Science.gov

Sample records for dynamical approximation schemes

  1. Comparison of dynamical approximation schemes for nonlinear gravitaional clustering

    NASA Technical Reports Server (NTRS)

    Melott, Adrian L.

    1994-01-01

    We have recently conducted a controlled comparison of a number of approximations for gravitational clustering against the same n-body simulations. These include ordinary linear perturbation theory (Eulerian), the lognormal approximation, the adhesion approximation, the frozen-flow approximation, the Zel'dovich approximation (describable as first-order Lagrangian perturbation theory), and its second-order generalization. In the last two cases we also created new versions of the approximation by truncation, i.e., by smoothing the initial conditions with various smoothing window shapes and varying their sizes. The primary tool for comparing simulations to approximation schemes was cross-correlation of the evolved mass density fields, testing the extent to which mass was moved to the right place. The Zel'dovich approximation, with initial convolution with a Gaussian e(exp -k(exp 2)/k(sub G(exp 2)), where k(sub G) is adjusted to be just into the nonlinear regime of the evolved model (details in text) worked extremely well. Its second-order generalization worked slightly better. We recommend either n-body simulations or our modified versions of the Zel'dovich approximation, depending upon the purpose. The theoretical implication is that pancaking is implicit in all cosmological gravitational clustering, at least from Gaussian initial conditions, even when subcondensations are present. This in turn provides a natural explanation for the presence of sheets and filaments in the observed galaxy distribution. Use of the approximation scheme can permit extremely rapid generation of large numbers of realizations of model universes with good accuracy down to galaxy group mass scales.

  2. Stable boundary approximations for a class of implicit schemes for the one-dimensional inviscid equations of gas dynamics

    NASA Technical Reports Server (NTRS)

    Yee, H. C.; Beam, R. M.; Warming, R. F.

    1981-01-01

    The applicability to practical calculations of recent theoretical developments in the stability analysis of difference approximations for initial-boundary-value problems of the hyperbolic type. For the numerical experiments, select the one-dimensional inviscid gas-dynamic equations in conservation-law form is selected. A class of implicit schemes based on linear multistep methods for ordinary differential equations is chosen and the use of space or space-time extrapolations as implicit or explicit boundary schemes is emphasized. Some numerical examples with various inflow-outflow conditions highlight the commonly discussed issues: explicit versus implicit boundary schemes, unconditionally stable schemes, and underspecification or overspecification of boundary conditions.

  3. Comparison of dynamical approximation schemes for non-linear gravitational clustering

    NASA Technical Reports Server (NTRS)

    Melott, Adrian L.

    1994-01-01

    We have recently conducted a controlled comparison of a number of approximations for gravitational clustering against the same n-body simulations. These include ordinary linear perturbation theory (Eulerian), the adhesion approximation, the frozen-flow approximation, the Zel'dovich approximation (describable as first-order Lagrangian perturbation theory), and its second-order generalization. In the last two cases we also created new versions of approximation by truncation, i.e., smoothing the initial conditions by various smoothing window shapes and varying their sizes. The primary tool for comparing simulations to approximation schemes was crosscorrelation of the evolved mass density fields, testing the extent to which mass was moved to the right place. The Zel'dovich approximation, with initial convolution with a Gaussian e(exp -k(exp 2)/k(exp 2, sub G)) where k(sub G) is adjusted to be just into the nonlinear regime of the evolved model (details in text) worked extremely well. Its second-order generalization worked slightly better. All other schemes, including those proposed as generalizations of the Zel'dovich approximation created by adding forces, were in fact generally worse by this measure. By explicitly checking, we verified that the success of our best-choice was a result of the best treatment of the phases of nonlinear Fourier components. Of all schemes tested, the adhesion approximation produced the most accurate nonlinear power spectrum and density distribution, but its phase errors suggest mass condensations were moved to slightly the wrong location. Due to its better reproduction of the mass density distribution function and power spectrum, it might be preferred for some uses. We recommend either n-body simulations or our modified versions of the Zel'dovich approximation, depending upon the purpose. The theoretical implication is that pancaking is implicit in all cosmological gravitational clustering, at least from Gaussian initial conditions, even

  4. Comparison of dynamical approximation schemes for non-linear gravitational clustering

    NASA Astrophysics Data System (ADS)

    Melott, Adrian L.

    We have recently conducted a controlled comparison of a number of approximations for gravitational clustering against the same n-body simulations. These include ordinary linear perturbation theory (Eulerian), the adhesion approximation, the frozen-flow approximation, the Zel'dovich approximation (describable as first-order Lagrangian perturbation theory), and its second-order generalization. In the last two cases we also created new versions of approximation by truncation, i.e., smoothing the initial conditions by various smoothing window shapes and varying their sizes. The primary tool for comparing simulations to approximation schemes was crosscorrelation of the evolved mass density fields, testing the extent to which mass was moved to the right place. The Zel'dovich approximation, with initial convolution with a Gaussian e(exp -k(exp 2)/k(exp 2, sub G)) where k(sub G) is adjusted to be just into the nonlinear regime of the evolved model (details in text) worked extremely well. Its second-order generalization worked slightly better. All other schemes, including those proposed as generalizations of the Zel'dovich approximation created by adding forces, were in fact generally worse by this measure. By explicitly checking, we verified that the success of our best-choice was a result of the best treatment of the phases of nonlinear Fourier components. Of all schemes tested, the adhesion approximation produced the most accurate nonlinear power spectrum and density distribution, but its phase errors suggest mass condensations were moved to slightly the wrong location. Due to its better reproduction of the mass density distribution function and power spectrum, it might be preferred for some uses. We recommend either n-body simulations or our modified versions of the Zel'dovich approximation, depending upon the purpose. The theoretical implication is that pancaking is implicit in all cosmological gravitational clustering, at least from Gaussian initial conditions, even

  5. Approximate Bayesian computation scheme for parameter inference and model selection in dynamical systems

    PubMed Central

    Toni, Tina; Welch, David; Strelkowa, Natalja; Ipsen, Andreas; Stumpf, Michael P.H.

    2008-01-01

    Approximate Bayesian computation (ABC) methods can be used to evaluate posterior distributions without having to calculate likelihoods. In this paper, we discuss and apply an ABC method based on sequential Monte Carlo (SMC) to estimate parameters of dynamical models. We show that ABC SMC provides information about the inferability of parameters and model sensitivity to changes in parameters, and tends to perform better than other ABC approaches. The algorithm is applied to several well-known biological systems, for which parameters and their credible intervals are inferred. Moreover, we develop ABC SMC as a tool for model selection; given a range of different mathematical descriptions, ABC SMC is able to choose the best model using the standard Bayesian model selection apparatus. PMID:19205079

  6. Quark propagator in a truncation scheme beyond the rainbow approximation

    NASA Astrophysics Data System (ADS)

    Fu, Hui-Feng; Wang, Qing

    2016-01-01

    The quark propagator is studied under a truncation scheme beyond the rainbow approximation by dressing the quark-gluon vertex nonperturbatively. It is found that, in the chiral limit with dynamical symmetry breaking, the dynamical quark mass and the quark condensate are significantly enhanced due to the non-Abelian contribution arising from the three-gluon interaction compared to those under the rainbow approximation, and the critical strength of the dynamical chiral symmetry breaking is much lowered. The Abelian contribution is much smaller than the non-Abelian contribution. A technical issue on removing the ultraviolet divergences, including the overlapping divergences, is discussed.

  7. On Approximate Factorization Schemes for Solving the Full Potential Equation

    NASA Technical Reports Server (NTRS)

    Holst, Terry L.

    1997-01-01

    An approximate factorization scheme based on the AF2 algorithm is presented for solving the three-dimensional full potential equation for the transonic flow about isolated wings. Two spatial discretization variations are presented, one using a hybrid first-order/second-order-accurate scheme and the second using a fully second-order-accurate scheme. The present algorithm utilizes a C-H grid topology to map the flow field about the wing. One version of the AF2 iteration scheme is used on the upper wing surface and another slightly modified version is used on the lower surface. These two algorithm variations are then connected at the wing leading edge using a local iteration technique. The resulting scheme has improved linear stability characteristics and improved time-like damping characteristics relative to previous implementations of the AF2 algorithm. The presentation is highlighted with a grid refinement study and a number of numerical results.

  8. A class of difference schemes with flexible local approximation

    SciTech Connect

    Tsukerman, Igor . E-mail: igor@uakron.edu

    2006-01-20

    Solutions of many physical problems have salient local features that are qualitatively known a priori (for example, singularities at point sources, edge and corners; boundary layers; derivative jumps at material interfaces; strong dipole field components near polarized spherical particles; cusps of electronic wavefunctions at the nuclei; electrostatic double layers around colloidal particles, etc.) The known methods capable of providing flexible local approximation of such features include the generalized finite element - partition of unity method, special variational-difference schemes in broken Sobolev spaces, and a few other specialized techniques. In the proposed new class of Flexible Local Approximation MEthods (FLAME), a desirable set of local approximating functions (such as cylindrical or spherical harmonics, plane waves, harmonic polynomials, etc.) defines a finite difference scheme on a chosen grid stencil. One motivation is to minimize the notorious 'staircase' effect at curved and slanted interface boundaries. However, the new approach has much broader applications. As illustrative examples, the paper presents arbitrarily high order 3-point schemes for the 1D Schroedinger equation and a 1D singular equation, schemes for electrostatic interactions of colloidal particles, electromagnetic wave propagation and scattering, plasmon resonances. Moreover, many classical finite difference schemes, including the Collatz 'Mehrstellen' schemes, are direct particular cases of FLAME.

  9. A nonconservative scheme for isentropic gas dynamics

    SciTech Connect

    Chen, Gui-Qiang |; Liu, Jian-Guo

    1994-05-01

    In this paper, we construct a second-order nonconservative for the system of isentropic gas dynamics to capture the physical invariant regions for preventing negative density, to treat the vacuum singularity, and to control the local entropy from dramatically increasing near shock waves. The main difference in the construction of the scheme discussed here is that we use piecewise linear functions to approximate the Riemann invariants w and z instead of the physical variables {rho} and m. Our scheme is a natural extension of the schemes for scalar conservation laws and it can be numerical implemented easily because the system is diagonalized in this coordinate system. Another advantage of using Riemann invariants is that the Hessian matrix of any weak entropy has no singularity in the Riemann invariant plane w-z, whereas the Hessian matrices of the weak entropies have singularity at the vacuum points in the physical plane p-m. We prove that this scheme converges to an entropy solution for the Cauchy problem with L{sup {infinity}} initial data. By convergence here we mean that there is a subsequent convergence to a generalized solution satisfying the entrophy condition. As long as the entropy solution is unique, the whole sequence converges to a physical solution. This shows that this kind of scheme is quite reliable from theoretical view of point. In addition to being interested in the scheme itself, we wish to provide an approach to rigorously analyze nonconservative finite difference schemes.

  10. Level-treewidth property, exact algorithms and approximation schemes

    SciTech Connect

    Marathe, M.V.; Hunt, H.B.; Stearns, R.E.

    1997-06-01

    Informally, a class of graphs Q is said to have the level-treewidth property (LT-property) if for every G {element_of} Q there is a layout (breadth first ordering) L{sub G} such that the subgraph induced by the vertices in k-consecutive levels in the layout have treewidth O(f (k)), for some function f. We show that several important and well known classes of graphs including planar and bounded genus graphs, (r, s)-civilized graphs, etc, satisfy the LT-property. Building on the recent work, we present two general types of results for the class of graphs obeying the LT-property. (1) All problems in the classes MPSAT, TMAX and TMIN have polynomial time approximation schemes. (2) The problems considered in Eppstein have efficient polynomial time algorithms. These results can be extended to obtain polynomial time approximation algorithms and approximation schemes for a number of PSPACE-hard combinatorial problems specified using different kinds of succinct specifications studied in. Many of the results can also be extended to {delta}-near genus and {delta}-near civilized graphs, for any fixed {delta}. Our results significantly extend the work in and affirmatively answer recent open questions.

  11. Wavelet approximation of correlated wave functions. II. Hyperbolic wavelets and adaptive approximation schemes

    NASA Astrophysics Data System (ADS)

    Luo, Hongjun; Kolb, Dietmar; Flad, Heinz-Jurgen; Hackbusch, Wolfgang; Koprucki, Thomas

    2002-08-01

    We have studied various aspects concerning the use of hyperbolic wavelets and adaptive approximation schemes for wavelet expansions of correlated wave functions. In order to analyze the consequences of reduced regularity of the wave function at the electron-electron cusp, we first considered a realistic exactly solvable many-particle model in one dimension. Convergence rates of wavelet expansions, with respect to L2 and H1 norms and the energy, were established for this model. We compare the performance of hyperbolic wavelets and their extensions through adaptive refinement in the cusp region, to a fully adaptive treatment based on the energy contribution of individual wavelets. Although hyperbolic wavelets show an inferior convergence behavior, they can be easily refined in the cusp region yielding an optimal convergence rate for the energy. Preliminary results for the helium atom are presented, which demonstrate the transferability of our observations to more realistic systems. We propose a contraction scheme for wavelets in the cusp region, which reduces the number of degrees of freedom and yields a favorable cost to benefit ratio for the evaluation of matrix elements.

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

    SciTech Connect

    Ishii, Katsuyuki; Omata, Seiro

    2011-12-15

    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.

  13. Direct Eulerian MUSCL scheme for gas dynamics

    SciTech Connect

    Colella, P.

    1985-01-01

    The authors present a second order extension of Godunov's method for gas dynamics in Eulerian coordinates patterned after van Leer's MUSCL scheme for gas dynamics in Lagrangian coordinates. The present method performs the Eulerian calculation in a single step by solving Riemann problems and characteristic equations for the fluxes in the Eulerian frame. The authors also make several modifications in the formulation of MUSCL, applicable to both this scheme and to the original Lagrangian scheme, all aimed at making a more robust and accurate scheme. The authors present the results of test calculations in one and two space variables. 12 references, 5 figures.

  14. Stability analysis of intermediate boundary conditions in approximate factorization schemes

    NASA Technical Reports Server (NTRS)

    South, J. C., Jr.; Hafez, M. M.; Gottlieb, D.

    1986-01-01

    The paper discusses the role of the intermediate boundary condition in the AF2 scheme used by Holst for simulation of the transonic full potential equation. It is shown that the treatment suggested by Holst led to a restriction on the time step and ways to overcome this restriction are suggested. The discussion is based on the theory developed by Gustafsson, Kreiss, and Sundstrom and also on the von Neumann method.

  15. Dynamic Restarting Schemes for Eigenvalue Problems

    SciTech Connect

    Wu, Kesheng; Simon, Horst D.

    1999-03-10

    In studies of restarted Davidson method, a dynamic thick-restart scheme was found to be excellent in improving the overall effectiveness of the eigen value method. This paper extends the study of the dynamic thick-restart scheme to the Lanczos method for symmetric eigen value problems and systematically explore a range of heuristics and strategies. We conduct a series of numerical tests to determine their relative strength and weakness on a class of electronic structure calculation problems.

  16. Evaluating the Accuracy of Hessian Approximations for Direct Dynamics Simulations.

    PubMed

    Zhuang, Yu; Siebert, Matthew R; Hase, William L; Kay, Kenneth G; Ceotto, Michele

    2013-01-01

    Direct dynamics simulations are a very useful and general approach for studying the atomistic properties of complex chemical systems, since an electronic structure theory representation of a system's potential energy surface is possible without the need for fitting an analytic potential energy function. In this paper, recently introduced compact finite difference (CFD) schemes for approximating the Hessian [J. Chem. Phys.2010, 133, 074101] are tested by employing the monodromy matrix equations of motion. Several systems, including carbon dioxide and benzene, are simulated, using both analytic potential energy surfaces and on-the-fly direct dynamics. The results show, depending on the molecular system, that electronic structure theory Hessian direct dynamics can be accelerated up to 2 orders of magnitude. The CFD approximation is found to be robust enough to deal with chaotic motion, concomitant with floppy and stiff mode dynamics, Fermi resonances, and other kinds of molecular couplings. Finally, the CFD approximations allow parametrical tuning of different CFD parameters to attain the best possible accuracy for different molecular systems. Thus, a direct dynamics simulation requiring the Hessian at every integration step may be replaced with an approximate Hessian updating by tuning the appropriate accuracy. PMID:26589009

  17. Configuring Airspace Sectors with Approximate Dynamic Programming

    NASA Technical Reports Server (NTRS)

    Bloem, Michael; Gupta, Pramod

    2010-01-01

    In response to changing traffic and staffing conditions, supervisors dynamically configure airspace sectors by assigning them to control positions. A finite horizon airspace sector configuration problem models this supervisor decision. The problem is to select an airspace configuration at each time step while considering a workload cost, a reconfiguration cost, and a constraint on the number of control positions at each time step. Three algorithms for this problem are proposed and evaluated: a myopic heuristic, an exact dynamic programming algorithm, and a rollouts approximate dynamic programming algorithm. On problem instances from current operations with only dozens of possible configurations, an exact dynamic programming solution gives the optimal cost value. The rollouts algorithm achieves costs within 2% of optimal for these instances, on average. For larger problem instances that are representative of future operations and have thousands of possible configurations, excessive computation time prohibits the use of exact dynamic programming. On such problem instances, the rollouts algorithm reduces the cost achieved by the heuristic by more than 15% on average with an acceptable computation time.

  18. Spline Approximation of Thin Shell Dynamics

    NASA Technical Reports Server (NTRS)

    delRosario, R. C. H.; Smith, R. C.

    1996-01-01

    A spline-based method for approximating thin shell dynamics is presented here. While the method is developed in the context of the Donnell-Mushtari thin shell equations, it can be easily extended to the Byrne-Flugge-Lur'ye equations or other models for shells of revolution as warranted by applications. The primary requirements for the method include accuracy, flexibility and efficiency in smart material applications. To accomplish this, the method was designed to be flexible with regard to boundary conditions, material nonhomogeneities due to sensors and actuators, and inputs from smart material actuators such as piezoceramic patches. The accuracy of the method was also of primary concern, both to guarantee full resolution of structural dynamics and to facilitate the development of PDE-based controllers which ultimately require real-time implementation. Several numerical examples provide initial evidence demonstrating the efficacy of the method.

  19. Scheme for approximate conditional teleportation of an unknown atomic state without the Bell-state measurement

    SciTech Connect

    Zheng Shibiao

    2004-06-01

    We propose a scheme for approximately and conditionally teleporting an unknown atomic state in cavity QED. Our scheme does not involve the Bell-state measurement and thus an additional atom is unnecessary. Only two atoms and one single-mode cavity are required. The scheme may be used to teleport the state of a cavity mode to another mode using a single atom. The idea may also be used to teleport the state of a trapped ion.

  20. An efficient approximate factorization implicit scheme for the equations of gasdynamics

    NASA Technical Reports Server (NTRS)

    Barth, T. J.; Steger, J. L.

    1984-01-01

    An efficient implicit finite-difference algorithm for the gas dynamic equations utilizing matrix reduction techniques is presented. A significant reduction in arithmetic operations is achieved while maintaining the same favorable stability characteristics and generality found in the Beam and Warming approximate factorization algorithm. Steady-state solutions to the conservative Euler equations in generalized coordinates are obtained for transonic flows about a NACA 0012 airfoil. The theoretical extension of the matrix reduction technique to the full Navier-Stokes equations in Cartesian coordinates is presented in detail. Linear stability, using a Fourier stability analysis, is demonstrated and discussed for the one-dimensional Euler equations. It is shown that the method offers advantages over the conventional Beam and Warming scheme and can retrofit existing Beam and Warming codes with minimal effort.

  1. Information field dynamics for simulation scheme construction

    NASA Astrophysics Data System (ADS)

    Enßlin, Torsten A.

