distributions: (i) truncated fast cosine transform; and (ii) thresholded wavelet transform (TWT). We demonstrate that these alternative methods represent a staggering upgrade over the original Monte Carlo cosine expansion in terms of efficiency, while the TWT approximation also provides an appreciable improvement in accuracy. The improvement in accuracy comes from a judicious removal of the numerical noise enabled by the wavelet formulation. The TWT method is then integrated into the CSR code [G. Bassi, J.A. Ellison, K. Heinemann and R. Warnock Phys. Rev. ST Accel. Beams 12 080704 (2009)], and benchmarked against the original version. We show that the new density estimation method provides a superior performance in terms of efficiency and spatial resolution, thus enabling high-fidelity simulations of CSR effects, including microbunching instability.

  8. Ternary liquid mixture viscosities and densities

    SciTech Connect (OSTI)

    Wei, I.C.; Rowley, R.L.

    1984-01-01T23:59:59.000Z

    Liquid mixture viscosities and densities have been measured at 298.15 K and ambient pressure for 20 ternary systems. Twelve ternary compositions, encompassing the entire composition range, have been chosen for each system in an effort to test a newly proposed predictive equation based on local compositions. Viscosities calculated by using the local composition model agreed with the experimental data within an average absolute deviation of 6.4%. No adjustable parameters were used and only binary interactions in the form of NRTL constants were input. The results of these studies indicate that the local composition model predictions are generally as good for multicomponent systems as they are for the corresponding binaries. 24 references, 3 tables.

  9. Competition between superconductivity and spin density wave

    E-Print Network [OSTI]

    Tian De Cao

    2012-08-25T23:59:59.000Z

    The Hubbard model has been investigated widely by many authors, while this work may be new in two aspects. One, we focus on the possible effects of the positions of the gaps associated with the pairing and the spin density wave. Two, we suggest that the models with different parameters are appropriate for different materials (or a material in different doped regions). This will lead to some new insights into the high temperature superconductors. It is shown that the SDW can appear at some temperature region when the on-site Coulomb interaction is larger, while the SC requires a decreased U at a lower temperature. This can qualitatively explain the relationship between superconducting and pseudogap states of Cu-based superconductors in underdoped and optimally doped regions. The superinsulator is also discussed.

  10. Band terminations in density functional theory

    E-Print Network [OSTI]

    A. V. Afanasjev

    2009-02-01T23:59:59.000Z

    The analysis of the terminating bands has been performed in the relativistic mean field framework. It was shown that nuclear magnetism provides an additional binding to the energies of the specific configuration and this additional binding increases with spin and has its {\\it maximum} exactly at the terminating state. This suggests that the terminating states can be an interesting probe of the time-odd mean fields {\\it provided that other effects can be reliably isolated.} Unfortunately, a reliable isolation of these effects is not that simple: many terms of the density functional theories contribute into the energies of the terminating states and the deficiencies in the description of those terms affect the result. The recent suggestion \\cite{ZSW.05} that the relative energies of the terminating states in the $N \

  11. High energy density redox flow device

    DOE Patents [OSTI]

    Chiang, Yet-Ming; Carter, W. Craig; Ho, Bryan Y; Duduta, Mihai; Limthongkul, Pimpa

    2014-05-13T23:59:59.000Z

    Redox flow devices are described in which at least one of the positive electrode or negative electrode-active materials is a semi-solid or is a condensed ion-storing electroactive material, and in which at least one of the electrode-active materials is transported to and from an assembly at which the electrochemical reaction occurs, producing electrical energy. The electronic conductivity of the semi-solid is increased by the addition of conductive particles to suspensions and/or via the surface modification of the solid in semi-solids (e.g., by coating the solid with a more electron conductive coating material to increase the power of the device). High energy density and high power redox flow devices are disclosed. The redox flow devices described herein can also include one or more inventive design features. In addition, inventive chemistries for use in redox flow devices are also described.