    2013-01-01

    Information field dynamics (IFD) is introduced here as a framework to derive numerical schemes for the simulation of physical and other fields without assuming a particular subgrid structure as many schemes do. IFD constructs an ensemble of nonparametric subgrid field configurations from the combination of the data in computer memory, representing constraints on possible field configurations, and prior assumptions on the subgrid field statistics. Each of these field configurations can formally be evolved to a later moment since any differential operator of the dynamics can act on fields living in continuous space. However, these virtually evolved fields need again a representation by data in computer memory. The maximum entropy principle of information theory guides the construction of updated data sets via entropic matching, optimally representing these field configurations at the later time. The field dynamics thereby become represented by a finite set of evolution equations for the data that can be solved numerically. The subgrid dynamics is thereby treated within auxiliary analytic considerations. The resulting scheme acts solely on the data space. It should provide a more accurate description of the physical field dynamics than simulation schemes constructed ad hoc, due to the more rigorous accounting of subgrid physics and the space discretization process. Assimilation of measurement data into an IFD simulation is conceptually straightforward since measurement and simulation data can just be merged. The IFD approach is illustrated using the example of a coarsely discretized representation of a thermally excited classical Klein-Gordon field. This should pave the way towards the construction of schemes for more complex systems like turbulent hydrodynamics.

  2. Information field dynamics for simulation scheme construction.

    PubMed

    Ensslin, Torsten A

    2013-01-01

    Information field dynamics (IFD) is introduced here as a framework to derive numerical schemes for the simulation of physical and other fields without assuming a particular subgrid structure as many schemes do. IFD constructs an ensemble of nonparametric subgrid field configurations from the combination of the data in computer memory, representing constraints on possible field configurations, and prior assumptions on the subgrid field statistics. Each of these field configurations can formally be evolved to a later moment since any differential operator of the dynamics can act on fields living in continuous space. However, these virtually evolved fields need again a representation by data in computer memory. The maximum entropy principle of information theory guides the construction of updated data sets via entropic matching, optimally representing these field configurations at the later time. The field dynamics thereby become represented by a finite set of evolution equations for the data that can be solved numerically. The subgrid dynamics is thereby treated within auxiliary analytic considerations. The resulting scheme acts solely on the data space. It should provide a more accurate description of the physical field dynamics than simulation schemes constructed ad hoc, due to the more rigorous accounting of subgrid physics and the space discretization process. Assimilation of measurement data into an IFD simulation is conceptually straightforward since measurement and simulation data can just be merged. The IFD approach is illustrated using the example of a coarsely discretized representation of a thermally excited classical Klein-Gordon field. This should pave the way towards the construction of schemes for more complex systems like turbulent hydrodynamics.

  3. Dynamical Vertex Approximation for the Hubbard Model

    NASA Astrophysics Data System (ADS)

    Toschi, Alessandro

    A full understanding of correlated electron systems in the physically relevant situations of three and two dimensions represents a challenge for the contemporary condensed matter theory. However, in the last years considerable progress has been achieved by means of increasingly more powerful quantum many-body algorithms, applied to the basic model for correlated electrons, the Hubbard Hamiltonian. Here, I will review the physics emerging from studies performed with the dynamical vertex approximation, which includes diagrammatic corrections to the local description of the dynamical mean field theory (DMFT). In particular, I will first discuss the phase diagram in three dimensions with a special focus on the commensurate and incommensurate magnetic phases, their (quantum) critical properties, and the impact of fluctuations on electronic lifetimes and spectral functions. In two dimensions, the effects of non-local fluctuations beyond DMFT grow enormously, determining the appearance of a low-temperature insulating behavior for all values of the interaction in the unfrustrated model: Here the prototypical features of the Mott-Hubbard metal-insulator transition, as well as the existence of magnetically ordered phases, are completely overwhelmed by antiferromagnetic fluctuations of exponentially large extension, in accordance with the Mermin-Wagner theorem. Eventually, by a fluctuation diagnostics analysis of cluster DMFT self-energies, the same magnetic fluctuations are identified as responsible for the pseudogap regime in the holed-doped frustrated case, with important implications for the theoretical modeling of the cuprate physics.

  4. On the Dynamics of TVD Schemes

    NASA Technical Reports Server (NTRS)

    Yee, H. C.; Sweby, P. K.; Kutler, Paul (Technical Monitor)

    1994-01-01

    The dynamics of a class of TVD schemes for model hyperbolic and parabolic equations is studied numerically using a highly parallel supercomputer (CM-5). The objective is to utilize the highly parallel property of the CM-5 to reveal the reliable time step and entropy parameter ranges, and the degree of compressible flux limiters to avoid slow convergence and the production of nonphysical numerical solutions. We choose to study the nonlinear stability property of TVD schemes numerically since it is otherwise not amenable analytically.

  5. An Eulerian scheme for the second-order approximation of subsurface transport moments

    NASA Astrophysics Data System (ADS)

    Naff, R. L.

    1994-05-01

    The moments of a conservative tracer cloud migrating in a mean uniform flow field are estimated using an operator approximation scheme; results are presented for the second, third, and fourth central moments in the mean flow direction. It is assumed that the spatially variable flow field, and therefore the tracer migration problem itself, is amenable to a probabilistic description; the effects of local dispersion on cloud migration are neglected in this study. Variation in the flow field is assumed to be the result of spatial variation in the hydraulic conductivity; spatial variation in porosity is assumed negligible. The operator approximation scheme, as implemented in this study, is second-order correct, which requires a second-order correct approximation of the velocity field correlation structure. Because estimation of the velocity correlation structure is decidedly the most difficult aspect of second-order analysis, an ad hoc extension of the imperfectly stratified approximation developed earlier is implemented for this purpose. The first-order approximation resulting from the operator expansion scheme is equivalent to small perturbation Eulerian results presented earlier (Naff, 1990, 1992). The infinite-order approximation resulting from this scheme is equivalent to the exponential operator results obtained by Van Kampen (1976).

  6. Towards syntactic characterizations of approximation schemes via predicate and graph decompositions

    SciTech Connect

    Hunt, H.B. III; Stearns, R.E.; Jacob, R.; Marathe, M.V.

    1998-12-01

    The authors present a simple extensible theoretical framework for devising polynomial time approximation schemes for problems represented using natural syntactic (algebraic) specifications endowed with natural graph theoretic restrictions on input instances. Direct application of the technique yields polynomial time approximation schemes for all the problems studied in [LT80, NC88, KM96, Ba83, DTS93, HM+94a, HM+94] as well as the first known approximation schemes for a number of additional combinatorial problems. One notable aspect of the work is that it provides insights into the structure of the syntactic specifications and the corresponding algorithms considered in [KM96, HM+94]. The understanding allows them to extend the class of syntactic specifications for which generic approximation schemes can be developed. The results can be shown to be tight in many cases, i.e. natural extensions of the specifications can be shown to yield non-approximable problems. The results provide a non-trivial characterization of a class of problems having a PTAS and extend the earlier work on this topic by [KM96, HM+94].

  7. Iterated upwind schemes for gas dynamics

    SciTech Connect

    Smolarkiewicz, Piotr K. Szmelter, Joanna

    2009-01-10

    A class of high-resolution schemes established in integration of anelastic equations is extended to fully compressible flows, and documented for unsteady (and steady) problems through a span of Mach numbers from zero to supersonic. The schemes stem from iterated upwind technology of the multidimensional positive definite advection transport algorithm (MPDATA). The derived algorithms employ standard and modified forms of the equations of gas dynamics for conservation of mass, momentum and either total or internal energy as well as potential temperature. Numerical examples from elementary wave propagation, through computational aerodynamics benchmarks, to atmospheric small- and large-amplitude acoustics with intricate wave-flow interactions verify the approach for both structured and unstructured meshes, and demonstrate its flexibility and robustness.

  8. Approximated solutions to Born-Infeld dynamics

    NASA Astrophysics Data System (ADS)

    Ferraro, Rafael; Nigro, Mauro

    2016-02-01

    The Born-Infeld equation in the plane is usefully captured in complex language. The general exact solution can be written as a combination of holomorphic and anti-holomorphic functions. However, this solution only expresses the potential in an implicit way. We rework the formulation to obtain the complex potential in an explicit way, by means of a perturbative procedure. We take care of the secular behavior common to this kind of approach, by resorting to a symmetry the equation has at the considered order of approximation. We apply the method to build approximated solutions to Born-Infeld electrodynamics. We solve for BI electromagnetic waves traveling in opposite directions. We study the propagation at interfaces, with the aim of searching for effects susceptible to experimental detection. In particular, we show that a reflected wave is produced when a wave is incident on a semi-space containing a magnetostatic field.

  9. Accelerated direct semiclassical molecular dynamics using a compact finite difference Hessian scheme.

    PubMed

    Ceotto, Michele; Zhuang, Yu; Hase, William L

    2013-02-01

    This paper shows how a compact finite difference Hessian approximation scheme can be proficiently implemented into semiclassical initial value representation molecular dynamics. Effects of the approximation on the monodromy matrix calculation are tested by propagating initial sampling distributions to determine power spectra for analytic potential energy surfaces and for "on the fly" carbon dioxide direct dynamics. With the approximation scheme the computational cost is significantly reduced, making ab initio direct semiclassical dynamics computationally more feasible and, at the same time, properly reproducing important quantum effects inherent in the monodromy matrix and the pre-exponential factor of the semiclassical propagator. PMID:23406107

  10. Accelerated direct semiclassical molecular dynamics using a compact finite difference Hessian scheme

    NASA Astrophysics Data System (ADS)

    Ceotto, Michele; Zhuang, Yu; Hase, William L.

    2013-02-01

    This paper shows how a compact finite difference Hessian approximation scheme can be proficiently implemented into semiclassical initial value representation molecular dynamics. Effects of the approximation on the monodromy matrix calculation are tested by propagating initial sampling distributions to determine power spectra for analytic potential energy surfaces and for "on the fly" carbon dioxide direct dynamics. With the approximation scheme the computational cost is significantly reduced, making ab initio direct semiclassical dynamics computationally more feasible and, at the same time, properly reproducing important quantum effects inherent in the monodromy matrix and the pre-exponential factor of the semiclassical propagator.

  11. On Godunov-type schemes for Lagrangian gas dynamics

    SciTech Connect

    Munz, C.D. )

    1994-02-01

    In this paper, Godunov-type schemes are considered for the equations of gas dynamics using Lagrangian coordinates. A Roe linearization is constructed for a general equation of state. It does not coincide with that for Eulerian coordinates. It is shown that this linearization fails in the vicinity of strong compressions, in the sense that the approximate Riemann solution contain unphysical states of negative specific volume. An algorithm to calculate a priori bounds for the smallest and largest signal velocity is obtained by correcting the signal velocities of this Roe linearization. These bounds are used within a very simple Godunov-type scheme which captures strong compressions very well. Numerical results are shown for several test problems.

  12. Implicit approximate-factorization schemes for the low-frequency transonic equation

    NASA Technical Reports Server (NTRS)

    Ballhaus, W. F.; Steger, J. L.

    1975-01-01

    Two- and three-level implicit finite-difference algorithms for the low-frequency transonic small disturbance-equation are constructed using approximate factorization techniques. The schemes are unconditionally stable for the model linear problem. For nonlinear mixed flows, the schemes maintain stability by the use of conservatively switched difference operators for which stability is maintained only if shock propagation is restricted to be less than one spatial grid point per time step. The shock-capturing properties of the schemes were studied for various shock motions that might be encountered in problems of engineering interest. Computed results for a model airfoil problem that produces a flow field similar to that about a helicopter rotor in forward flight show the development of a shock wave and its subsequent propagation upstream off the front of the airfoil.

  13. Relaxation approximations to second-order traffic flow models by high-resolution schemes

    SciTech Connect

    Nikolos, I.K.; Delis, A.I.; Papageorgiou, M.

    2015-03-10

    A relaxation-type approximation of second-order non-equilibrium traffic models, written in conservation or balance law form, is considered. Using the relaxation approximation, the nonlinear equations are transformed to a semi-linear diagonilizable problem with linear characteristic variables and stiff source terms with the attractive feature that neither Riemann solvers nor characteristic decompositions are in need. In particular, it is only necessary to provide the flux and source term functions and an estimate of the characteristic speeds. To discretize the resulting relaxation system, high-resolution reconstructions in space are considered. Emphasis is given on a fifth-order WENO scheme and its performance. The computations reported demonstrate the simplicity and versatility of relaxation schemes as numerical solvers.

  14. Gas Evolution Dynamics in Godunov-Type Schemes and Analysis of Numerical Shock Instability

    NASA Technical Reports Server (NTRS)

    Xu, Kun

    1999-01-01

    In this paper we are going to study the gas evolution dynamics of the exact and approximate Riemann solvers, e.g., the Flux Vector Splitting (FVS) and the Flux Difference Splitting (FDS) schemes. Since the FVS scheme and the Kinetic Flux Vector Splitting (KFVS) scheme have the same physical mechanism and similar flux function, based on the analysis of the discretized KFVS scheme the weakness and advantage of the FVS scheme are closely observed. The subtle dissipative mechanism of the Godunov method in the 2D case is also analyzed, and the physical reason for shock instability, i.e., carbuncle phenomena and odd-even decoupling, is presented.

  15. State space approximation for general fractional order dynamic systems

    NASA Astrophysics Data System (ADS)

    Liang, Shu; Peng, Cheng; Liao, Zeng; Wang, Yong

    2014-10-01

    Approximations for general fractional order dynamic systems are of much theoretical and practical interest. In this paper, a new approximate method for fractional order integrator is proposed. The poles of the approximate model are unrelated to the order of integrator. This feature shows benefits on extending the algorithm to the systems containing various fractional orders. Then a unified approximate method is derived for general fractional order linear or nonlinear dynamic systems via combining the proposed new method with the distributed frequency model approach. Numerical examples are given to show the wide applicability of our method and to illustrate the acceptable accuracy for approximations as well.

  16. Improved sampling and validation of frozen Gaussian approximation with surface hopping algorithm for nonadiabatic dynamics

    NASA Astrophysics Data System (ADS)

    Lu, Jianfeng; Zhou, Zhennan

    2016-09-01

    In the spirit of the fewest switches surface hopping, the frozen Gaussian approximation with surface hopping (FGA-SH) method samples a path integral representation of the non-adiabatic dynamics in the semiclassical regime. An improved sampling scheme is developed in this work for FGA-SH based on birth and death branching processes. The algorithm is validated for the standard test examples of non-adiabatic dynamics.

  17. Scheme for accelerating quantum tunneling dynamics

    NASA Astrophysics Data System (ADS)

    Khujakulov, Anvar; Nakamura, Katsuhiro

    2016-02-01

    We propose a scheme of the exact fast forwarding of standard quantum dynamics for a charged particle. The present idea allows the acceleration of both the amplitude and the phase of the wave function throughout the fast-forward time range and is distinct from that of Masuda and Nakamura [Proc. R. Soc. A 466, 1135 (2010), 10.1098/rspa.2009.0446], which enabled acceleration of only the amplitude of the wave function on the way. We apply the proposed method to the quantum tunneling phenomena and obtain the electromagnetic field to ensure the rapid penetration of wave functions through a tunneling barrier. Typical examples described here are (1) an exponential wave packet passing through the δ -function barrier and (2) the opened Moshinsky shutter with a δ -function barrier just behind the shutter. We elucidate the tunneling current in the vicinity of the barrier and find a remarkable enhancement of the tunneling rate (tunneling power) due to the fast forwarding. In the case of a very high barrier, in particular, we present the asymptotic analysis and exhibit a suitable driving force to recover a recognizable tunneling current. The analysis is also carried out on the exact acceleration of macroscopic quantum tunneling with use of the nonlinear Schrödinger equation, which accommodates a tunneling barrier.

  18. Development of highly accurate approximate scheme for computing the charge transfer integral.

    PubMed

    Pershin, Anton; Szalay, Péter G

    2015-08-21

    The charge transfer integral is a key parameter required by various theoretical models to describe charge transport properties, e.g., in organic semiconductors. The accuracy of this important property depends on several factors, which include the level of electronic structure theory and internal simplifications of the applied formalism. The goal of this paper is to identify the performance of various approximate approaches of the latter category, while using the high level equation-of-motion coupled cluster theory for the electronic structure. The calculations have been performed on the ethylene dimer as one of the simplest model systems. By studying different spatial perturbations, it was shown that while both energy split in dimer and fragment charge difference methods are equivalent with the exact formulation for symmetrical displacements, they are less efficient when describing transfer integral along the asymmetric alteration coordinate. Since the "exact" scheme was found computationally expensive, we examine the possibility to obtain the asymmetric fluctuation of the transfer integral by a Taylor expansion along the coordinate space. By exploring the efficiency of this novel approach, we show that the Taylor expansion scheme represents an attractive alternative to the "exact" calculations due to a substantial reduction of computational costs, when a considerably large region of the potential energy surface is of interest. Moreover, we show that the Taylor expansion scheme, irrespective of the dimer symmetry, is very accurate for the entire range of geometry fluctuations that cover the space the molecule accesses at room temperature. PMID:26298117

  19. Development of highly accurate approximate scheme for computing the charge transfer integral

    SciTech Connect

    Pershin, Anton; Szalay, Péter G.

    2015-08-21

    The charge transfer integral is a key parameter required by various theoretical models to describe charge transport properties, e.g., in organic semiconductors. The accuracy of this important property depends on several factors, which include the level of electronic structure theory and internal simplifications of the applied formalism. The goal of this paper is to identify the performance of various approximate approaches of the latter category, while using the high level equation-of-motion coupled cluster theory for the electronic structure. The calculations have been performed on the ethylene dimer as one of the simplest model systems. By studying different spatial perturbations, it was shown that while both energy split in dimer and fragment charge difference methods are equivalent with the exact formulation for symmetrical displacements, they are less efficient when describing transfer integral along the asymmetric alteration coordinate. Since the “exact” scheme was found computationally expensive, we examine the possibility to obtain the asymmetric fluctuation of the transfer integral by a Taylor expansion along the coordinate space. By exploring the efficiency of this novel approach, we show that the Taylor expansion scheme represents an attractive alternative to the “exact” calculations due to a substantial reduction of computational costs, when a considerably large region of the potential energy surface is of interest. Moreover, we show that the Taylor expansion scheme, irrespective of the dimer symmetry, is very accurate for the entire range of geometry fluctuations that cover the space the molecule accesses at room temperature.

  20. A scheme for approximate conditional teleportation of entangled two-mode cavity state without Bell state measurement

    NASA Astrophysics Data System (ADS)

    Zhong, Zhi-Rong

    2008-05-01

    An alternative scheme to approximately conditionally teleport entangled two-mode cavity state without Bell state measurement in cavity QED is proposed. The scheme is based on the resonant interaction of a ladder-type three-level atom with two bimodal cavities. The entangled cavity state is reconstructed with only one atom interacting with the two cavities successively.

  1. New parametric scheme of the resonance integrals at the INDO/1 approximation

    NASA Astrophysics Data System (ADS)

    da Motta Neto, Joaquim Delphino

    1997-11-01

    This thesis consists of two parts. In the first part, we examined the self-consistent equations of the Roothaan- Hall method from the point of view of the Pople- Beveridge-Dobosh (INDO) and Dewar (AM1) approximations. Then we suggest a new parametrization for the resonance integrals within the semiempirical INDO/1 Hamiltonian. This new parametrization scheme uses a modification of the Wolfsberg-Helmholz equation and is based on the Linderberg-Seamans-Zerner-Parr treatment of the resonance integrals. In the second part, chapters III through VII, we propose a new set of atomic parameters and analyze the results for a number of different systems, showing that the new method improves on the performance of previous methods both in geometries and spectroscopy.

  2. Approximate Bisimulation-Based Reduction of Power System Dynamic Models

    SciTech Connect

    Stankovic, AM; Dukic, SD; Saric, AT

    2015-05-01

    In this paper we propose approximate bisimulation relations and functions for reduction of power system dynamic models in differential- algebraic (descriptor) form. The full-size dynamic model is obtained by linearization of the nonlinear transient stability model. We generalize theoretical results on approximate bisimulation relations and bisimulation functions, originally derived for a class of constrained linear systems, to linear systems in descriptor form. An algorithm for transient stability assessment is proposed and used to determine whether the power system is able to maintain the synchronism after a large disturbance. Two benchmark power systems are used to illustrate the proposed algorithm and to evaluate the applicability of approximate bisimulation relations and bisimulation functions for reduction of the power system dynamic models.

  3. A multigrid LU-SSOR scheme for approximate Newton iteration applied to the Euler equations

    NASA Technical Reports Server (NTRS)

    Yoon, Seokkwan; Jameson, Antony

    1986-01-01

    A new efficient relaxation scheme in conjunction with a multigrid method is developed for the Euler equations. The LU SSOR scheme is based on a central difference scheme and does not need flux splitting for Newton iteration. Application to transonic flow shows that the new method surpasses the performance of the LU implicit scheme.

  4. On the dynamics of some grid adaption schemes

    NASA Technical Reports Server (NTRS)

    Sweby, Peter K.; Yee, Helen C.

    1994-01-01

    The dynamics of a one-parameter family of mesh equidistribution schemes coupled with finite difference discretisations of linear and nonlinear convection-diffusion model equations is studied numerically. It is shown that, when time marched to steady state, the grid adaption not only influences the stability and convergence rate of the overall scheme, but can also introduce spurious dynamics to the numerical solution procedure.

  5. A composite scheme for gas dynamics in Lagrangian coordinates

    SciTech Connect

    Shashkov, M.; Wendroff, B.

    1999-04-10

    One cycle of a composite finite difference scheme is defined as several time steps of an oscillatory scheme such as Lax-Wendroff followed by one step of a diffusive scheme such as Lax-Friedrichs. The authors apply this idea to gas dynamics in Lagrangian coordinates. They show numerical results in two dimensions for Noh`s infinite strength shock problem and the Sedov blast wave problem, and for several one-dimensional problems including a Riemann problem with a contact discontinuity. For Noh`s problem the composite scheme produces a better result than that obtained with a more conventional Lagrangian code.

  6. Dynamic Padé approximants for chemical center waves

    NASA Astrophysics Data System (ADS)

    Bose, Shubha; Bose, Subir; Ortoleva, P.

    1980-04-01

    A model of reaction and diffusion is shown to exhibit composition center waves. The analysis is based on a Padé approximant scheme carried out in a completely self-consistent way. Evidence is given to show that these patterns may exist over a domain of wave vectors (of the outer plane wave region) that may exceed that of plane waves but may have gaps of forbidden wave vectors. Furthermore multiple centers consistent with a given outer domain may exist. Chaotic centers with shock structures may also exist as attractors in systems which also have periodic center attractors under identical conditions.

  7. Numerical approximation of boundary conditions with applications to inviscid equations of gas dynamics

    NASA Technical Reports Server (NTRS)

    Yee, H. C.

    1981-01-01

    A comprehensive overview of the state of the art of well-posedness and stability analysis of difference approximations for initial boundary value problems of the hyperbolic type is presented. The applicability of recent theoretical development to practical calculations for nonlinear gas dynamics is examined. The one dimensional inviscid gas dynamics equations in conservation law form are selected for numerical experiments. The class of implicit schemes developed from linear multistep methods in ordinary differential equations is chosen and the use of linear extrapolation as an explicit or implicit boundary scheme is emphasized. Specification of boundary data in the primitive variables and computation in terms of the conservative variables in the interior is discussed. Some numerical examples for the quasi-one-dimensional nozzle are given.

  8. On approximate reasoning and minimal models for the development of robust outdoor vehicle navigation schemes

    SciTech Connect

    Pin, F.G.

    1993-11-01

    Outdoor sensor-based operation of autonomous robots has revealed to be an extremely challenging problem, mainly because of the difficulties encountered when attempting to represent the many uncertainties which are always present in the real world. These uncertainties are primarily due to sensor imprecisions and unpredictability of the environment, i.e., lack of full knowledge of the environment characteristics and dynamics. Two basic principles, or philosophies, and their associated methodologies are proposed in an attempt to remedy some of these difficulties. The first principle is based on the concept of ``minimal model`` for accomplishing given tasks and proposes to utilize only the minimum level of information and precision necessary to accomplish elemental functions of complex tasks. This approach diverges completely from the direction taken by most artificial vision studies which conventionally call for crisp and detailed analysis of every available component in the perception data. The paper will first review the basic concepts of this approach and will discuss its pragmatic feasibility when embodied in a behaviorist framework. The second principle which is proposed deals with implicit representation of uncertainties using Fuzzy Set Theory-based approximations and approximate reasoning, rather than explicit (crisp) representation through calculation and conventional propagation techniques. A framework which merges these principles and approaches is presented, and its application to the problem of sensor-based outdoor navigation of a mobile robot is discussed. Results of navigation experiments with a real car in actual outdoor environments are also discussed to illustrate the feasibility of the overall concept.

  9. An Energy Decaying Scheme for Nonlinear Dynamics of Shells

    NASA Technical Reports Server (NTRS)

    Bottasso, Carlo L.; Bauchau, Olivier A.; Choi, Jou-Young; Bushnell, Dennis M. (Technical Monitor)

    2000-01-01

    A novel integration scheme for nonlinear dynamics of geometrically exact shells is developed based on the inextensible director assumption. The new algorithm is designed so as to imply the strict decay of the system total mechanical energy at each time step, and consequently unconditional stability is achieved in the nonlinear regime. Furthermore, the scheme features tunable high frequency numerical damping and it is therefore stiffly accurate. The method is tested for a finite element spatial formulation of shells based on mixed interpolations of strain tensorial components and on a two-parameter representation of director rotations. The robustness of the, scheme is illustrated with the help of numerical examples.

  10. Stochastic Approximation of Dynamical Exponent at Quantum Critical Point

    NASA Astrophysics Data System (ADS)

    Suwa, Hidemaro; Yasuda, Shinya; Todo, Synge

    We have developed a unified finite-size scaling method for quantum phase transitions that requires no prior knowledge of the dynamical exponent z. During a quantum Monte Carlo simulation, the temperature is automatically tuned by the Robbins-Monro stochastic approximation method, being proportional to the lowest gap of the finite-size system. The dynamical exponent is estimated in a straightforward way from the system-size dependence of the temperature. As a demonstration of our novel method, the two-dimensional S = 1 / 2 quantum XY model, or equivalently the hard-core boson system, in uniform and staggered magnetic fields is investigated in the combination of the world-line quantum Monte Carlo worm algorithm. In the absence of a uniform magnetic field, we obtain the fully consistent result with the Lorentz invariance at the quantum critical point, z = 1 . Under a finite uniform magnetic field, on the other hand, the dynamical exponent becomes two, and the mean-field universality with effective dimension (2+2) governs the quantum phase transition. We will discuss also the system with random magnetic fields, or the dirty boson system, bearing a non-trivial dynamical exponent.Reference: S. Yasuda, H. Suwa, and S. Todo Phys. Rev. B 92, 104411 (2015); arXiv:1506.04837

  11. Novel coupling scheme to control dynamics of coupled discrete systems

    NASA Astrophysics Data System (ADS)

    Shekatkar, Snehal M.; Ambika, G.

    2015-08-01

    We present a new coupling scheme to control spatio-temporal patterns and chimeras on 1-d and 2-d lattices and random networks of discrete dynamical systems. The scheme involves coupling with an external lattice or network of damped systems. When the system network and external network are set in a feedback loop, the system network can be controlled to a homogeneous steady state or synchronized periodic state with suppression of the chaotic dynamics of the individual units. The control scheme has the advantage that its design does not require any prior information about the system dynamics or its parameters and works effectively for a range of parameters of the control network. We analyze the stability of the controlled steady state or amplitude death state of lattices using the theory of circulant matrices and Routh-Hurwitz criterion for discrete systems and this helps to isolate regions of effective control in the relevant parameter planes. The conditions thus obtained are found to agree well with those obtained from direct numerical simulations in the specific context of lattices with logistic map and Henon map as on-site system dynamics. We show how chimera states developed in an experimentally realizable 2-d lattice can be controlled using this scheme. We propose this mechanism can provide a phenomenological model for the control of spatio-temporal patterns in coupled neurons due to non-synaptic coupling with the extra cellular medium. We extend the control scheme to regulate dynamics on random networks and adapt the master stability function method to analyze the stability of the controlled state for various topologies and coupling strengths.

  12. High-order averaging schemes with error bounds for thermodynamical properties calculations by molecular dynamics simulations.

    PubMed

    Cancès, Eric; Castella, François; Chartier, Philippe; Faou, Erwan; Le Bris, Claude; Legoll, Frédéric; Turinici, Gabriel

    2004-12-01

    We introduce high-order formulas for the computation of statistical averages based on the long-time simulation of molecular dynamics trajectories. In some cases, this allows us to significantly improve the convergence rate of time averages toward ensemble averages. We provide some numerical examples that show the efficiency of our scheme. When trajectories are approximated using symplectic integration schemes (such as velocity Verlet), we give some error bounds that allow one to fix the parameters of the computation in order to reach a given desired accuracy in the most efficient manner. PMID:15549912

  13. High-order averaging schemes with error bounds for thermodynamical properties calculations by molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Cancès, Eric; Castella, François; Chartier, Philippe; Faou, Erwan; Le Bris, Claude; Legoll, Frédéric; Turinici, Gabriel

    2004-12-01

    We introduce high-order formulas for the computation of statistical averages based on the long-time simulation of molecular dynamics trajectories. In some cases, this allows us to significantly improve the convergence rate of time averages toward ensemble averages. We provide some numerical examples that show the efficiency of our scheme. When trajectories are approximated using symplectic integration schemes (such as velocity Verlet), we give some error bounds that allow one to fix the parameters of the computation in order to reach a given desired accuracy in the most efficient manner.

  14. Stochastic approximation of dynamical exponent at quantum critical point

    NASA Astrophysics Data System (ADS)

    Yasuda, Shinya; Suwa, Hidemaro; Todo, Synge

    2015-09-01

    We have developed a unified finite-size scaling method for quantum phase transitions that requires no prior knowledge of the dynamical exponent z . During a quantum Monte Carlo simulation, the temperature is automatically tuned by the Robbins-Monro stochastic approximation method, being proportional to the lowest gap of the finite-size system. The dynamical exponent is estimated in a straightforward way from the system-size dependence of the temperature. As a demonstration of our novel method, the two-dimensional S =1 /2 quantum X Y model in uniform and staggered magnetic fields is investigated in the combination of the world-line quantum Monte Carlo worm algorithm. In the absence of a uniform magnetic field, we obtain the fully consistent result with the Lorentz invariance at the quantum critical point, z =1 , i.e., the three-dimensional classical X Y universality class. Under a finite uniform magnetic field, on the other hand, the dynamical exponent becomes two, and the mean-field universality with effective dimension (2 +2 ) governs the quantum phase transition.

  15. Path integral molecular dynamics method based on a pair density matrix approximation: An algorithm for distinguishable and identical particle systems

    NASA Astrophysics Data System (ADS)

    Miura, Shinichi; Okazaki, Susumu

    2001-09-01

    In this paper, the path integral molecular dynamics (PIMD) method has been extended to employ an efficient approximation of the path action referred to as the pair density matrix approximation. Configurations of the isomorphic classical systems were dynamically sampled by introducing fictitious momenta as in the PIMD based on the standard primitive approximation. The indistinguishability of the particles was handled by a pseudopotential of particle permutation that is an extension of our previous one [J. Chem. Phys. 112, 10 116 (2000)]. As a test of our methodology for Boltzmann statistics, calculations have been performed for liquid helium-4 at 4 K. We found that the PIMD with the pair density matrix approximation dramatically reduced the computational cost to obtain the structural as well as dynamical (using the centroid molecular dynamics approximation) properties at the same level of accuracy as that with the primitive approximation. With respect to the identical particles, we performed the calculation of a bosonic triatomic cluster. Unlike the primitive approximation, the pseudopotential scheme based on the pair density matrix approximation described well the bosonic correlation among the interacting atoms. Convergence with a small number of discretization of the path achieved by this approximation enables us to construct a method of avoiding the problem of the vanishing pseudopotential encountered in the calculations by the primitive approximation.

  16. Simple finite element methods for approximating predator-prey dynamics in two dimensions using MATLAB.

    PubMed

    Garvie, Marcus R; Burkardt, John; Morgan, Jeff

    2015-03-01

    We describe simple finite element schemes for approximating spatially extended predator-prey dynamics with the Holling type II functional response and logistic growth of the prey. The finite element schemes generalize 'Scheme 1' in the paper by Garvie (Bull Math Biol 69(3):931-956, 2007). We present user-friendly, open-source MATLAB code for implementing the finite element methods on arbitrary-shaped two-dimensional domains with Dirichlet, Neumann, Robin, mixed Robin-Neumann, mixed Dirichlet-Neumann, and Periodic boundary conditions. Users can download, edit, and run the codes from http://www.uoguelph.ca/~mgarvie/ . In addition to discussing the well posedness of the model equations, the results of numerical experiments are presented and demonstrate the crucial role that habitat shape, initial data, and the boundary conditions play in determining the spatiotemporal dynamics of predator-prey interactions. As most previous works on this problem have focussed on square domains with standard boundary conditions, our paper makes a significant contribution to the area.

  17. Simple finite element methods for approximating predator-prey dynamics in two dimensions using MATLAB.

    PubMed

    Garvie, Marcus R; Burkardt, John; Morgan, Jeff

    2015-03-01

    We describe simple finite element schemes for approximating spatially extended predator-prey dynamics with the Holling type II functional response and logistic growth of the prey. The finite element schemes generalize 'Scheme 1' in the paper by Garvie (Bull Math Biol 69(3):931-956, 2007). We present user-friendly, open-source MATLAB code for implementing the finite element methods on arbitrary-shaped two-dimensional domains with Dirichlet, Neumann, Robin, mixed Robin-Neumann, mixed Dirichlet-Neumann, and Periodic boundary conditions. Users can download, edit, and run the codes from http://www.uoguelph.ca/~mgarvie/ . In addition to discussing the well posedness of the model equations, the results of numerical experiments are presented and demonstrate the crucial role that habitat shape, initial data, and the boundary conditions play in determining the spatiotemporal dynamics of predator-prey interactions. As most previous works on this problem have focussed on square domains with standard boundary conditions, our paper makes a significant contribution to the area. PMID:25616741

  18. Interlaced coarse-graining for the dynamical cluster approximation

    NASA Astrophysics Data System (ADS)

    Haehner, Urs; Staar, Peter; Jiang, Mi; Maier, Thomas; Schulthess, Thomas

    The negative sign problem remains a challenging limiting factor in quantum Monte Carlo simulations of strongly correlated fermionic many-body systems. The dynamical cluster approximation (DCA) makes this problem less severe by coarse-graining the momentum space to map the bulk lattice to a cluster embedded in a dynamical mean-field host. Here, we introduce a new form of an interlaced coarse-graining and compare it with the traditional coarse-graining. We show that it leads to more controlled results with weaker cluster shape and smoother cluster size dependence, which with increasing cluster size converge to the results obtained using the standard coarse-graining. In addition, the new coarse-graining reduces the severity of the fermionic sign problem. Therefore, it enables calculations on much larger clusters and can allow the evaluation of the exact infinite cluster size result via finite size scaling. To demonstrate this, we study the hole-doped two-dimensional Hubbard model and show that the interlaced coarse-graining in combination with the DCA+ algorithm permits the determination of the superconducting Tc on cluster sizes, for which the results can be fitted with the Kosterlitz-Thouless scaling law. This research used resources of the Oak Ridge Leadership Computing Facility (OLCF) awarded by the INCITE program, and of the Swiss National Supercomputing Center. OLCF is a DOE Office of Science User Facility supported under Contract DE-AC05-00OR22725.

  19. Dynamic obstacle avoidance using Bayesian Occupancy Filter and approximate inference.

    PubMed

    Llamazares, Angel; Ivan, Vladimir; Molinos, Eduardo; Ocaña, Manuel; Vijayakumar, Sethu

    2013-01-01

    The goal of this paper is to solve the problem of dynamic obstacle avoidance for a mobile platform using the stochastic optimal control framework to compute paths that are optimal in terms of safety and energy efficiency under constraints. We propose a three-dimensional extension of the Bayesian Occupancy Filter (BOF) (Coué et al. Int. J. Rob. Res. 2006, 25, 19-30) to deal with the noise in the sensor data, improving the perception stage. We reduce the computational cost of the perception stage by estimating the velocity of each obstacle using optical flow tracking and blob filtering. While several obstacle avoidance systems have been presented in the literature addressing safety and optimality of the robot motion separately, we have applied the approximate inference framework to this problem to combine multiple goals, constraints and priors in a structured way. It is important to remark that the problem involves obstacles that can be moving, therefore classical techniques based on reactive control are not optimal from the point of view of energy consumption. Some experimental results, including comparisons against classical algorithms that highlight the advantages, are presented. PMID:23529117

  20. Dynamic Obstacle Avoidance Using Bayesian Occupancy Filter and Approximate Inference

    PubMed Central

    Llamazares, Ángel; Ivan, Vladimir; Molinos, Eduardo; Ocaña, Manuel; Vijayakumar, Sethu

    2013-01-01

    The goal of this paper is to solve the problem of dynamic obstacle avoidance for a mobile platform by using the stochastic optimal control framework to compute paths that are optimal in terms of safety and energy efficiency under constraints. We propose a three-dimensional extension of the Bayesian Occupancy Filter (BOF) (Coué et al. Int. J. Rob. Res. 2006, 25, 19–30) to deal with the noise in the sensor data, improving the perception stage. We reduce the computational cost of the perception stage by estimating the velocity of each obstacle using optical flow tracking and blob filtering. While several obstacle avoidance systems have been presented in the literature addressing safety and optimality of the robot motion separately, we have applied the approximate inference framework to this problem to combine multiple goals, constraints and priors in a structured way. It is important to remark that the problem involves obstacles that can be moving, therefore classical techniques based on reactive control are not optimal from the point of view of energy consumption. Some experimental results, including comparisons against classical algorithms that highlight the advantages are presented. PMID:23529117

  1. Dynamical Scheme for Interferometric Measurements of Full-Counting Statistics

    NASA Astrophysics Data System (ADS)

    Dasenbrook, David; Flindt, Christian

    2016-09-01

    We propose a dynamical scheme for measuring the full-counting statistics in a mesoscopic conductor using an electronic Mach-Zehnder interferometer. The conductor couples capacitively to one arm of the interferometer and causes a phase shift which is proportional to the number of transferred charges. Importantly, the full-counting statistics can be obtained from average current measurements at the outputs of the interferometer. The counting field can be controlled by varying the time delay between two separate voltage signals applied to the conductor and the interferometer, respectively. As a specific application, we consider measuring the entanglement entropy generated by partitioning electrons on a quantum point contact. Our scheme is robust against moderate environmental dephasing and may be realized thanks to recent advances in gigahertz quantum electronics.

  2. Secure Dynamic access control scheme of PHR in cloud computing.

    PubMed

    Chen, Tzer-Shyong; Liu, Chia-Hui; Chen, Tzer-Long; Chen, Chin-Sheng; Bau, Jian-Guo; Lin, Tzu-Ching

    2012-12-01

    With the development of information technology and medical technology, medical information has been developed from traditional paper records into electronic medical records, which have now been widely applied. The new-style medical information exchange system "personal health records (PHR)" is gradually developed. PHR is a kind of health records maintained and recorded by individuals. An ideal personal health record could integrate personal medical information from different sources and provide complete and correct personal health and medical summary through the Internet or portable media under the requirements of security and privacy. A lot of personal health records are being utilized. The patient-centered PHR information exchange system allows the public autonomously maintain and manage personal health records. Such management is convenient for storing, accessing, and sharing personal medical records. With the emergence of Cloud computing, PHR service has been transferred to storing data into Cloud servers that the resources could be flexibly utilized and the operation cost can be reduced. Nevertheless, patients would face privacy problem when storing PHR data into Cloud. Besides, it requires a secure protection scheme to encrypt the medical records of each patient for storing PHR into Cloud server. In the encryption process, it would be a challenge to achieve accurately accessing to medical records and corresponding to flexibility and efficiency. A new PHR access control scheme under Cloud computing environments is proposed in this study. With Lagrange interpolation polynomial to establish a secure and effective PHR information access scheme, it allows to accurately access to PHR with security and is suitable for enormous multi-users. Moreover, this scheme also dynamically supports multi-users in Cloud computing environments with personal privacy and offers legal authorities to access to PHR. From security and effectiveness analyses, the proposed PHR access

  3. Reconstruction of time-dependent coefficients: A check of approximation schemes for non-Markovian convolutionless dissipative generators

    SciTech Connect

    Bellomo, Bruno; De Pasquale, Antonella; Gualdi, Giulia; Marzolino, Ugo

    2010-12-15

    We propose a procedure to fully reconstruct the time-dependent coefficients of convolutionless non-Markovian dissipative generators via a finite number of experimental measurements. By combining a tomography-based approach with a proper data sampling, our proposal allows to relate the time-dependent coefficients governing the dissipative evolution of a quantum system to experimentally accessible quantities. The proposed scheme not only provides a way to retrieve the full information about potentially unknown dissipative coefficients, but also, most valuably, can be employed as a reliable consistency test for the approximations involved in the theoretical derivation of a given non-Markovian convolutionless master equation.