  12. A New Approximation Scheme for the Group Steiner Problem C. S. Helvig Gabriel Robins Alexander Zelikovsky

    E-Print Network [OSTI]

    Zelikovsky, Alexander

    correspond to a group of up to eight nodes in the Group #3; This work was supported by a Packard Foundation a group of up to eight virtual positions (c). The only existing approximation algorithms for the GroupA New Approximation Scheme for the Group Steiner Problem #3; C. S. Helvig Gabriel Robins Alexander

  13. Logic-Based Outer-Approximation Algorithm for Solving Discrete-Continuous Dynamic

    E-Print Network [OSTI]

    Grossmann, Ignacio E.

    In this work we present an extension of the Logic Outer-Approximation algorithm for deal- ing with disjunctive.e. the control actions) may involve logic decisions that can be modeled as disjunctions [16], [17] giving riseLogic-Based Outer-Approximation Algorithm for Solving Discrete-Continuous Dynamic Optimization

  14. LOW DIMENSIONAL POLYTOPE APPROXIMATION AND ITS APPLICATIONS TO NONNEGATIVE MATRIX FACTORIZATION

    E-Print Network [OSTI]

    factorization is recast as the problem of approximating a polytope on the probability simplex by another polytope with fewer facets. Working on the probability simplex has the advantage that data are limited, polytope approximation, probability simplex, supporting hyper- plane, Hahn-Banach theorem 1. Introduction

  15. On Computation of Approximate Joint Block-Diagonalization using Ordinary AJD

    E-Print Network [OSTI]

    Yeredor, Arie

    On Computation of Approximate Joint Block-Diagonalization using Ordinary AJD Petr Tichavský 1 2, 461 17 Liberec, Czech Republic Abstract. Approximate joint block diagonalization (AJBD) of a set, we prove that when the set is exactly jointly block-diagonalizable, perfect block

  16. 24 IEEE TRANSACTIONS ON NEURAL NETWORKS, VOL. 16, NO. 1, JANUARY 2005 Smooth Function Approximation Using

    E-Print Network [OSTI]

    Ferrari, Silvia

    , have become standard tools in regression and signal analysis involving input spaces with up to three di dimensional spaces [7]. For example, the majority of spline-based solutions for multivariate approximation- mensions [3]­[6]. However, much of univariate approximation theory does not generalize well to higher

  17. Wavelet-Based Piecewise Approximation of Steady-State Waveforms for

    E-Print Network [OSTI]

    Tse, Chi K. "Michael"

    Wavelet-Based Piecewise Approximation of Steady-State Waveforms for Power Electronics Circuits Kam Kong Polytechnic University, Hong Kong http://chaos.eie.polyu.edu.hk Abstract-- Wavelet transform has to maximize computational efficiency. In this paper, instead of applying one wavelet approximation

  18. What is Concurrent Programming? Course Outline (Approximate) Evaluation & Deadlines Engineering 9869

    E-Print Network [OSTI]

    Peters, Dennis

    What is Concurrent Programming? Course Outline (Approximate) Evaluation & Deadlines Engineering 9869 Advanced Concurrent Programming Introduction Dennis Peters1 Fall 2007 1 Throughout this course I will be borrowing from Dr. Theo Norvell #12;What is Concurrent Programming? Course Outline (Approximate) Evaluation

  19. Green's function approximation from cross-correlations of 20100 Hz noise during a tropical storm

    E-Print Network [OSTI]

    Gerstoft, Peter

    Green's function approximation from cross-correlations of 20­100 Hz noise during a tropical storm Approximation of Green's functions through cross-correlation of acoustic signals in the ocean, a method referred-bottom-reflected interarray hydrophone travel times. The extracted Green's function depends on the propagating noise

  20. Fast Approximations for Sums of Distances, Clustering and the Fermat-Weber Problem 1

    E-Print Network [OSTI]

    Morin, Pat

    Fast Approximations for Sums of Distances, Clustering and the Fermat-Weber Problem 1 Prosenjit Bose) time deterministic and O(n) time randomized #15;-approximation algorithm for the so called Fermat-Weber numbers [1]. A famous problem related to the function w is the Fermat-Weber problem [4] which asks

  1. A Simple Linear Time (1 + )-Approximation Algorithm for k-Means Clustering in Any Dimensions

    E-Print Network [OSTI]

    Sen, Sandeep

    A Simple Linear Time (1 + )-Approximation Algorithm for k-Means Clustering in Any Dimensions Amit@cse.iitd.ernet.in Abstract We present the first linear time (1+)-approximation al- gorithm for the k-means problem for fixed of the most popular definitions of cluster- ing is the k-means clustering problem. Given a set of points P

  2. Relaxations of Approximate Linear Programs for the Real Option Management of Commodity Storage

    E-Print Network [OSTI]

    Sadeh, Norman M.

    Relaxations of Approximate Linear Programs for the Real Option Management of Commodity Storage in practice. Focusing on commodity storage, we identify a deficiency of approximate linear programming, which their corresponding ALPs. Applied to existing natural gas storage instances, our ALP relaxations significantly

  3. Approximate Hierarchies of Linear Control Systems Antoine Girard and George J. Pappas

    E-Print Network [OSTI]

    Pappas, George J.

    . In Section II, we briefly present some existing results [11], [16] on abstraction using exact simulation to an approximate simulation relation. The main contributions of the paper are in Sections IV and V. In Section IV-- Recently, a hierarchical control approach based on the notion of approximate simulation relations has been

  4. Convex inner approximations of nonconvex semialgebraic sets applied to fixed-order controller

    E-Print Network [OSTI]

    Boyer, Edmond

    conditions, see also [9]. Convex polytopic inner approximations were also obtained in [16], for discrete-time stability, using reflection coefficients. Convex inner approximations make it possible to design stabiliz- ing controllers with the help of convex optimization techniques, at the price of loosing optimality w

  5. Improved approximation of the Brinkman equation using a lattice Boltzmann method

    E-Print Network [OSTI]

    Bentz, Dale P.

    conditions. The Brinkman equation3 is a generalization of Darcy's law that facilitates the matchingImproved approximation of the Brinkman equation using a lattice Boltzmann method by Nicos S. Martys;Improved approximation of the Brinkman equation using a lattice Boltzmann method Nicos S. Martys Building

  6. Semi-analytic approximations for production of atmospheric muons and neutrinos

    E-Print Network [OSTI]

    Thomas K. Gaisser

    2001-04-19T23:59:59.000Z

    Simple approximations for fluxes of atmospheric muons and muon neutrinos are developed which display explicitly how the fluxes depend on primary cosmic ray energy and on features of pion production. For energies of approximately 10 GeV and above the results are sufficiently accurate to calculate response functions and to use for estimates of systematic uncertainties.

  7. Adiabatic approximation, Gell-Mann and Low theorem and degeneracies: A pedagogical example

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Adiabatic approximation, Gell-Mann and Low theorem and degeneracies: A pedagogical example if the evolution operator has no limit for adiabatic switchings, the Gell-Mann and Low formula allows to follow approximation (obtained by two different limiting procedures) is either useless or wrong, and the Gell

  8. Beam Propagation Method Using a [(p -1)/p] Pade Approximant of the Propagator

    E-Print Network [OSTI]

    Lu, Ya Yan

    propagation method (BPM) is developed based on a direct approximation to the propagator using the [(p - 1)/p of the BPM. 1 Introduction The beam propagation method (BPM)1­4 is widely used in numerical simulation, the governing equation is a scalar Helmholtz equation. The BPM relies on approximating the Helmholtz equation

  9. A Union Bound Approximation for Rapid Performance Evaluation of Punctured Turbo Codes

    E-Print Network [OSTI]

    Cambridge, University of

    A Union Bound Approximation for Rapid Performance Evaluation of Punctured Turbo Codes Ioannis a simple technique to approximate the performance union bound of a punctured turbo code. The bound to calculate the most significant terms of the transfer function of a turbo encoder. We demonstrate that

  10. A fast, flexible, approximate technique for computing radiative transfer in inhomogeneous cloud fields

    E-Print Network [OSTI]

    Robert, Pincus

    A fast, flexible, approximate technique for computing radiative transfer in inhomogeneous cloud.-J. Morcrette, A fast, flexible, approximate technique for computing radiative transfer in inhomogeneous cloud, which computes fluxes at each level. [3] The description of clouds in current LSMs is quite simple: Most