  4. Conformational modes in biomolecules: Dynamics and approximate invariance

    NASA Astrophysics Data System (ADS)

    Potapov, Alex; Stepanova, Maria

    2012-02-01

    Understanding the physical mechanisms behind the folding and conformational dynamics of biomolecules is one of the major unsolved challenges of soft matter theory. In this contribution, a theoretical framework for biomolecular dynamics is introduced, employing selected aspects of statistical mechanics, dimensionality reduction, the perturbation theory, and the theory of matrices. Biomolecular dynamics is represented by time-dependent orthogonal conformational modes, the dynamics of the modes is investigated, and invariant properties that persist are identified. As an example, the dynamics of a human prion protein is considered. The theory provides a rigorous background for assessing the stable dynamical properties of biomolecules, such as their coarse-grained structure, through a multiscale approach using short subnanosecond segments of molecular dynamics trajectories. Furthermore, the paper offers a theoretical platform for models of conformational changes in macromolecules, which may allow complementing molecular dynamics simulations.

  5. Implicit-explicit Godunov schemes for unsteady gas dynamics

    SciTech Connect

    Collins, J.P.

    1992-12-31

    Hybrid implicit-explicit schemes are developed for Eulerian hydrodynamics in one and two space dimensions. The hybridization is a continuous switch and operates on each characteristic field separately. The explicit scheme is a version of the second order Godunov scheme; the implicit method is only first order accurate in time but leads to second order accurate steady states. This methodology is developed for linear advection, nonlinear scalar problems, hyperbolic constant co-efficient systems, and for gas dynamics. Truncation error and stability analyses are done for the linear cases. This implicit-explicit strategy is intended for problems with spatially or temporally localized stiffness in wave speeds. By stiffness we mean that the high speed modes contain very little energy, yet they determine the explicit time step through the CFL condition. For hydrodynamics, the main examples are nearly incompressible flow, flows with embedded boundary layers, and magnetohydrodynamics; the latter two examples are not treated here. Several numerical results are presented to demonstrate this method. These include, stable numerical shocks at very high CFL numbers, one-dimensional flow in a duct, and low Mach number shear layers.

  6. A novel dynamical community detection algorithm based on weighting scheme

    NASA Astrophysics Data System (ADS)

    Li, Ju; Yu, Kai; Hu, Ke

    2015-12-01

    Network dynamics plays an important role in analyzing the correlation between the function properties and the topological structure. In this paper, we propose a novel dynamical iteration (DI) algorithm, which incorporates the iterative process of membership vector with weighting scheme, i.e. weighting W and tightness T. These new elements can be used to adjust the link strength and the node compactness for improving the speed and accuracy of community structure detection. To estimate the optimal stop time of iteration, we utilize a new stability measure which is defined as the Markov random walk auto-covariance. We do not need to specify the number of communities in advance. It naturally supports the overlapping communities by associating each node with a membership vector describing the node's involvement in each community. Theoretical analysis and experiments show that the algorithm can uncover communities effectively and efficiently.

  7. Approximate supernova remnant dynamics with cosmic ray production

    NASA Technical Reports Server (NTRS)

    Voelk, H. J.; Drury, L. O.; Dorfi, E. A.

    1985-01-01

    Supernova explosions are the most violent and energetic events in the galaxy and have long been considered probably sources of Cosmic Rays. Recent shock acceleration models treating the Cosmic Rays (CR's) as test particles nb a prescribed Supernova Remnant (SNR) evolution, indeed indicate an approximate power law momentum distribution f sub source (p) approximation p(-a) for the particles ultimately injected into the Interstellar Medium (ISM). This spectrum extends almost to the momentum p = 1 million GeV/c, where the break in the observed spectrum occurs. The calculated power law index approximately less than 4.2 agrees with that inferred for the galactic CR sources. The absolute CR intensity can however not be well determined in such a test particle approximation.

  8. Dynamical observer for a flexible beam via finite element approximations

    NASA Technical Reports Server (NTRS)

    Manitius, Andre; Xia, Hong-Xing

    1994-01-01

    The purpose of this view-graph presentation is a computational investigation of the closed-loop output feedback control of a Euler-Bernoulli beam based on finite element approximation. The observer is part of the classical observer plus state feedback control, but it is finite-dimensional. In the theoretical work on the subject it is assumed (and sometimes proved) that increasing the number of finite elements will improve accuracy of the control. In applications, this may be difficult to achieve because of numerical problems. The main difficulty in computing the observer and simulating its work is the presence of high frequency eigenvalues in the finite-element model and poor numerical conditioning of some of the system matrices (e.g. poor observability properties) when the dimension of the approximating system increases. This work dealt with some of these difficulties.

  9. An Efficient Molecular Dynamics Scheme for Predicting Dopant Implant Profiles in Semiconductors

    SciTech Connect

    Beardmore, K.M.; Gronbech-Jensen, N.

    1998-09-15

    The authors present a highly efficient molecular dynamics scheme for calculating the concentration profile of dopants implanted in group-IV alloy, and III-V zinc blende structure materials. The program incorporates methods for reducing computational overhead, plus a rare event algorithm to give statistical accuracy over several orders of magnitude change in the dopant concentration. The code uses a molecular dynamics (MD) model, instead of the binary collision approximation (BCA) used in implant simulators such as TRIM and Marlowe, to describe ion-target interactions. Atomic interactions are described by a combination of 'many-body' and screened Coulomb potentials. Inelastic energy loss is accounted for using a Firsov model, and electronic stopping is described by a Brandt-Kitagawa model which contains the single adjustable parameter for the entire scheme. Thus, the program is easily extensible to new ion-target combinations with the minimum of tuning, and is predictive over a wide range of implant energies and angles. The scheme is especially suited for calculating profiles due to low energy, large angle implants, and for situations where a predictive capability is required with the minimum of experimental validation. They give examples of using their code to calculate concentration profiles and 2D 'point response' profiles of dopants in crystalline silicon, silicon-germanium blends, and gallium-arsenide. They can predict the experimental profiles over five orders of magnitude for <100> and <110> channeling and for non-channeling implants at energies up to hundreds of keV.

  10. FAST TRACK COMMUNICATION: An analytical approximation scheme to two-point boundary value problems of ordinary differential equations

    NASA Astrophysics Data System (ADS)

    Boisseau, Bruno; Forgács, Péter; Giacomini, Hector

    2007-03-01

    A new (algebraic) approximation scheme to find global solutions of two-point boundary value problems of ordinary differential equations (ODEs) is presented. The method is applicable for both linear and nonlinear (coupled) ODEs whose solutions are analytic near one of the boundary points. It is based on replacing the original ODEs by a sequence of auxiliary first-order polynomial ODEs with constant coefficients. The coefficients in the auxiliary ODEs are uniquely determined from the local behaviour of the solution in the neighbourhood of one of the boundary points. The problem of obtaining the parameters of the global (connecting) solutions, analytic at one of the boundary points, reduces to find the appropriate zeros of algebraic equations. The power of the method is illustrated by computing the approximate values of the 'connecting parameters' for a number of nonlinear ODEs arising in various problems in field theory. We treat in particular the static and rotationally symmetric global vortex, the skyrmion, the Abrikosov-Nielsen-Olesen vortex, as well as the 't Hooft-Polyakov magnetic monopole. The total energy of the skyrmion and of the monopole is also computed by the new method. We also consider some ODEs coming from the exact renormalization group. The ground-state energy level of the anharmonic oscillator is also computed for arbitrary coupling strengths with good precision.

  11. Approximate photochemical dynamics of azobenzene with reactive force fields

    SciTech Connect

    Li, Yan; Hartke, Bernd

    2013-12-14

    We have fitted reactive force fields of the ReaxFF type to the ground and first excited electronic states of azobenzene, using global parameter optimization by genetic algorithms. Upon coupling with a simple energy-gap transition probability model, this setup allows for completely force-field-based simulations of photochemical cis→trans- and trans→cis-isomerizations of azobenzene, with qualitatively acceptable quantum yields. This paves the way towards large-scale dynamics simulations of molecular machines, including bond breaking and formation (via the reactive force field) as well as photochemical engines (presented in this work)

  12. Wave packet dynamics in the optimal superadiabatic approximation

    NASA Astrophysics Data System (ADS)

    Betz, V.; Goddard, B. D.; Manthe, U.

    2016-06-01

    We explain the concept of superadiabatic representations and show how in the context of electronically non-adiabatic transitions they lead to an explicit formula that can be used to predict transitions at avoided crossings. Based on this formula, we present a simple method for computing wave packet dynamics across avoided crossings. Only knowledge of the adiabatic potential energy surfaces near the avoided crossing is required for the computation. In particular, this means that no diabatization procedure is necessary, the adiabatic electronic energies can be computed on the fly, and they only need to be computed to higher accuracy when an avoided crossing is detected. We test the quality of our method on the paradigmatic example of photo-dissociation of NaI, finding very good agreement with results of exact wave packet calculations.

  13. Wave packet dynamics in the optimal superadiabatic approximation.

    PubMed

    Betz, V; Goddard, B D; Manthe, U

    2016-06-14

    We explain the concept of superadiabatic representations and show how in the context of electronically non-adiabatic transitions they lead to an explicit formula that can be used to predict transitions at avoided crossings. Based on this formula, we present a simple method for computing wave packet dynamics across avoided crossings. Only knowledge of the adiabatic potential energy surfaces near the avoided crossing is required for the computation. In particular, this means that no diabatization procedure is necessary, the adiabatic electronic energies can be computed on the fly, and they only need to be computed to higher accuracy when an avoided crossing is detected. We test the quality of our method on the paradigmatic example of photo-dissociation of NaI, finding very good agreement with results of exact wave packet calculations. PMID:27305998

  14. On a class of TVD schemes for gas dynamic calculations. [Total Variation Diminishing

    NASA Technical Reports Server (NTRS)

    Yee, H. C.; Warming, R. F.; Harten, A.

    1985-01-01

    The purpose of this paper is to review a class of explicit and implicit second-order accurate Total Variation Diminishing (TVD) schemes and to show by numerical experiments, the performance of these schemes to the Euler equations of gas dynamics. The method of constructing these second-order accurate TVD schemes is sometimes known as the modified flux approach.

  15. Stress stiffening and approximate equations in flexible multibody dynamics

    NASA Technical Reports Server (NTRS)

    Padilla, Carlos E.; Vonflotow, Andreas H.

    1993-01-01

    A useful model for open chains of flexible bodies undergoing large rigid body motions, but small elastic deformations, is one in which the equations of motion are linearized in the small elastic deformations and deformation rates. For slow rigid body motions, the correctly linearized, or consistent, set of equations can be compared to prematurely linearized, or inconsistent, equations and to 'oversimplified,' or ruthless, equations through the use of open loop dynamic simulations. It has been shown that the inconsistent model should never be used, while the ruthless model should be used whenever possible. The consistent and inconsistent models differ by stress stiffening terms. These are due to zeroth-order stresses effecting virtual work via nonlinear strain-displacement terms. In this paper we examine in detail the nature of these stress stiffening terms and conclude that they are significant only when the associated zeroth-order stresses approach 'buckling' stresses. Finally it is emphasized that when the stress stiffening terms are negligible the ruthlessly linearized equations should be used.

  16. Dynamic remedial action scheme using online transient stability analysis

    NASA Astrophysics Data System (ADS)

    Shrestha, Arun

    Economic pressure and environmental factors have forced the modern power systems to operate closer to their stability limits. However, maintaining transient stability is a fundamental requirement for the operation of interconnected power systems. In North America, power systems are planned and operated to withstand the loss of any single or multiple elements without violating North American Electric Reliability Corporation (NERC) system performance criteria. For a contingency resulting in the loss of multiple elements (Category C), emergency transient stability controls may be necessary to stabilize the power system. Emergency control is designed to sense abnormal conditions and subsequently take pre-determined remedial actions to prevent instability. Commonly known as either Remedial Action Schemes (RAS) or as Special/System Protection Schemes (SPS), these emergency control approaches have been extensively adopted by utilities. RAS are designed to address specific problems, e.g. to increase power transfer, to provide reactive support, to address generator instability, to limit thermal overloads, etc. Possible remedial actions include generator tripping, load shedding, capacitor and reactor switching, static VAR control, etc. Among various RAS types, generation shedding is the most effective and widely used emergency control means for maintaining system stability. In this dissertation, an optimal power flow (OPF)-based generation-shedding RAS is proposed. This scheme uses online transient stability calculation and generator cost function to determine appropriate remedial actions. For transient stability calculation, SIngle Machine Equivalent (SIME) technique is used, which reduces the multimachine power system model to a One-Machine Infinite Bus (OMIB) equivalent and identifies critical machines. Unlike conventional RAS, which are designed using offline simulations, online stability calculations make the proposed RAS dynamic and adapting to any power system

  17. Development of new flux splitting schemes. [computational fluid dynamics algorithms

    NASA Technical Reports Server (NTRS)

    Liou, Meng-Sing; Steffen, Christopher J., Jr.

    1992-01-01

    Maximizing both accuracy and efficiency has been the primary objective in designing a numerical algorithm for computational fluid dynamics (CFD). This is especially important for solutions of complex three dimensional systems of Navier-Stokes equations which often include turbulence modeling and chemistry effects. Recently, upwind schemes have been well received for their capability in resolving discontinuities. With this in mind, presented are two new flux splitting techniques for upwind differencing. The first method is based on High-Order Polynomial Expansions (HOPE) of the mass flux vector. The second new flux splitting is based on the Advection Upwind Splitting Method (AUSM). The calculation of the hypersonic conical flow demonstrates the accuracy of the splitting in resolving the flow in the presence of strong gradients. A second series of tests involving the two dimensional inviscid flow over a NACA 0012 airfoil demonstrates the ability of the AUSM to resolve the shock discontinuity at transonic speed. A third case calculates a series of supersonic flows over a circular cylinder. Finally, the fourth case deals with tests of a two dimensional shock wave/boundary layer interaction.

  18. Improved dynamic ID-based authentication scheme for telecare medical information systems.

    PubMed

    Cao, Tianjie; Zhai, Jingxuan

    2013-04-01

    In order to protect users' identity privacy, Chen et al. proposed an efficient dynamic ID-based authentication scheme for telecare medical information systems. However, Chen et al.'s scheme has some weaknesses. In Chen et al.'s scheme, an attacker can track a user by a linkability attack or an off-line identity guessing attack. Chen et al.'s scheme is also vulnerable to an off-line password guessing attack and an undetectable on-line password guessing attack when user's smart card is stolen. In server side, Chen et al.'s scheme needs large computational load to authentication a legal user or reject an illegal user. To remedy the weaknesses in Chen et al.'s scheme, we propose an improved smart card based password authentication scheme. Our analysis shows that the improved scheme can overcome the weaknesses in Chen et al.'s scheme.

  19. Improved dynamic ID-based authentication scheme for telecare medical information systems.

    PubMed

    Cao, Tianjie; Zhai, Jingxuan

    2013-04-01

    In order to protect users' identity privacy, Chen et al. proposed an efficient dynamic ID-based authentication scheme for telecare medical information systems. However, Chen et al.'s scheme has some weaknesses. In Chen et al.'s scheme, an attacker can track a user by a linkability attack or an off-line identity guessing attack. Chen et al.'s scheme is also vulnerable to an off-line password guessing attack and an undetectable on-line password guessing attack when user's smart card is stolen. In server side, Chen et al.'s scheme needs large computational load to authentication a legal user or reject an illegal user. To remedy the weaknesses in Chen et al.'s scheme, we propose an improved smart card based password authentication scheme. Our analysis shows that the improved scheme can overcome the weaknesses in Chen et al.'s scheme. PMID:23345091

  20. Comparison of Implicit Schemes to Solve Equations of Radiation Hydrodynamics with a Flux-limited Diffusion Approximation: Newton--Raphson, Operator Splitting, and Linearization

    NASA Astrophysics Data System (ADS)

    Tetsu, Hiroyuki; Nakamoto, Taishi

    2016-03-01

    Radiation is an important process of energy transport, a force, and a basis for synthetic observations, so radiation hydrodynamics (RHD) calculations have occupied an important place in astrophysics. However, although the progress in computational technology is remarkable, their high numerical cost is still a persistent problem. In this work, we compare the following schemes used to solve the nonlinear simultaneous equations of an RHD algorithm with the flux-limited diffusion approximation: the Newton-Raphson (NR) method, operator splitting, and linearization (LIN), from the perspective of the computational cost involved. For operator splitting, in addition to the traditional simple operator splitting (SOS) scheme, we examined the scheme developed by Douglas & Rachford (DROS). We solve three test problems (the thermal relaxation mode, the relaxation and the propagation of linear waves, and radiating shock) using these schemes and then compare their dependence on the time step size. As a result, we find the conditions of the time step size necessary for adopting each scheme. The LIN scheme is superior to other schemes if the ratio of radiation pressure to gas pressure is sufficiently low. On the other hand, DROS can be the most efficient scheme if the ratio is high. Although the NR scheme can be adopted independently of the regime, especially in a problem that involves optically thin regions, the convergence tends to be worse. In all cases, SOS is not practical.

  1. Design and Analysis of a Dynamic Mobility Management Scheme for Wireless Mesh Network

    PubMed Central

    Roy, Sudipta

    2013-01-01

    Seamless mobility management of the mesh clients (MCs) in wireless mesh network (WMN) has drawn a lot of attention from the research community. A number of mobility management schemes such as mesh network with mobility management (MEMO), mesh mobility management (M3), and wireless mesh mobility management (WMM) have been proposed. The common problem with these schemes is that they impose uniform criteria on all the MCs for sending route update message irrespective of their distinct characteristics. This paper proposes a session-to-mobility ratio (SMR) based dynamic mobility management scheme for handling both internet and intranet traffic. To reduce the total communication cost, this scheme considers each MC's session and mobility characteristics by dynamically determining optimal threshold SMR value for each MC. A numerical analysis of the proposed scheme has been carried out. Comparison with other schemes shows that the proposed scheme outperforms MEMO, M3, and WMM with respect to total cost. PMID:24311982

  2. On the convergence of difference schemes for the equations of ocean dynamics

    NASA Astrophysics Data System (ADS)

    Drutsa, Alexey V.; Kobel'kov, Georgii M.

    2012-08-01

    The difference scheme which approximates the equations of large-scale ocean dynamics in a unit cube to the second degree in the space variables is investigated. It is shown that the solutions converge to the solution of the differential problem. Namely, under the assumption that the solution is sufficiently smooth it is proved that \\displaystyle \\max_{0\\le m\\le M}\\Vert{\\mathbf u}(m\\tau)-{\\mathbf v}^m\\Vert=O(\\tau+h^{3/2}),\\qquadM\\tau=T, where \\Vert\\cdot\\Vert is the grid L_2-norm with respect to the space variables, \\mathbf v is the solution of the grid problem, and \\mathbf u is the solution of the differential problem. Bibliography: 7 titles.

  3. On the convergence of difference schemes for the equations of ocean dynamics

    SciTech Connect

    Drutsa, Alexey V; Kobel'kov, Georgii M

    2012-08-31

    The difference scheme which approximates the equations of large-scale ocean dynamics in a unit cube to the second degree in the space variables is investigated. It is shown that the solutions converge to the solution of the differential problem. Namely, under the assumption that the solution is sufficiently smooth it is proved that (max)/0{<=}m{<=}M||u(m{tau})-v{sup m}||=O({tau}+h{sup 3/2}), M{tau}=T, where ||{center_dot}|| is the grid L{sub 2}-norm with respect to the space variables, v is the solution of the grid problem, and u is the solution of the differential problem. Bibliography: 7 titles.

  4. High resolution difference schemes for compressible gas dynamics

    SciTech Connect

    Woodward, P.; Colella, P.

    1980-07-30

    The advantages and disadvantages of four new high-resolution difference schemes, namely the von Neumann-Richtmyer, Godunovs, MUSCL and Glimms, for mathematically representing physical conditions in compressible gas flows are compared. (LCL)

  5. High Order Approximations for Compressible Fluid Dynamics on Unstructured and Cartesian Meshes

    NASA Technical Reports Server (NTRS)

    Barth, Timothy (Editor); Deconinck, Herman (Editor)

    1999-01-01

    The development of high-order accurate numerical discretization techniques for irregular domains and meshes is often cited as one of the remaining challenges facing the field of computational fluid dynamics. In structural mechanics, the advantages of high-order finite element approximation are widely recognized. This is especially true when high-order element approximation is combined with element refinement (h-p refinement). In computational fluid dynamics, high-order discretization methods are infrequently used in the computation of compressible fluid flow. The hyperbolic nature of the governing equations and the presence of solution discontinuities makes high-order accuracy difficult to achieve. Consequently, second-order accurate methods are still predominately used in industrial applications even though evidence suggests that high-order methods may offer a way to significantly improve the resolution and accuracy for these calculations. To address this important topic, a special course was jointly organized by the Applied Vehicle Technology Panel of NATO's Research and Technology Organization (RTO), the von Karman Institute for Fluid Dynamics, and the Numerical Aerospace Simulation Division at the NASA Ames Research Center. The NATO RTO sponsored course entitled "Higher Order Discretization Methods in Computational Fluid Dynamics" was held September 14-18, 1998 at the von Karman Institute for Fluid Dynamics in Belgium and September 21-25, 1998 at the NASA Ames Research Center in the United States. During this special course, lecturers from Europe and the United States gave a series of comprehensive lectures on advanced topics related to the high-order numerical discretization of partial differential equations with primary emphasis given to computational fluid dynamics (CFD). Additional consideration was given to topics in computational physics such as the high-order discretization of the Hamilton-Jacobi, Helmholtz, and elasticity equations. This volume consists

  6. An efficient scheme for sampling fast dynamics at a low average data acquisition rate.

    PubMed

    Philippe, A; Aime, S; Roger, V; Jelinek, R; Prévot, G; Berthier, L; Cipelletti, L

    2016-02-24

    We introduce a temporal scheme for data sampling, based on a variable delay between two successive data acquisitions. The scheme is designed so as to reduce the average data flow rate, while still retaining the information on the data evolution on fast time scales. The practical implementation of the scheme is discussed and demonstrated in light scattering and microscopy experiments that probe the dynamics of colloidal suspensions using CMOS or CCD cameras as detectors.

  7. Interpretation of ES, CS, and IOS approximations within a translational-internal coupling scheme. II. Application to atom-diatom kinetic cross sections

    NASA Astrophysics Data System (ADS)

    Coombe, D. A.; Snider, R. F.

    1980-02-01

    ES, CS, and IOS approximations to atom-diatom kinetic cross sections are derived. In doing so, reduced S-matrices in a translational-internal coupling scheme are stressed. This entails the insertion of recently obtained approximate reduced S-matrices in the translational-internal coupling scheme into previously derived general expressions for the kinetic cross sections. Of special interest is the structure (rotational j quantum number dependence) of the kinetic cross sections associated with the Senftleben Beenakker effects and of pure internal state relaxation phenomena. The viscomagnetic effect is used as an illustrative example. It is found in particular that there is a great similarity of structure between the energy sudden (and IOS) approximation and the previously derived distorted wave Born results.

  8. Approximated Stable Inversion for Nonlinear Systems with Nonhyperbolic Internal Dynamics. Revised

    NASA Technical Reports Server (NTRS)

    Devasia, Santosh

    1999-01-01

    A technique to achieve output tracking for nonminimum phase nonlinear systems with non- hyperbolic internal dynamics is presented. The present paper integrates stable inversion techniques (that achieve exact-tracking) with approximation techniques (that modify the internal dynamics) to circumvent the nonhyperbolicity of the internal dynamics - this nonhyperbolicity is an obstruction to applying presently available stable inversion techniques. The theory is developed for nonlinear systems and the method is applied to a two-cart with inverted-pendulum example.

  9. RIMBAY - a multi-approximation 3D ice-dynamics model for comprehensive applications: model description and examples

    NASA Astrophysics Data System (ADS)

    Thoma, M.; Grosfeld, K.; Barbi, D.; Determann, J.; Goeller, S.; Mayer, C.; Pattyn, F.

    2014-01-01

    Glaciers and ice caps exhibit currently the largest cryospheric contributions to sea level rise. Modelling the dynamics and mass balance of the major ice sheets is therefore an important issue to investigate the current state and the future response of the cryosphere in response to changing environmental conditions, namely global warming. This requires a powerful, easy-to-use, versatile multi-approximation ice dynamics model. Based on the well-known and established ice sheet model of Pattyn (2003) we develop the modular multi-approximation thermomechanic ice model RIMBAY, in which we improve the original version in several aspects like a shallow ice-shallow shelf coupler and a full 3D-grounding-line migration scheme based on Schoof's (2007) heuristic analytical approach. We summarise the full Stokes equations and several approximations implemented within this model and we describe the different numerical discretisations. The results are cross-validated against previous publications dealing with ice modelling, and some additional artificial set-ups demonstrate the robustness of the different solvers and their internal coupling. RIMBAY is designed for an easy adaption to new scientific issues. Hence, we demonstrate in very different set-ups the applicability and functionality of RIMBAY in Earth system science in general and ice modelling in particular.

  10. Adaptive finite-volume WENO schemes on dynamically redistributed grids for compressible Euler equations

    NASA Astrophysics Data System (ADS)

    Pathak, Harshavardhana S.; Shukla, Ratnesh K.

    2016-08-01

    A high-order adaptive finite-volume method is presented for simulating inviscid compressible flows on time-dependent redistributed grids. The method achieves dynamic adaptation through a combination of time-dependent mesh node clustering in regions characterized by strong solution gradients and an optimal selection of the order of accuracy and the associated reconstruction stencil in a conservative finite-volume framework. This combined approach maximizes spatial resolution in discontinuous regions that require low-order approximations for oscillation-free shock capturing. Over smooth regions, high-order discretization through finite-volume WENO schemes minimizes numerical dissipation and provides excellent resolution of intricate flow features. The method including the moving mesh equations and the compressible flow solver is formulated entirely on a transformed time-independent computational domain discretized using a simple uniform Cartesian mesh. Approximations for the metric terms that enforce discrete geometric conservation law while preserving the fourth-order accuracy of the two-point Gaussian quadrature rule are developed. Spurious Cartesian grid induced shock instabilities such as carbuncles that feature in a local one-dimensional contact capturing treatment along the cell face normals are effectively eliminated through upwind flux calculation using a rotated Hartex-Lax-van Leer contact resolving (HLLC) approximate Riemann solver for the Euler equations in generalized coordinates. Numerical experiments with the fifth and ninth-order WENO reconstructions at the two-point Gaussian quadrature nodes, over a range of challenging test cases, indicate that the redistributed mesh effectively adapts to the dynamic flow gradients thereby improving the solution accuracy substantially even when the initial starting mesh is non-adaptive. The high adaptivity combined with the fifth and especially the ninth-order WENO reconstruction allows remarkably sharp capture of

  11. The Retrospective Iterated Analysis Scheme for Nonlinear Chaotic Dynamics

    NASA Technical Reports Server (NTRS)

    Todling, Ricardo

    2002-01-01

    Atmospheric data assimilation is the name scientists give to the techniques of blending atmospheric observations with atmospheric model results to obtain an accurate idea of what the atmosphere looks like at any given time. Because two pieces of information are used, observations and model results, the outcomes of data assimilation procedure should be better than what one would get by using one of these two pieces of information alone. There is a number of different mathematical techniques that fall under the data assimilation jargon. In theory most these techniques accomplish about the same thing. In practice, however, slight differences in the approaches amount to faster algorithms in some cases, more economical algorithms in other cases, and even give better overall results in yet some other cases because of practical uncertainties not accounted for by theory. Therefore, the key is to find the most adequate data assimilation procedure for the problem in hand. In our Data Assimilation group we have been doing extensive research to try and find just such data assimilation procedure. One promising possibility is what we call retrospective iterated analysis (RIA) scheme. This procedure has recently been implemented and studied in the context of a very large data assimilation system built to help predict and study weather and climate. Although the results from that study suggest that the RIA scheme produces quite reasonable results, a complete evaluation of the scheme is very difficult due to the complexity of that problem. The present work steps back a little bit and studies the behavior of the RIA scheme in the context of a small problem. The problem is small enough to allow full assessment of the quality of the RIA scheme, but it still has some of the complexity found in nature, namely, its chaotic-type behavior. We find that the RIA performs very well for this small but still complex problem which is a result that seconds the results of our early studies.

  12. A new class of ensemble conserving algorithms for approximate quantum dynamics: Theoretical formulation and model problems

    SciTech Connect

    Smith, Kyle K. G.; Poulsen, Jens Aage Nyman, Gunnar; Rossky, Peter J.

    2015-06-28

    We develop two classes of quasi-classical dynamics that are shown to conserve the initial quantum ensemble when used in combination with the Feynman-Kleinert approximation of the density operator. These dynamics are used to improve the Feynman-Kleinert implementation of the classical Wigner approximation for the evaluation of quantum time correlation functions known as Feynman-Kleinert linearized path-integral. As shown, both classes of dynamics are able to recover the exact classical and high temperature limits of the quantum time correlation function, while a subset is able to recover the exact harmonic limit. A comparison of the approximate quantum time correlation functions obtained from both classes of dynamics is made with the exact results for the challenging model problems of the quartic and double-well potentials. It is found that these dynamics provide a great improvement over the classical Wigner approximation, in which purely classical dynamics are used. In a special case, our first method becomes identical to centroid molecular dynamics.

  13. A new class of ensemble conserving algorithms for approximate quantum dynamics: Theoretical formulation and model problems.

    PubMed

    Smith, Kyle K G; Poulsen, Jens Aage; Nyman, Gunnar; Rossky, Peter J

    2015-06-28

    We develop two classes of quasi-classical dynamics that are shown to conserve the initial quantum ensemble when used in combination with the Feynman-Kleinert approximation of the density operator. These dynamics are used to improve the Feynman-Kleinert implementation of the classical Wigner approximation for the evaluation of quantum time correlation functions known as Feynman-Kleinert linearized path-integral. As shown, both classes of dynamics are able to recover the exact classical and high temperature limits of the quantum time correlation function, while a subset is able to recover the exact harmonic limit. A comparison of the approximate quantum time correlation functions obtained from both classes of dynamics is made with the exact results for the challenging model problems of the quartic and double-well potentials. It is found that these dynamics provide a great improvement over the classical Wigner approximation, in which purely classical dynamics are used. In a special case, our first method becomes identical to centroid molecular dynamics.

  14. A new class of ensemble conserving algorithms for approximate quantum dynamics: Theoretical formulation and model problems.

    PubMed

    Smith, Kyle K G; Poulsen, Jens Aage; Nyman, Gunnar; Rossky, Peter J

    2015-06-28

    We develop two classes of quasi-classical dynamics that are shown to conserve the initial quantum ensemble when used in combination with the Feynman-Kleinert approximation of the density operator. These dynamics are used to improve the Feynman-Kleinert implementation of the classical Wigner approximation for the evaluation of quantum time correlation functions known as Feynman-Kleinert linearized path-integral. As shown, both classes of dynamics are able to recover the exact classical and high temperature limits of the quantum time correlation function, while a subset is able to recover the exact harmonic limit. A comparison of the approximate quantum time correlation functions obtained from both classes of dynamics is made with the exact results for the challenging model problems of the quartic and double-well potentials. It is found that these dynamics provide a great improvement over the classical Wigner approximation, in which purely classical dynamics are used. In a special case, our first method becomes identical to centroid molecular dynamics. PMID:26133415

  15. Dynamic approximate entropy electroanatomic maps detect rotors in a simulated atrial fibrillation model.

    PubMed

    Ugarte, Juan P; Orozco-Duque, Andrés; Tobón, Catalina; Kremen, Vaclav; Novak, Daniel; Saiz, Javier; Oesterlein, Tobias; Schmitt, Clauss; Luik, Armin; Bustamante, John

    2014-01-01

    There is evidence that rotors could be drivers that maintain atrial fibrillation. Complex fractionated atrial electrograms have been located in rotor tip areas. However, the concept of electrogram fractionation, defined using time intervals, is still controversial as a tool for locating target sites for ablation. We hypothesize that the fractionation phenomenon is better described using non-linear dynamic measures, such as approximate entropy, and that this tool could be used for locating the rotor tip. The aim of this work has been to determine the relationship between approximate entropy and fractionated electrograms, and to develop a new tool for rotor mapping based on fractionation levels. Two episodes of chronic atrial fibrillation were simulated in a 3D human atrial model, in which rotors were observed. Dynamic approximate entropy maps were calculated using unipolar electrogram signals generated over the whole surface of the 3D atrial model. In addition, we optimized the approximate entropy calculation using two real multi-center databases of fractionated electrogram signals, labeled in 4 levels of fractionation. We found that the values of approximate entropy and the levels of fractionation are positively correlated. This allows the dynamic approximate entropy maps to localize the tips from stable and meandering rotors. Furthermore, we assessed the optimized approximate entropy using bipolar electrograms generated over a vicinity enclosing a rotor, achieving rotor detection. Our results suggest that high approximate entropy values are able to detect a high level of fractionation and to locate rotor tips in simulated atrial fibrillation episodes. We suggest that dynamic approximate entropy maps could become a tool for atrial fibrillation rotor mapping.

  16. Restoration scheme for multi-failures based on protection ring with dynamic weight in WDM networks

    NASA Astrophysics Data System (ADS)

    Huang, Hai; Zhao, Yongli; Zhang, Jie; Wang, Dajiang; Gu, Wanyi

    2011-12-01

    A novel restoration scheme for multi-failures based on protection ring with dynamic weight (PRDW) is proposed in this paper. This scheme effectively resolves the multi-failures which is in one service and the conflicts by restoration between services. PRDW use Dijkstra's algorithm to compute path and protection ring. These rings rely on protection weight which is dynamic, so that they can as much as possible to divide multi-failures to single ones. Meanwhile PRDW introduce independent protection weight to balance load, which effectively gets combat for resources less vicious. Simulation results show that PRDW works better than traditional schemes.

  17. A Novel Dynamic Channel Access Scheme Using Overlap FFT Filter-Bank for Cognitive Radio

    NASA Astrophysics Data System (ADS)

    Tanabe, Motohiro; Umehira, Masahiro; Ishihara, Koichi; Takatori, Yasushi

    An OFDMA based channel access scheme is proposed for dynamic spectrum access to utilize frequency spectrum efficiently. Though the OFDMA based scheme is flexible enough to change the bandwidth and channel of the transmitted signals, the OFDMA signal has large PAPR (Peak to Average Power Ratio). In addition, if the OFDMA receiver does not use a filter to extract sub-carriers before FFT (Fast Fourier Transform) processing, the designated sub-carriers suffer large interference from the adjacent channel signals in the FFT processing on the receiving side. To solve the problems such as PAPR and adjacent channel interference encountered in the OFDMA based scheme, this paper proposes a novel dynamic channel access scheme using overlap FFT filter-bank based on single carrier modulation. It also shows performance evaluation results of the proposed scheme by computer simulation.

  18. Study on utility of an approximated transfer function of dynamically tuned dry gyro

    NASA Astrophysics Data System (ADS)

    Shingu, H.; Otsuki, M.; Hayano, T.

    The use of a dry gyro in analog rebalance loops is described and a method to improve the static and dynamic characteristics is presented. The transfer function is derived by transforming a generalized equation into the approximated form based on the design specifications of the mechanical parts. This approximation is proved to be reasonable by the result that the differences between the numerical solutions of a generalized equation and those of an approximated equation are less than 1.0%, and their mean values are less than 0.003%. Noninteracting control is analyzed and the stability conditions are investigated. A fundamental design conception for rebalance loops was established.

  19. Time-Stepping Approximation of Rigid-Body Dynamics with Perfect Unilateral Constraints. I: The Inelastic Impact Case

    NASA Astrophysics Data System (ADS)

    Paoli, L.

    2010-11-01

    We consider a discrete mechanical system with a non-trivial mass matrix, subjected to perfect unilateral constraints described by the geometrical inequalities {f_{α} (q) ≥q 0, α in \\{1, dots, ν\\} (ν ≥q 1)}. We assume that the transmission of the velocities at impact is governed by Newton’s Law with a coefficient of restitution e = 0 (so that the impact is inelastic). We propose a time-discretization of the second order differential inclusion describing the dynamics, which generalizes the scheme proposed in Paoli (J Differ Equ 211:247-281, 2005) and, for any admissible data, we prove the convergence of approximate motions to a solution of the initial-value problem.

  20. Dynamic Analyses of Result Quality in Energy-Aware Approximate Programs

    NASA Astrophysics Data System (ADS)

    RIngenburg, Michael F.

    Energy efficiency is a key concern in the design of modern computer systems. One promising approach to energy-efficient computation, approximate computing, trades off output precision for energy efficiency. However, this tradeoff can have unexpected effects on computation quality. This thesis presents dynamic analysis tools to study, debug, and monitor the quality and energy efficiency of approximate computations. We propose three styles of tools: prototyping tools that allow developers to experiment with approximation in their applications, online tools that instrument code to determine the key sources of error, and online tools that monitor the quality of deployed applications in real time. Our prototyping tool is based on an extension to the functional language OCaml. We add approximation constructs to the language, an approximation simulator to the runtime, and profiling and auto-tuning tools for studying and experimenting with energy-quality tradeoffs. We also present two online debugging tools and three online monitoring tools. The first online tool identifies correlations between output quality and the total number of executions of, and errors in, individual approximate operations. The second tracks the number of approximate operations that flow into a particular value. Our online tools comprise three low-cost approaches to dynamic quality monitoring. They are designed to monitor quality in deployed applications without spending more energy than is saved by approximation. Online monitors can be used to perform real time adjustments to energy usage in order to meet specific quality goals. We present prototype implementations of all of these tools and describe their usage with several applications. Our prototyping, profiling, and autotuning tools allow us to experiment with approximation strategies and identify new strategies, our online tools succeed in providing new insights into the effects of approximation on output quality, and our monitors succeed in

  1. Analytical approach to dynamics of transformed rotating-wave approximation with dephasing

    NASA Astrophysics Data System (ADS)

    Mirzaee, M.; Kamani, N.

    2013-09-01

    We study the dynamics of the Jaynes—Cummings model within transformed rotating-wave approximation (TRWA). We analyze this model coupled to a dephasing reservoir, through the Lindblad formalism in the master equation. Then, we examine the expectation value of the number operator. Finally, we investigate the validity of this model under dephasing using the Mandel parameter and the total number of quanta.

  2. Kinetic description of ionospheric dynamics in the three-fluid approximation

    NASA Technical Reports Server (NTRS)

    Comfort, R. H.

    1975-01-01

    Conservation equations are developed in the three-fluid approximation for general application problems of ionospheric dynamics in the altitude region 90 km to 800 km for all geographic locations. These equations are applied to a detailed study of auroral E region neutral winds and their relationship to ionospheric plasma motions.

  3. Hamilton-Jacobi-Bellman equations and approximate dynamic programming on time scales.

    PubMed

    Seiffertt, John; Sanyal, Suman; Wunsch, Donald C

    2008-08-01

    The time scales calculus is a key emerging area of mathematics due to its potential use in a wide variety of multidisciplinary applications. We extend this calculus to approximate dynamic programming (ADP). The core backward induction algorithm of dynamic programming is extended from its traditional discrete case to all isolated time scales. Hamilton-Jacobi-Bellman equations, the solution of which is the fundamental problem in the field of dynamic programming, are motivated and proven on time scales. By drawing together the calculus of time scales and the applied area of stochastic control via ADP, we have connected two major fields of research. PMID:18632378

  4. A Two-grid Algorithm for Implementation of Fully Conservative Difference Schemes of the Gas Dynamics Equations

    SciTech Connect

    Koleva, M. N.