  11. Approximate logic circuits for low overhead, non-intrusive concurrent error detection

    E-Print Network [OSTI]

    Mohanram, Kartik

    Approximate logic circuits for low overhead, non-intrusive concurrent error detection Mihir R for the synthesis of approximate logic circuits. A low overhead, non-intrusive solution for concurrent error as proposed in this paper. A low overhead, non-intrusive solution for CED based on ap- proximate

  12. Validation of the correctness of the Hald approximation in assessing tolerance

    SciTech Connect (OSTI)

    Gurevich, M. I., E-mail: gur.m@mail.ru; Kalugin, M. A.; Chukbar, B. K. [National Research Center Kurchatov Institute (Russian Federation)

    2014-12-15T23:59:59.000Z

    An analysis was performed of the correctness of employing the approximate formula which is widely used when assessing tolerances in the results of regression analysis. The correctness of approximation with the frequently used ratio between the probability and significance level equal to 95/95 is demonstrated. Conditions of application of the formula under stricter requirements, for example, 99/99, are formulated.

  13. ROBUST VIDEO RESTORATION BY JOINT SPARSE AND LOW RANK MATRIX APPROXIMATION

    E-Print Network [OSTI]

    Shen, Zuowei

    ROBUST VIDEO RESTORATION BY JOINT SPARSE AND LOW RANK MATRIX APPROXIMATION HUI JI, SIBIN HUANG, ZUOWEI SHEN, AND YUHONG XU Abstract. This paper presents a new video restoration scheme based domain, we formulate the video restoration problem as a joint sparse and low-rank matrix approximation

  14. Approximate model checking of stochastic hybrid systems , J.-P. Katoen

    E-Print Network [OSTI]

    Abate, Alessandro

    -room heating system. 1 Introduction Stochastic hybrid systems are a broad and widely applicable classApproximate model checking of stochastic hybrid systems A. Abate , J.-P. Katoen , J. Lygeros , and M. Prandini§ Abstract A method for approximate model checking of stochastic hybrid systems

  15. Search for A Lyapunov Function through Empirical Approximation by Artificial Neural Nets: Theoretical Framework

    E-Print Network [OSTI]

    Serpen, Gursel

    Search for A Lyapunov Function through Empirical Approximation by Artificial Neural Nets approximator for empirical modeling of a Lyapunov function for a nonlinear dynamic system that projects stable of designing the so-called Lyapunov neural network, which empirically models a Lyapunov function, is described

  16. Noisy Independent Factor Analysis Model for Density Estimation and Classification

    E-Print Network [OSTI]

    Amato, U.

    2009-06-09T23:59:59.000Z

    We consider the problem of multivariate density estimation when the unknown density is assumed to follow a particular form of dimensionality reduction, a noisy independent factor analysis (IFA) model. In this model the ...

  17. Experimental bond critical point and local energy density properties...

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

    Mn-O, Fe-O and Co-O bonded interactions for Abstract: Bond critical point, bcp, and local energy density properties for the electron density, ED, distributions, calculated with...

  18. Constrained Density-Functional Theory--Configuration Interaction

    E-Print Network [OSTI]

    Kaduk, Benjamin James

    2012-01-01T23:59:59.000Z

    In this thesis, I implemented a method for performing electronic structure calculations, "Constrained Density Functional Theory-- Configuration Interaction" (CDFT-CI), which builds upon the computational strengths of Density ...

  19. Nonparametric Comparison of Densities Based on Statistical Bootstrap

    E-Print Network [OSTI]

    Nonparametric Comparison of Densities Based on Statistical Bootstrap De Brabanter, K.1 , Sahhaf, S. Keywords: Statistical Bootstrap, Variance Stabilization, Least Squares Support Vector Machines, Hypothesis on statistical bootstrap with variance stabilization and a nonparametric kernel density estimator, assisting

  20. Innovative fuel designs for high power density pressurized water reactor

    E-Print Network [OSTI]

    Feng, Dandong, Ph. D. Massachusetts Institute of Technology

    2006-01-01T23:59:59.000Z

    One of the ways to lower the cost of nuclear energy is to increase the power density of the reactor core. Features of fuel design that enhance the potential for high power density are derived based on characteristics of ...