    2008-10-30

    This study is proposing a two-grid algorithm for solving a fully conservative difference schemes (FCDS) for gas dynamics equations. In this two-level scheme, the fully nonlinear problem is solved on a coarse grid with space mesh step H. The nonlinearities are expanded about the coarse grid solution and an appropriate interpolation operator is used to provide values of the coarse grid solution on the fine grid. The resulting linear system is solved on a fine mesh with step size h. Applications in the computation of shock and rarefaction waves model problems illustrate the method's effectiveness. It is shown numerically, that the coarse grid can be much coarser than the fine grid and achieve optimal approximation as long as the mesh sizes satisfy H = O({radical}(h))

  5. A novel data hiding scheme for block truncation coding compressed images using dynamic programming strategy

    NASA Astrophysics Data System (ADS)

    Chang, Ching-Chun; Liu, Yanjun; Nguyen, Son T.

    2015-03-01

    Data hiding is a technique that embeds information into digital cover data. This technique has been concentrated on the spatial uncompressed domain, and it is considered more challenging to perform in the compressed domain, i.e., vector quantization, JPEG, and block truncation coding (BTC). In this paper, we propose a new data hiding scheme for BTC-compressed images. In the proposed scheme, a dynamic programming strategy was used to search for the optimal solution of the bijective mapping function for LSB substitution. Then, according to the optimal solution, each mean value embeds three secret bits to obtain high hiding capacity with low distortion. The experimental results indicated that the proposed scheme obtained both higher hiding capacity and hiding efficiency than the other four existing schemes, while ensuring good visual quality of the stego-image. In addition, the proposed scheme achieved a low bit rate as original BTC algorithm.

  6. Conservative form of interpolated differential operator scheme for compressible and incompressible fluid dynamics

    NASA Astrophysics Data System (ADS)

    Imai, Yohsuke; Aoki, Takayuki; Takizawa, Kenji

    2008-02-01

    The proposed scheme, which is a conservative form of the interpolated differential operator scheme (IDO-CF), can provide high accurate solutions for both compressible and incompressible fluid equations. Spatial discretizations with fourth-order accuracy are derived from interpolation functions locally constructed by both cell-integrated values and point values. These values are coupled and time-integrated by solving fluid equations in the flux forms for the cell-integrated values and in the derivative forms for the point values. The IDO-CF scheme exactly conserves mass, momentum, and energy, retaining the high resolution more than the non-conservative form of the IDO scheme. A direct numerical simulation of turbulence is carried out with comparable accuracy to that of spectral methods. Benchmark tests of Riemann problems and lid-driven cavity flows show that the IDO-CF scheme is immensely promising in compressible and incompressible fluid dynamics studies.

  7. Ballistic-diffusive approximation for the thermal dynamics of metallic nanoparticles in nanocomposite materials

    SciTech Connect

    Shirdel-Havar, A. H. Masoudian Saadabad, R.

    2015-03-21

    Based on ballistic-diffusive approximation, a method is presented to model heat transfer in nanocomposites containing metal nanoparticles. This method provides analytical expression for the temperature dynamics of metallic nanoparticles embedded in a dielectric medium. In this study, nanoparticles are considered as spherical shells, so that Boltzmann equation is solved using ballistic-diffusive approximation to calculate the electron and lattice thermal dynamics in gold nanoparticles, while thermal exchange between the particles is taken into account. The model was used to investigate the influence of particle size and metal concentration of the medium on the electron and lattice thermal dynamics. It is shown that these two parameters are crucial in determining the nanocomposite thermal behavior. Our results showed that the heat transfer rate from nanoparticles to the matrix decreases as the nanoparticle size increases. On the other hand, increasing the metal concentration of the medium can also decrease the heat transfer rate.

  8. New parallelizable schemes for integrating the Dissipative Particle Dynamics with Energy conservation.

    PubMed

    Homman, Ahmed-Amine; Maillet, Jean-Bernard; Roussel, Julien; Stoltz, Gabriel

    2016-01-14

    This work presents new parallelizable numerical schemes for the integration of dissipative particle dynamics with energy conservation. So far, no numerical scheme introduced in the literature is able to correctly preserve the energy over long times and give rise to small errors on average properties for moderately small time steps, while being straightforwardly parallelizable. We present in this article two new methods, both straightforwardly parallelizable, allowing to correctly preserve the total energy of the system. We illustrate the accuracy and performance of these new schemes both on equilibrium and nonequilibrium parallel simulations. PMID:26772559

  9. New parallelizable schemes for integrating the Dissipative Particle Dynamics with Energy conservation

    NASA Astrophysics Data System (ADS)

    Homman, Ahmed-Amine; Maillet, Jean-Bernard; Roussel, Julien; Stoltz, Gabriel

    2016-01-01

    This work presents new parallelizable numerical schemes for the integration of dissipative particle dynamics with energy conservation. So far, no numerical scheme introduced in the literature is able to correctly preserve the energy over long times and give rise to small errors on average properties for moderately small time steps, while being straightforwardly parallelizable. We present in this article two new methods, both straightforwardly parallelizable, allowing to correctly preserve the total energy of the system. We illustrate the accuracy and performance of these new schemes both on equilibrium and nonequilibrium parallel simulations.

  10. Diffusion in heterogeneous media: An iterative scheme for finding approximate solutions to fractional differential equations with time-dependent coefficients

    NASA Astrophysics Data System (ADS)

    Bologna, Mauro; Svenkeson, Adam; West, Bruce J.; Grigolini, Paolo

    2015-07-01

    Diffusion processes in heterogeneous media, and biological systems in particular, are riddled with the difficult theoretical issue of whether the true origin of anomalous behavior is renewal or memory, or a special combination of the two. Accounting for the possible mixture of renewal and memory sources of subdiffusion is challenging from a computational point of view as well. This problem is exacerbated by the limited number of techniques available for solving fractional diffusion equations with time-dependent coefficients. We propose an iterative scheme for solving fractional differential equations with time-dependent coefficients that is based on a parametric expansion in the fractional index. We demonstrate how this method can be used to predict the long-time behavior of nonautonomous fractional differential equations by studying the anomalous diffusion process arising from a mixture of renewal and memory sources.

  11. A Dynamic Probabilistic Based Broadcasting Scheme for MANETs.

    PubMed

    Shanmugam, Kannan; Subburathinam, Karthik; Palanisamy, Arunachalam Velayuthampalayam

    2016-01-01

    MANET is commonly known as Mobile Ad Hoc Network in which cluster of mobile nodes can communicate with each other without having any basic infrastructure. The basic characteristic of MANET is dynamic topology. Due to the dynamic behavior nature, the topology of the network changes very frequently, and this will lead to the failure of the valid route repeatedly. Thus, the process of finding the valid route leads to notable drop in the throughput of the network. To identify a new valid path to the targeted mobile node, available proactive routing protocols use simple broadcasting method known as simple flooding. The simple flooding method broadcasts the RREQ packet from the source to the rest of the nodes in mobile network. But the problem with this method is disproportionate repetitive retransmission of RREQ packet which could result in high contention on the available channel and packet collision due to extreme traffic in the network. A reasonable number of routing algorithms have been suggested for reducing the lethal impact of flooding the RREQ packets. However, most of the algorithms have resulted in considerable amount of complexity and deduce the throughput by depending on special hardware components and maintaining complex information which will be less frequently used. By considering routing complexity with the goal of increasing the throughput of the network, in this paper, we have introduced a new approach called Dynamic Probabilistic Route (DPR) discovery. The Node's Forwarding Probability (NFP) is dynamically calculated by the DPR mobile nodes using Probability Function (PF) which depends on density of local neighbor nodes and the cumulative number of its broadcast covered neighbors.

  12. A Dynamic Probabilistic Based Broadcasting Scheme for MANETs.

    PubMed

    Shanmugam, Kannan; Subburathinam, Karthik; Palanisamy, Arunachalam Velayuthampalayam

    2016-01-01

    MANET is commonly known as Mobile Ad Hoc Network in which cluster of mobile nodes can communicate with each other without having any basic infrastructure. The basic characteristic of MANET is dynamic topology. Due to the dynamic behavior nature, the topology of the network changes very frequently, and this will lead to the failure of the valid route repeatedly. Thus, the process of finding the valid route leads to notable drop in the throughput of the network. To identify a new valid path to the targeted mobile node, available proactive routing protocols use simple broadcasting method known as simple flooding. The simple flooding method broadcasts the RREQ packet from the source to the rest of the nodes in mobile network. But the problem with this method is disproportionate repetitive retransmission of RREQ packet which could result in high contention on the available channel and packet collision due to extreme traffic in the network. A reasonable number of routing algorithms have been suggested for reducing the lethal impact of flooding the RREQ packets. However, most of the algorithms have resulted in considerable amount of complexity and deduce the throughput by depending on special hardware components and maintaining complex information which will be less frequently used. By considering routing complexity with the goal of increasing the throughput of the network, in this paper, we have introduced a new approach called Dynamic Probabilistic Route (DPR) discovery. The Node's Forwarding Probability (NFP) is dynamically calculated by the DPR mobile nodes using Probability Function (PF) which depends on density of local neighbor nodes and the cumulative number of its broadcast covered neighbors. PMID:27019868

  13. Implicit - symplectic partitioned (IMSP) Runge-Kutta schemes for predator-prey dynamics

    NASA Astrophysics Data System (ADS)

    Diele, F.; Marangi, C.; Ragni, S.

    2012-09-01

    In the study of the effects of habitat fragmentation on biodiversity the role of spatial processes reveals of great interest since both the variation of size of the domains as well as their heterogeneity largely affects the dynamics of species. In order to begin a preliminary study about the effects of habitat fragmentation on wolf - wild boar pair populating the Italian "Alta Murgia" Natura 2000 site, object of interest for FP7 project BIOSOS, (BIOdiversity multi-SOurce Monitoring System: from Space TO Species), spatially explicit models described by reaction-diffusion partial differential equations are considered. Numerical methods based on partitioned Runge-Kutta schemes which use an implicit scheme for the stiff diffusive term and a partitioned symplectic scheme for the reaction function are here proposed. We are motivated by the classical results about Lotka-Volterra model described by ordinary differential equations to which the spatially explicit model reduces for diffusion coefficients tending to zero: for their accurate solution symplectic schemes have to be used for an optimal long run preservation of the dynamics invariant. Moreover, for models based on logistic growth and Holling type II functional predator response we verify the better performance of our schemes when compared with classical implicit-explicit (IMEX) schemes on chaotic dynamics given in literature.

  14. More realistic band gaps from meta-generalized gradient approximations: Only in a generalized Kohn-Sham scheme

    NASA Astrophysics Data System (ADS)

    Yang, Zeng-hui; Peng, Haowei; Sun, Jianwei; Perdew, John P.

    2016-05-01

    Unlike the local density approximation (LDA) and the generalized gradient approximation (GGA), calculations with meta-generalized gradient approximations (meta-GGA) are usually done according to the generalized Kohn-Sham (gKS) formalism. The exchange-correlation potential of the gKS equation is nonmultiplicative, which prevents systematic comparison of meta-GGA band structures to those of the LDA and the GGA. We implement the optimized effective potential (OEP) of the meta-GGA for periodic systems, which allows us to carry out meta-GGA calculations in the same KS manner as for the LDA and the GGA. We apply the OEP to several meta-GGAs, including the new SCAN functional [Phys. Rev. Lett. 115, 036402 (2015), 10.1103/PhysRevLett.115.036402]. We find that the KS gaps and KS band structures of meta-GGAs are close to those of GGAs. They are smaller than the more realistic gKS gaps of meta-GGAs, but probably close to the less-realistic gaps in the band structure of the exact KS potential, as can be seen by comparing with the gaps of the EXX+RPA OEP potential. The well-known grid sensitivity of meta-GGAs is much more severe in OEP calculations.

  15. The Relation between Approximation in Distribution and Shadowing in Molecular Dynamics

    NASA Astrophysics Data System (ADS)

    Tupper, Paul

    2009-01-01

    Molecular dynamics refers to the computer simulation of a material at the atomic level. An open problem in numerical analysis is to explain the apparent reliability of molecular dynamics simulations. The difficulty is that individual trajectories computed in molecular dynamics are accurate for only short time intervals, whereas apparently reliable information can be extracted from very long-time simulations. It has been conjectured that long molecular dynamics trajectories have low-dimensional statistical features that accurately approximate those of the original system. Another conjecture is that numerical trajectories satisfy the shadowing property: they are close over long time intervals to exact trajectories but with different initial conditions. We prove that these two views are actually equivalent to each other, after we suitably modify the concept of shadowing. A key ingredient of our result is a general theorem that allows us to take random elements of a metric space that are close in distribution and embed them in the same probability space so that they are close in a strong sense. This result is similar to the Strassen-Dudley theorem except that a mapping is provided between the two random elements. Our results on shadowing are motivated by molecular dynamics but apply to the approximation of any dynamical system when initial conditions are selected according to a probability measure.

  16. Application of TVD schemes for the Euler equations of gas dynamics. [method of Total Variation Diminishing for shock wave computation

    NASA Technical Reports Server (NTRS)

    Yee, H. C.; Warming, R. F.; Harten, A.

    1985-01-01

    Highly accurate and yet stable shock-capturing finite difference schemes have been designed for the computation of the Euler equations of gas dynamics. Four different principles for the construction of high resolution total variation diminishing (TVD) schemes are available, including hybrid schemes, a second-order extension of Godunov's scheme by van Leer (1979), the modified flux approach of Harten (1983, 1984), and the numerical fluctuation approach of Roe (1985). The present paper has the objective to review the class of second-order TVD schemes via the modified flux approach. Attention is given to first-order TVD schemes, a second-order accurate explicit TVD scheme, the global order of accuracy of the second-order TVD scheme, extensions to systems and two-dimensional conservation laws, numerical experiments with a second-order explicit TVD scheme, implicit TVD schemes, and second-order implicit TVD schemes.

  17. Survey of Branch Support Methods Demonstrates Accuracy, Power, and Robustness of Fast Likelihood-based Approximation Schemes

    PubMed Central

    Anisimova, Maria; Gil, Manuel; Dufayard, Jean-François; Dessimoz, Christophe; Gascuel, Olivier

    2011-01-01

    Phylogenetic inference and evaluating support for inferred relationships is at the core of many studies testing evolutionary hypotheses. Despite the popularity of nonparametric bootstrap frequencies and Bayesian posterior probabilities, the interpretation of these measures of tree branch support remains a source of discussion. Furthermore, both methods are computationally expensive and become prohibitive for large data sets. Recent fast approximate likelihood-based measures of branch supports (approximate likelihood ratio test [aLRT] and Shimodaira–Hasegawa [SH]-aLRT) provide a compelling alternative to these slower conventional methods, offering not only speed advantages but also excellent levels of accuracy and power. Here we propose an additional method: a Bayesian-like transformation of aLRT (aBayes). Considering both probabilistic and frequentist frameworks, we compare the performance of the three fast likelihood-based methods with the standard bootstrap (SBS), the Bayesian approach, and the recently introduced rapid bootstrap. Our simulations and real data analyses show that with moderate model violations, all tests are sufficiently accurate, but aLRT and aBayes offer the highest statistical power and are very fast. With severe model violations aLRT, aBayes and Bayesian posteriors can produce elevated false-positive rates. With data sets for which such violation can be detected, we recommend using SH-aLRT, the nonparametric version of aLRT based on a procedure similar to the Shimodaira–Hasegawa tree selection. In general, the SBS seems to be excessively conservative and is much slower than our approximate likelihood-based methods. PMID:21540409

  18. Approximate but accurate quantum dynamics from the Mori formalism: I. Nonequilibrium dynamics.

    PubMed

    Montoya-Castillo, Andrés; Reichman, David R

    2016-05-14

    We present a formalism that explicitly unifies the commonly used Nakajima-Zwanzig approach for reduced density matrix dynamics with the more versatile Mori theory in the context of nonequilibrium dynamics. Employing a Dyson-type expansion to circumvent the difficulty of projected dynamics, we obtain a self-consistent equation for the memory kernel which requires only knowledge of normally evolved auxiliary kernels. To illustrate the properties of the current approach, we focus on the spin-boson model and limit our attention to the use of a simple and inexpensive quasi-classical dynamics, given by the Ehrenfest method, for the calculation of the auxiliary kernels. For the first time, we provide a detailed analysis of the dependence of the properties of the memory kernels obtained via different projection operators, namely, the thermal (Redfield-type) and population based (NIBA-type) projection operators. We further elucidate the conditions that lead to short-lived memory kernels and the regions of parameter space to which this program is best suited. Via a thorough analysis of the different closures available for the auxiliary kernels and the convergence properties of the self-consistently extracted memory kernel, we identify the mechanisms whereby the current approach leads to a significant improvement over the direct usage of standard semi- and quasi-classical dynamics. PMID:27179468

  19. Approximate but accurate quantum dynamics from the Mori formalism: I. Nonequilibrium dynamics

    NASA Astrophysics Data System (ADS)

    Montoya-Castillo, Andrés; Reichman, David R.

    2016-05-01

    We present a formalism that explicitly unifies the commonly used Nakajima-Zwanzig approach for reduced density matrix dynamics with the more versatile Mori theory in the context of nonequilibrium dynamics. Employing a Dyson-type expansion to circumvent the difficulty of projected dynamics, we obtain a self-consistent equation for the memory kernel which requires only knowledge of normally evolved auxiliary kernels. To illustrate the properties of the current approach, we focus on the spin-boson model and limit our attention to the use of a simple and inexpensive quasi-classical dynamics, given by the Ehrenfest method, for the calculation of the auxiliary kernels. For the first time, we provide a detailed analysis of the dependence of the properties of the memory kernels obtained via different projection operators, namely, the thermal (Redfield-type) and population based (NIBA-type) projection operators. We further elucidate the conditions that lead to short-lived memory kernels and the regions of parameter space to which this program is best suited. Via a thorough analysis of the different closures available for the auxiliary kernels and the convergence properties of the self-consistently extracted memory kernel, we identify the mechanisms whereby the current approach leads to a significant improvement over the direct usage of standard semi- and quasi-classical dynamics.

  20. Transport dynamics in quantum lattice models and the discrete truncated Wigner approximation

    NASA Astrophysics Data System (ADS)

    Schachenmayer, Johannes; Pupillo, Guido; Tignone, Edoardo; Genes, Claudiu; Pikovski, Alexander; Rey, Ana Maria

    2015-05-01

    Transport of physical quantities such as energy, charge, or information plays a crucial role in a vast variety of scientific fields ranging from materials science/solid-state physics, to photonics/quantum information, to biological systems. The robustness of quantum coherences in the presence of de-coherent sources, and how those affect transport efficiency are important open questions. Addressing them can not only impact our fundamental understanding of quantum science but at the same time can lead to important technological applications. Here, we present a scheme of how to dramatically enhance the energy transport efficiency of a material by coupling it to a cavity mode, an idea with profound implications for organic semi-conductor materials. In addition we report on progress of how to numerically tackle the problem of quantum transport dynamics with a newly developed method, the dTWA, which allows to simulate quantum-dynamics even in large systems and high dimensions.

  1. A Harmonic-Free All Digital Delay-Locked Loop Using an Improved Fast-Locking Successive Approximation Register-Controlled Scheme

    NASA Astrophysics Data System (ADS)

    Huang, Kai; Cai, Zhikuang; Chen, Xin; Shi, Longxing

    This paper proposes a novel delay-locked loop (DLL) with fast-locking property. The improved fast-locking successive approximation register-controlled (IFSAR) scheme can decrease the locking time to n+4 periods and be harmonic-free, where n is the bits' number of the control code for a delay line. According to the simulation result in 180nm CMOS technology, the DLL can cover the operating range from 70MHz to 500MHz and dissipate 10.44mW at 500MHz.

  2. Study of multiband disordered systems using the typical medium dynamical cluster approximation

    DOE PAGES

    Zhang, Yi; Terletska, Hanna; Moore, C.; Ekuma, Chinedu; Tam, Ka-Ming; Berlijn, Tom; Ku, Wei; Moreno, Juana; Jarrell, Mark

    2015-11-06

    We generalize the typical medium dynamical cluster approximation to multiband disordered systems. Using our extended formalism, we perform a systematic study of the nonlocal correlation effects induced by disorder on the density of states and the mobility edge of the three-dimensional two-band Anderson model. We include interband and intraband hopping and an intraband disorder potential. Our results are consistent with those obtained by the transfer matrix and the kernel polynomial methods. We also apply the method to KxFe2-ySe2 with Fe vacancies. Despite the strong vacancy disorder and anisotropy, we find the material is not an Anderson insulator. Moreover our resultsmore » demonstrate the application of the typical medium dynamical cluster approximation method to study Anderson localization in real materials.« less

  3. Study of multiband disordered systems using the typical medium dynamical cluster approximation

    SciTech Connect

    Zhang, Yi; Terletska, Hanna; Moore, C.; Ekuma, Chinedu; Tam, Ka-Ming; Berlijn, Tom; Ku, Wei; Moreno, Juana; Jarrell, Mark

    2015-11-06

    We generalize the typical medium dynamical cluster approximation to multiband disordered systems. Using our extended formalism, we perform a systematic study of the nonlocal correlation effects induced by disorder on the density of states and the mobility edge of the three-dimensional two-band Anderson model. We include interband and intraband hopping and an intraband disorder potential. Our results are consistent with those obtained by the transfer matrix and the kernel polynomial methods. We also apply the method to KxFe2-ySe2 with Fe vacancies. Despite the strong vacancy disorder and anisotropy, we find the material is not an Anderson insulator. Moreover our results demonstrate the application of the typical medium dynamical cluster approximation method to study Anderson localization in real materials.

  4. Dynamic load balance scheme for the DSMC algorithm

    NASA Astrophysics Data System (ADS)

    Li, Jin; Geng, Xiangren; Jiang, Dingwu; Chen, Jianqiang

    2014-12-01

    The direct simulation Monte Carlo (DSMC) algorithm, devised by Bird, has been used over a wide range of various rarified flow problems in the past 40 years. While the DSMC is suitable for the parallel implementation on powerful multi-processor architecture, it also introduces a large load imbalance across the processor array, even for small examples. The load imposed on a processor by a DSMC calculation is determined to a large extent by the total of simulator particles upon it. Since most flows are impulsively started with initial distribution of particles which is surely quite different from the steady state, the total of simulator particles will change dramatically. The load balance based upon an initial distribution of particles will break down as the steady state of flow is reached. The load imbalance and huge computational cost of DSMC has limited its application to rarefied or simple transitional flows. In this paper, by taking advantage of METIS, a software for partitioning unstructured graphs, and taking the total of simulator particles in each cell as a weight information, the repartitioning based upon the principle that each processor handles approximately the equal total of simulator particles has been achieved. The computation must pause several times to renew the total of simulator particles in each processor and repartition the whole domain again. Thus the load balance across the processors array holds in the duration of computation. The parallel efficiency can be improved effectively. The benchmark solution of a cylinder submerged in hypersonic flow has been simulated numerically. Besides, hypersonic flow past around a complex wing-body configuration has also been simulated. The results have displayed that, for both of cases, the computational time can be reduced by about 50%.

  5. Dynamic load balance scheme for the DSMC algorithm

    SciTech Connect

    Li, Jin; Geng, Xiangren; Jiang, Dingwu; Chen, Jianqiang

    2014-12-09

    The direct simulation Monte Carlo (DSMC) algorithm, devised by Bird, has been used over a wide range of various rarified flow problems in the past 40 years. While the DSMC is suitable for the parallel implementation on powerful multi-processor architecture, it also introduces a large load imbalance across the processor array, even for small examples. The load imposed on a processor by a DSMC calculation is determined to a large extent by the total of simulator particles upon it. Since most flows are impulsively started with initial distribution of particles which is surely quite different from the steady state, the total of simulator particles will change dramatically. The load balance based upon an initial distribution of particles will break down as the steady state of flow is reached. The load imbalance and huge computational cost of DSMC has limited its application to rarefied or simple transitional flows. In this paper, by taking advantage of METIS, a software for partitioning unstructured graphs, and taking the total of simulator particles in each cell as a weight information, the repartitioning based upon the principle that each processor handles approximately the equal total of simulator particles has been achieved. The computation must pause several times to renew the total of simulator particles in each processor and repartition the whole domain again. Thus the load balance across the processors array holds in the duration of computation. The parallel efficiency can be improved effectively. The benchmark solution of a cylinder submerged in hypersonic flow has been simulated numerically. Besides, hypersonic flow past around a complex wing-body configuration has also been simulated. The results have displayed that, for both of cases, the computational time can be reduced by about 50%.

  6. On the security of a dynamic ID-based authentication scheme for telecare medical information systems.

    PubMed

    Lin, Han-Yu

    2013-04-01

    Telecare medical information systems (TMISs) are increasingly popular technologies for healthcare applications. Using TMISs, physicians and caregivers can monitor the vital signs of patients remotely. Since the database of TMISs stores patients' electronic medical records (EMRs), only authorized users should be granted the access to this information for the privacy concern. To keep the user anonymity, recently, Chen et al. proposed a dynamic ID-based authentication scheme for telecare medical information system. They claimed that their scheme is more secure and robust for use in a TMIS. However, we will demonstrate that their scheme fails to satisfy the user anonymity due to the dictionary attacks. It is also possible to derive a user password in case of smart card loss attacks. Additionally, an improved scheme eliminating these weaknesses is also presented.

  7. On the security of a dynamic ID-based authentication scheme for telecare medical information systems.

    PubMed

    Lin, Han-Yu

    2013-04-01

    Telecare medical information systems (TMISs) are increasingly popular technologies for healthcare applications. Using TMISs, physicians and caregivers can monitor the vital signs of patients remotely. Since the database of TMISs stores patients' electronic medical records (EMRs), only authorized users should be granted the access to this information for the privacy concern. To keep the user anonymity, recently, Chen et al. proposed a dynamic ID-based authentication scheme for telecare medical information system. They claimed that their scheme is more secure and robust for use in a TMIS. However, we will demonstrate that their scheme fails to satisfy the user anonymity due to the dictionary attacks. It is also possible to derive a user password in case of smart card loss attacks. Additionally, an improved scheme eliminating these weaknesses is also presented. PMID:23345092

  8. Action versus result-oriented schemes in a grassland agroecosystem: a dynamic modelling approach.

    PubMed

    Sabatier, Rodolphe; Doyen, Luc; Tichit, Muriel

    2012-01-01

    Effects of agri-environment schemes (AES) on biodiversity remain controversial. While most AES are action-oriented, result-oriented and habitat-oriented schemes have recently been proposed as a solution to improve AES efficiency. The objective of this study was to compare action-oriented, habitat-oriented and result-oriented schemes in terms of ecological and productive performance as well as in terms of management flexibility. We developed a dynamic modelling approach based on the viable control framework to carry out a long term assessment of the three schemes in a grassland agroecosystem. The model explicitly links grazed grassland dynamics to bird population dynamics. It is applied to lapwing conservation in wet grasslands in France. We ran the model to assess the three AES scenarios. The model revealed the grazing strategies respecting ecological and productive constraints specific to each scheme. Grazing strategies were assessed by both their ecological and productive performance. The viable control approach made it possible to obtain the whole set of viable grazing strategies and therefore to quantify the management flexibility of the grassland agroecosystem. Our results showed that habitat and result-oriented scenarios led to much higher ecological performance than the action-oriented one. Differences in both ecological and productive performance between the habitat and result-oriented scenarios were limited. Flexibility of the grassland agroecosystem in the result-oriented scenario was much higher than in that of habitat-oriented scenario. Our model confirms the higher flexibility as well as the better ecological and productive performance of result-oriented schemes. A larger use of result-oriented schemes in conservation may also allow farmers to adapt their management to local conditions and to climatic variations.

  9. Discrete dipole approximation for black carbon-containing aerosols in arbitrary mixing state: A hybrid discretization scheme

    NASA Astrophysics Data System (ADS)

    Moteki, Nobuhiro

    2016-07-01

    An accurate and efficient simulation of light scattering by an atmospheric black carbon (BC)-containing aerosol-a fractal-like cluster of hundreds of carbon monomers that is internally mixed with other aerosol compounds such as sulfates, organics, and water-remains challenging owing to the enormous diversities of such aerosols' size, shape, and mixing state. Although the discrete dipole approximation (DDA) is theoretically an exact numerical method that is applicable to arbitrary non-spherical inhomogeneous targets, in practice, it suffers from severe granularity-induced error and degradation of computational efficiency for such extremely complex targets. To solve this drawback, we propose herein a hybrid DDA method designed for arbitrary BC-containing aerosols: the monomer-dipole assumption is applied to a cluster of carbon monomers, whereas the efficient cubic-lattice discretization is applied to the remaining particle volume consisting of other materials. The hybrid DDA is free from the error induced by the surface granularity of carbon monomers that occurs in conventional cubic-lattice DDA. In the hybrid DDA, we successfully mitigate the artifact of neglecting the higher-order multipoles in the monomer-dipole assumption by incorporating the magnetic dipole in addition to the electric dipole into our DDA formulations. Our numerical experiments show that the hybrid DDA method is an efficient light-scattering solver for BC-containing aerosols in arbitrary mixing states. The hybrid DDA could be also useful for a cluster of metallic nanospheres associated with other dielectric materials.

  10. Dynamic load identification for stochastic structures based on Gegenbauer polynomial approximation and regularization method

    NASA Astrophysics Data System (ADS)

    Liu, Jie; Sun, Xingsheng; Han, Xu; Jiang, Chao; Yu, Dejie

    2015-05-01

    Based on the Gegenbauer polynomial expansion theory and regularization method, an analytical method is proposed to identify dynamic loads acting on stochastic structures. Dynamic loads are expressed as functions of time and random parameters in time domain and the forward model of dynamic load identification is established through the discretized convolution integral of loads and the corresponding unit-pulse response functions of system. Random parameters are approximated through the random variables with λ-probability density function (PDFs) or their derivative PDFs. For this kind of random variables, Gegenbauer polynomial expansion is the unique correct choice to transform the problem of load identification for a stochastic structure into its equivalent deterministic system. Just via its equivalent deterministic system, the load identification problem of a stochastic structure can be solved by any available deterministic methods. With measured responses containing noise, the improved regularization operator is adopted to overcome the ill-posedness of load reconstruction and to obtain the stable and approximate solutions of certain inverse problems and the valid assessments of the statistics of identified loads. Numerical simulations demonstrate that with regard to stochastic structures, the identification and assessment of dynamic loads are achieved steadily and effectively by the presented method.

  11. Adaptive control schemes for improving dynamic performance of efficiency-optimized induction motor drives.

    PubMed

    Kumar, Navneet; Raj Chelliah, Thanga; Srivastava, S P

    2015-07-01

    Model Based Control (MBC) is one of the energy optimal controllers used in vector-controlled Induction Motor (IM) for controlling the excitation of motor in accordance with torque and speed. MBC offers energy conservation especially at part-load operation, but it creates ripples in torque and speed during load transition, leading to poor dynamic performance of the drive. This study investigates the opportunity for improving dynamic performance of a three-phase IM operating with MBC and proposes three control schemes: (i) MBC with a low pass filter (ii) torque producing current (iqs) injection in the output of speed controller (iii) Variable Structure Speed Controller (VSSC). The pre and post operation of MBC during load transition is also analyzed. The dynamic performance of a 1-hp, three-phase squirrel-cage IM with mine-hoist load diagram is tested. Test results are provided for the conventional field-oriented (constant flux) control and MBC (adjustable excitation) with proposed schemes. The effectiveness of proposed schemes is also illustrated for parametric variations. The test results and subsequent analysis confer that the motor dynamics improves significantly with all three proposed schemes in terms of overshoot/undershoot peak amplitude of torque and DC link power in addition to energy saving during load transitions. PMID:25820090

  12. Acceleration of the chemistry solver for modeling DI engine combustion using dynamic adaptive chemistry (DAC) schemes

    NASA Astrophysics Data System (ADS)

    Shi, Yu; Liang, Long; Ge, Hai-Wen; Reitz, Rolf D.

    2010-03-01

    Acceleration of the chemistry solver for engine combustion is of much interest due to the fact that in practical engine simulations extensive computational time is spent solving the fuel oxidation and emission formation chemistry. A dynamic adaptive chemistry (DAC) scheme based on a directed relation graph error propagation (DRGEP) method has been applied to study homogeneous charge compression ignition (HCCI) engine combustion with detailed chemistry (over 500 species) previously using an R-value-based breadth-first search (RBFS) algorithm, which significantly reduced computational times (by as much as 30-fold). The present paper extends the use of this on-the-fly kinetic mechanism reduction scheme to model combustion in direct-injection (DI) engines. It was found that the DAC scheme becomes less efficient when applied to DI engine simulations using a kinetic mechanism of relatively small size and the accuracy of the original DAC scheme decreases for conventional non-premixed combustion engine. The present study also focuses on determination of search-initiating species, involvement of the NOx chemistry, selection of a proper error tolerance, as well as treatment of the interaction of chemical heat release and the fuel spray. Both the DAC schemes were integrated into the ERC KIVA-3v2 code, and simulations were conducted to compare the two schemes. In general, the present DAC scheme has better efficiency and similar accuracy compared to the previous DAC scheme. The efficiency depends on the size of the chemical kinetics mechanism used and the engine operating conditions. For cases using a small n-heptane kinetic mechanism of 34 species, 30% of the computational time is saved, and 50% for a larger n-heptane kinetic mechanism of 61 species. The paper also demonstrates that by combining the present DAC scheme with an adaptive multi-grid chemistry (AMC) solver, it is feasible to simulate a direct-injection engine using a detailed n-heptane mechanism with 543 species

  13. Binary-State Dynamics on Complex Networks: Pair Approximation and Beyond

    NASA Astrophysics Data System (ADS)

    Gleeson, James P.

    2013-04-01

    A wide class of binary-state dynamics on networks—including, for example, the voter model, the Bass diffusion model, and threshold models—can be described in terms of transition rates (spin-flip probabilities) that depend on the number of nearest neighbors in each of the two possible states. High-accuracy approximations for the emergent dynamics of such models on uncorrelated, infinite networks are given by recently developed compartmental models or approximate master equations (AMEs). Pair approximations (PAs) and mean-field theories can be systematically derived from the AME. We show that PA and AME solutions can coincide under certain circumstances, and numerical simulations confirm that PA is highly accurate in these cases. For monotone dynamics (where transitions out of one nodal state are impossible, e.g., susceptible-infected disease spread or Bass diffusion), PA and the AME give identical results for the fraction of nodes in the infected (active) state for all time, provided that the rate of infection depends linearly on the number of infected neighbors. In the more general nonmonotone case, we derive a condition—that proves to be equivalent to a detailed balance condition on the dynamics—for PA and AME solutions to coincide in the limit t→∞. This equivalence permits bifurcation analysis, yielding explicit expressions for the critical (ferromagnetic or paramagnetic transition) point of such dynamics, that is closely analogous to the critical temperature of the Ising spin model. Finally, the AME for threshold models of propagation is shown to reduce to just two differential equations and to give excellent agreement with numerical simulations. As part of this work, the Octave or Matlab code for implementing and solving the differential-equation systems is made available for download.

  14. Discrete-time nonlinear HJB solution using approximate dynamic programming: convergence proof.

    PubMed

    Al-Tamimi, Asma; Lewis, Frank L; Abu-Khalaf, Murad

    2008-08-01

    Convergence of the value-iteration-based heuristic dynamic programming (HDP) algorithm is proven in the case of general nonlinear systems. That is, it is shown that HDP converges to the optimal control and the optimal value function that solves the Hamilton-Jacobi-Bellman equation appearing in infinite-horizon discrete-time (DT) nonlinear optimal control. It is assumed that, at each iteration, the value and action update equations can be exactly solved. The following two standard neural networks (NN) are used: a critic NN is used to approximate the value function, whereas an action network is used to approximate the optimal control policy. It is stressed that this approach allows the implementation of HDP without knowing the internal dynamics of the system. The exact solution assumption holds for some classes of nonlinear systems and, specifically, in the specific case of the DT linear quadratic regulator (LQR), where the action is linear and the value quadratic in the states and NNs have zero approximation error. It is stressed that, for the LQR, HDP may be implemented without knowing the system A matrix by using two NNs. This fact is not generally appreciated in the folklore of HDP for the DT LQR, where only one critic NN is generally used. PMID:18632382

  15. Image communication scheme based on dynamic visual cryptography and computer generated holography

    NASA Astrophysics Data System (ADS)

    Palevicius, Paulius; Ragulskis, Minvydas

    2015-01-01

    Computer generated holograms are often exploited to implement optical encryption schemes. This paper proposes the integration of dynamic visual cryptography (an optical technique based on the interplay of visual cryptography and time-averaging geometric moiré) with Gerchberg-Saxton algorithm. A stochastic moiré grating is used to embed the secret into a single cover image. The secret can be visually decoded by a naked eye if only the amplitude of harmonic oscillations corresponds to an accurately preselected value. The proposed visual image encryption scheme is based on computer generated holography, optical time-averaging moiré and principles of dynamic visual cryptography. Dynamic visual cryptography is used both for the initial encryption of the secret image and for the final decryption. Phase data of the encrypted image are computed by using Gerchberg-Saxton algorithm. The optical image is decrypted using the computationally reconstructed field of amplitudes.

  16. Cosmological dynamics: from the Eulerian to the Lagrangian frame. Part I. Newtonian approximation

    SciTech Connect

    Villa, Eleonora; Maino, Davide; Matarrese, Sabino E-mail: sabino.matarrese@pd.infn.it

    2014-06-01

    We analyse the non-linear gravitational dynamics of a pressure-less fluid in the Newtonian limit of General Relativity in both the Eulerian and Lagrangian pictures. Starting from the Newtonian metric in the Poisson gauge, we transform to the synchronous and comoving gauge and obtain the Lagrangian metric within the Newtonian approximation. Our approach is fully non-perturbative, which implies that if our quantities are expanded according to the rules of standard perturbation theory, all terms are exactly recovered at any order in perturbation theory, only provided they are Newtonian. We explicitly show this result up to second order and in both gauges. Our transformation clarifies the meaning of the change of spatial and time coordinates from the Eulerian to the Lagrangian frame in the Newtonian approximation.

  17. Single-random-valley approximation in vibration-transit theory of liquid dynamics

    SciTech Connect

    De Lorenzi-Venneri, Giulia; Wallace, Duane C.

    2007-10-15

    The first goal of vibration-transit theory is to be able to calculate from a tractable partition function and without adjustable parameters the thermodynamic properties of the elemental monatomic liquids. The key hypothesis is that the random class of potential energy valleys dominates the statistical mechanics of the liquid at temperatures above melting T > or approx. T{sub m} and that these valleys are macroscopically uniform in the thermodynamic limit. This allows us to use a single random valley to calculate the vibrational contribution to liquid properties, exactly in the thermodynamic limit, and as an approximation at finite number of particles N. This approximation is tested here for liquid Na with a physically realistic potential based on electronic structure theory. Steepest descent quenches were made from the molecular dynamics equilibrium liquid (N=500) at temperatures from 0.90T{sub m} to 3.31T{sub m}, and six potential parameters were calculated for each structure, namely, the potential energy and five principal moments of the vibrational frequency distribution. The results show temperature-independent means and small standard deviations for all potential parameters, consistent with random valley uniformity at N{yields}{infinity}, and with finite-N broadening at N=500. The expected error in the single random valley approximation for Na at N=500 and T(greater-or-similar sign)T{sub m} is 0.1% for the entropy and 0.5% for the internal energy, negligible in the current development of liquid dynamics theory. In related quench studies of recent years, the common finding of nearly temperature-independent means of structural potential energy properties at T > or approx. T{sub m} suggests that the single random valley approximation might also apply to systems more complicated than the elemental liquids.

  18. Approximating a Giving Up Smoking Dynamic on Adolescent Nicotine Dependence in Fractional Order

    PubMed Central

    2016-01-01

    In this work, we consider giving up smoking dynamic on adolescent nicotine dependence. First, we use the Caputo derivative to develop the model in fractional order. Then we apply two different numerical methods to compute accurate approximate solutions of this new model in fractional order and compare their results. In order to do this, we consider the generalized Euler method (GEM) and multi-step generalized differential transform method (MSGDTM). We also show the unique positive solution for this model and present numerical results graphically. PMID:27105426

  19. Comparison of binary collision approximation and molecular dynamics for displacement cascades in GaAs.

    SciTech Connect

    Foiles, Stephen Martin

    2011-10-01

    The predictions of binary collision approximation (BCA) and molecular dynamics (MD) simulations of displacement cascades in GaAs are compared. There are three issues addressed in this work. The first is the optimal choice of the effective displacement threshold to use in the BCA calculations to obtain the best agreement with MD results. Second, the spatial correlations of point defects are compared. This is related to the level of clustering that occurs for different types of radiation. Finally, the size and structure of amorphous zones seen in the MD simulations is summarized. BCA simulations are not able to predict the formation of amorphous material.

  20. Approximating a Giving Up Smoking Dynamic on Adolescent Nicotine Dependence in Fractional Order.

    PubMed

    Zeb, Anwar; Zaman, Gul; Erturk, Vedat Suat; Alzalg, Baha; Yousafzai, Faisal; Khan, Madad

    2016-01-01

    In this work, we consider giving up smoking dynamic on adolescent nicotine dependence. First, we use the Caputo derivative to develop the model in fractional order. Then we apply two different numerical methods to compute accurate approximate solutions of this new model in fractional order and compare their results. In order to do this, we consider the generalized Euler method (GEM) and multi-step generalized differential transform method (MSGDTM). We also show the unique positive solution for this model and present numerical results graphically. PMID:27105426

  1. Quantum dynamics of water dissociative chemisorption on rigid Ni(111): An approximate nine-dimensional treatment.

    PubMed

    Jiang, Bin; Song, Hongwei; Yang, Minghui; Guo, Hua

    2016-04-28

    The quantum dynamics of water dissociative chemisorption on the rigid Ni(111) surface is investigated using a recently developed nine-dimensional potential energy surface. The quantum dynamical model includes explicitly seven degrees of freedom of D2O at fixed surface sites, and the final results were obtained with a site-averaging model. The mode specificity in the site-specific results is reported and analyzed. Finally, the approximate sticking probabilities for various vibrationally excited states of D2O are obtained considering surface lattice effects and formally all nine degrees of freedom. The comparison with experiment reveals the inaccuracy of the density functional theory and suggests the need to improve the potential energy surface. PMID:27131562

  2. High-order kinetic flux vector splitting schemes in general coordinates for ideal quantum gas dynamics

    SciTech Connect

    Yang, J.-Y. Hsieh, T.-Y.; Shi, Y.-H.; Xu Kun

    2007-12-10

    A class of high-order kinetic flux vector splitting schemes are presented for solving ideal quantum gas dynamics based on quantum statistical mechanics. The collisionless quantum Boltzmann equation approach is adopted and both Bose-Einstein and Fermi-Dirac gases are considered. The formulas for the split flux vectors are derived based on the general three-dimensional distribution function in velocity space and formulas for lower dimensions can be directly deduced. General curvilinear coordinates are introduced to treat practical problems with general geometry. High-order accurate schemes using weighted essentially non-oscillatory methods are implemented. The resulting high resolution kinetic flux splitting schemes are tested for 1D shock tube flows and shock wave diffraction by a 2D wedge and by a circular cylinder in ideal quantum gases. Excellent results have been obtained for all examples computed.

  3. Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions.

    PubMed

    Van Raemdonck, Mario; Alcoba, Diego R; Poelmans, Ward; De Baerdemacker, Stijn; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo E; Van Neck, Dimitri; Bultinck, Patrick

    2015-09-14

    A class of polynomial scaling methods that approximate Doubly Occupied Configuration Interaction (DOCI) wave functions and improve the description of dynamic correlation is introduced. The accuracy of the resulting wave functions is analysed by comparing energies and studying the overlap between the newly developed methods and full configuration interaction wave functions, showing that a low energy does not necessarily entail a good approximation of the exact wave function. Due to the dependence of DOCI wave functions on the single-particle basis chosen, several orbital optimisation algorithms are introduced. An energy-based algorithm using the simulated annealing method is used as a benchmark. As a computationally more affordable alternative, a seniority number minimising algorithm is developed and compared to the energy based one revealing that the seniority minimising orbital set performs well. Given a well-chosen orbital basis, it is shown that the newly developed DOCI based wave functions are especially suitable for the computationally efficient description of static correlation and to lesser extent dynamic correlation.

  4. CaMKII activation and dynamics are independent of holoenzyme structure: an infinite subunit holoenzyme approximation

    PubMed Central

    Michalski, P J; Loew, L M

    2012-01-01

    The combinatorial explosion produced by the multi-state, multi-subunit character of CaMKII has made analysis and modeling of this key signaling protein a significant challenge. Using rule-based and particle-based approaches, we construct exact models of CaMKII holoenzyme dynamics and study these models as a function of the number of subunits per holoenzyme, N. Without phosphatases the dynamics of activation are independent of holoenzyme structure unless phosphorylation significantly alters the kinase activity of a subunit. With phosphatases the model is independent of holoenzyme size for N > 6. We introduce an infinite subunit holoenzyme approximation (ISHA), which simplifies the modeling by eliminating the combinatorial complexities encountered in any finite holoenzyme model. The ISHA is an excellent approximation to the full system over a broad range of physiologically relevant parameters. Finally, we demonstrate that the ISHA reproduces the behavior of exact models during synaptic plasticity protocols, which justifies its use as a module in large models of synaptic plasticity. PMID:22683827

  5. Dynamical cluster approximation within an augmented plane wave framework: Spectral properties of SrVO3

    NASA Astrophysics Data System (ADS)

    Lee, Hunpyo; Foyevtsova, Kateryna; Ferber, Johannes; Aichhorn, Markus; Jeschke, Harald O.; Valentí, Roser

    2012-04-01

    We present a combination of local-density approximation (LDA) with the dynamical cluster approximation (LDA+DCA) in the framework of the full-potential linear augmented plane wave method, and compare our LDA+DCA results for SrVO3 to LDA with the dynamical mean-field theory (LDA+DMFT) calculations as well as experimental observations on SrVO3. We find a qualitative agreement of the momentum resolved spectral function with angle-resolved photoemission spectra (ARPES) and former LDA+DMFT results. As a correction to LDA+DMFT, we observe more pronounced coherent peaks below the Fermi level, as indicated by ARPES experiments. In addition, we resolve the spectral functions in the K0=(0,0,0) and K1=(π,π,π) sectors of DCA, where band insulating and metallic phases coexist. Our approach can be applied to correlated compounds where not only local quantum fluctuations but also spatial fluctuations are important.

  6. Finite-approximation-error-based discrete-time iterative adaptive dynamic programming.

    PubMed

    Wei, Qinglai; Wang, Fei-Yue; Liu, Derong; Yang, Xiong

    2014-12-01

    In this paper, a new iterative adaptive dynamic programming (ADP) algorithm is developed to solve optimal control problems for infinite horizon discrete-time nonlinear systems with finite approximation errors. First, a new generalized value iteration algorithm of ADP is developed to make the iterative performance index function converge to the solution of the Hamilton-Jacobi-Bellman equation. The generalized value iteration algorithm permits an arbitrary positive semi-definite function to initialize it, which overcomes the disadvantage of traditional value iteration algorithms. When the iterative control law and iterative performance index function in each iteration cannot accurately be obtained, for the first time a new "design method of the convergence criteria" for the finite-approximation-error-based generalized value iteration algorithm is established. A suitable approximation error can be designed adaptively to make the iterative performance index function converge to a finite neighborhood of the optimal performance index function. Neural networks are used to implement the iterative ADP algorithm. Finally, two simulation examples are given to illustrate the performance of the developed method. PMID:25265640

  7. DYNAMICAL SPIN SUSCEPTIBILITY IN THE TD-LDA AND QSGW APPROXIMATIONS

    SciTech Connect

    SCHILFGAARDE, MARK VAN; KOTANI, TAKAO

    2012-10-15

    Abstract. This project was aimed at building the transverse dynamical spin susceptibility with the TD-LDA and the recently-developed Quasparticle Self-Consisent Approximations, which determines an optimum quasiparticle picture in a self-consistent manner within the GW approximation. Our main results were published into two papers, (J. Phys. Cond. Matt. 20, 95214 (2008), and Phys. Rev. B83, 060404(R) (2011). In the first paper we present spin wave dispersions for MnO, NiO, and -MnAs based on quasiparticle self-consistent GW approximation (QSGW). For MnO and NiO, QSGW results are in rather good agreement with experiments, in contrast to the LDA and LDA+U descriptions. For -MnAs, we find a collinear ferromagnetic ground state in QSGW, while this phase is unstable in the LDA. In the second, we apply TD-LDA to the CaFeAs2 the first attempt the first ab initio calculation of dynamical susceptibililty in a system with complex electronic structure Magnetic excitations in the striped phase of CaFe2As2 are studied as a function of local moment amplitude. We find a new kind of excitation: sharp resonances of Stoner-like (itinerant) excitations at energies comparable to the ´eel temperature, originating largely from a narrow band of Fe d states near the Fermi level, and coexisting with more conventional (localized) spin waves. Both kinds of excitations can show multiple branches, highlighting the inadequacy of a description based on a localized spin model.

  8. Autonomous Path-Following by Approximate Inverse Dynamics and Vector Field Prediction

    NASA Astrophysics Data System (ADS)

    Gerlach, Adam R.

    In this dissertation, we develop two general frameworks for the navigation and control of autonomous vehicles that must follow predefined paths. These frameworks are designed such that they inherently provide accurate navigation and control of a wide class of systems directly from a model of the vehicle's dynamics. The first framework introduced is the inverse dynamics by radial basis function (IDRBF) algorithm, which exploits the best approximation property of radial basis functions to accurately approximate the inverse dynamics of non-linear systems. This approximation is then used with the known, desired state of the system at a future time point to generate the system input that must be applied to reach the desired state in the specified time interval. The IDRBF algorithm is then tested on two non-linear dynamic systems, and accurate path-following is demonstrated. The second framework introduced is the predictive vector field (PVF) algorithm. The PVF algorithm uses the equations of motion and constraints of the system to predict a set of reachable states by sampling the system's configuration space. By finding and minimizing a continuous mapping between the system's configuration space and a cost space relating the reachable states of the system with a vector field (VF), one can determine the system inputs required to follow the VF. The PVF algorithm is then tested on the Dubin's vehicle and aircraft models, and accurate path-following is demonstrated. As the PVF algorithm's performance is dependent on the quality of the underlying system model and VF, algorithms are introduced for automatically generating VFs for constant altitude paths defined by a series of waypoints and for handling modeling uncertainties. Additionally, we provide a mathematical proof showing that this method can automatically produce VFs of the desired form. To handle modeling uncertainties, we enhance the PVF algorithm with the Gaussian process machine learning framework, enabling the

  9. An effective fitting scheme for the dynamic structure of pure liquids.

    PubMed

    Wax, J-F; Bryk, Taras

    2013-08-14

    A scheme of analysis for the dynamic structure functions in pure liquids is presented which can be implemented with both experimental and simulation data. Expressions for contributions of relaxing and propagating modes proposed earlier in the framework of the generalized collective modes approach are optimized in order to strictly fulfil three among the required sum-rules. The method is applied to simulation data for liquid cesium, the description of which appears to only require one relaxing and one propagating mode in the investigated wavevector range. These expressions are able to account for the dynamics in both the hydrodynamic and the kinetic regimes, being quantitatively accurate up to the onset of the first peak of the static structure factor and qualitatively beyond. Features of the modes can thus be obtained easily, without resorting to heavy formalism. The scheme of analysis can be straightforwardly extended to account for a higher number of relaxing and propagating modes.

  10. Taylor-Lagrange renormalization scheme: Application to light-front dynamics

    SciTech Connect

    Grange, P.; Mutet, B.

    2009-11-15

    The recently proposed renormalization scheme based on the definition of field operators as operator valued distributions acting on specific test functions is shown to be very convenient in explicit calculations of physical observables within the framework of light-front dynamics. We first recall the main properties of this procedure based on identities relating the test functions to their Taylor remainder of any order expressed in terms of Lagrange's formulas, hence the name given to this scheme. We thus show how it naturally applies to the calculation of state vectors of physical systems in the covariant formulation of light-front dynamics. As an example, we consider the case of the Yukawa model in the simple two-body Fock state truncation.

  11. Impact of nonlocal correlations over different energy scales: A dynamical vertex approximation study

    NASA Astrophysics Data System (ADS)

    Rohringer, G.; Toschi, A.

    2016-09-01

    In this paper, we investigate how nonlocal correlations affect, selectively, the physics of correlated electrons over different energy scales, from the Fermi level to the band edges. This goal is achieved by applying a diagrammatic extension of dynamical mean field theory (DMFT), the dynamical vertex approximation (D Γ A ), to study several spectral and thermodynamic properties of the unfrustrated Hubbard model in two and three dimensions. Specifically, we focus first on the low-energy regime by computing the electronic scattering rate and the quasiparticle mass renormalization for decreasing temperatures at a fixed interaction strength. This way, we obtain a precise characterization of the several steps through which the Fermi-liquid physics is progressively destroyed by nonlocal correlations. Our study is then extended to a broader energy range, by analyzing the temperature behavior of the kinetic and potential energy, as well as of the corresponding energy distribution functions. Our findings allow us to identify a smooth but definite evolution of the nature of nonlocal correlations by increasing interaction: They either increase or decrease the kinetic energy w.r.t. DMFT depending on the interaction strength being weak or strong, respectively. This reflects the corresponding evolution of the ground state from a nesting-driven (Slater) to a superexchange-driven (Heisenberg) antiferromagnet (AF), whose fingerprints are, thus, recognizable in the spatial correlations of the paramagnetic phase. Finally, a critical analysis of our numerical results of the potential energy at the largest interaction allows us to identify possible procedures to improve the ladder-based algorithms adopted in the dynamical vertex approximation.

  12. Exact and approximate dynamics of the quantum mechanical O(N) model

    SciTech Connect

    Mihaila, Bogdan; Athan, Tara; Cooper, Fred; Dawson, John; Habib, Salman

    2000-12-15

    We study the dynamics of the quantum mechanical O(N) model as a specific example to investigate the systematics of a 1/N expansion. The closed time path formalism melded with an expansion in 1/N is used to derive time evolution equations valid to order 1/N (next-to-leading order). The effective potential is also obtained to this order and its properties are elucidated. In order to compare theoretical predictions against numerical solutions of the time-dependent Schro''dinger equation, we consider two initial conditions consistent with O(N) symmetry, one of them a quantum roll, the other a wave packet initially to one side of the potential minimum, whose center has all coordinates equal. For the case of the quantum roll we map out the domain of validity of the large-N expansion. We also discuss the existence of unitarity violation in this expansion, a well-known problem faced by moment truncation techniques. The 1/N results, both static and dynamic, are contrasted with those given by a Hartree variational ansatz at given values of N. A comparison against numerical results leads us to conclude that late-time dynamical behavior, where nonlinear effects are significant, is not well described by either approximation.

  13. A Superstabilizing log(n)-Approximation Algorithm for Dynamic Steiner Trees

    NASA Astrophysics Data System (ADS)

    Blin, Lélia; Potop-Butucaru, Maria Gradinariu; Rovedakis, Stephane

    This paper proposes a fully dynamic self-stabilizing algorithm for the Steiner tree problem. The Steiner tree problem aims at constructing a Minimum Spanning Tree (MST) over a subset of nodes called Steiner members, or Steiner group usually denoted S. Steiner trees are good candidates to efficiently implement communication primitives such as publish/subscribe or multicast, essential building blocks in the design of middleware architectures for the new emergent networks (e.g. P2P, sensor or adhoc networks). Our algorithm returns a log|S|-approximation of the optimal Steiner tree. It improves over existing solutions in several ways. First, it is fully dynamic, in other words it withstands the dynamism when both the group members and ordinary nodes can join or leave the network. Next, our algorithm is self-stabilizing, that is, it copes with nodes memory corruption. Last but not least, our algorithm is superstabilizing. That is, while converging to a correct configuration (i.e., a Steiner tree) after a modification of the network, it keeps offering the Steiner tree service during the stabilization time to all members that have not been affected by this modification.

  14. A New Image Encryption Scheme Based on Dynamic S-Boxes and Chaotic Maps

    NASA Astrophysics Data System (ADS)

    Rehman, Atique Ur; Khan, Jan Sher; Ahmad, Jawad; Hwang, Soeng Oun

    2016-03-01

    Substitution box is a unique and nonlinear core component of block ciphers. A better designing technique of substitution box can boost up the quality of ciphertexts. In this paper, a new encryption method based on dynamic substitution boxes is proposed via using two chaotic maps. To break the correlation in an original image, pixels values of the original plaintext image are permuted row- and column-wise through random sequences. The aforementioned random sequences are generated by 2-D Burgers chaotic map. For the generation of dynamic substitution boxes, Logistic chaotic map is employed. In the process of diffusion, the permuted image is divided into blocks and each block is substituted via different dynamic substitution boxes. In contrast to conventional encryption schemes, the proposed scheme does not undergo the fixed block cipher and hence the security level can be enhanced. Extensive security analysis including histogram test is applied on the proposed image encryption technique. All experimental results reveal that the proposed scheme has a high level of security and robustness for transmission of digital images on insecure communication channels.

  15. Optimal variable flip angle schemes for dynamic acquisition of exchanging hyperpolarized substrates

    NASA Astrophysics Data System (ADS)

    Xing, Yan; Reed, Galen D.; Pauly, John M.; Kerr, Adam B.; Larson, Peder E. Z.

    2013-09-01

    In metabolic MRI with hyperpolarized contrast agents, the signal levels vary over time due to T1 decay, T2 decay following RF excitations, and metabolic conversion. Efficient usage of the nonrenewable hyperpolarized magnetization requires specialized RF pulse schemes. In this work, we introduce two novel variable flip angle schemes for dynamic hyperpolarized MRI in which the flip angle is varied between excitations and between metabolites. These were optimized to distribute the magnetization relatively evenly throughout the acquisition by accounting for T1 decay, prior RF excitations, and metabolic conversion. Simulation results are presented to confirm the flip angle designs and evaluate the variability of signal dynamics across typical ranges of T1 and metabolic conversion. They were implemented using multiband spectral-spatial RF pulses to independently modulate the flip angle at various chemical shift frequencies. With these schemes we observed increased SNR of [1-13C]lactate generated from [1-13C]pyruvate, particularly at later time points. This will allow for improved characterization of tissue perfusion and metabolic profiles in dynamic hyperpolarized MRI.

  16. How to approximate viscoelastic dynamic topographies of stagnant lid planetary bodies?

    NASA Astrophysics Data System (ADS)

    Dumoulin, Caroline; Čadek, Ondřej; Choblet, Gaël

    2013-04-01

    Planetary mantles are viscoelastic media. However, since numerical models of thermal convection in a viscoelastic spherical shell are still very challenging, most of the studies concerning dynamic topography of planetary surfaces generated by mantle convection use one of the following simplified rheological set-up: i) IVF (instantaneous viscous flow), ii) viscous body with a free surface, or iii) hybrid methods combining viscous deformation and elastic filtering of the topography. Justifications for the use of such approximations instead of a fully viscoelastic rheology have been made on the basis of simple tests with step-like viscosity structures, with small to moderate viscosity contrasts. However, because the rheology of planetary materials is thermally activated, the radial stratification of viscosity is more likely to be a continuous function of depth, and global viscosity contrasts might be very large. In our study, we systematically compare viscoelastic dynamic topography induced by an internal load to topographies generated by the three different simplified approaches listed above using a realistic viscosity profile for a stagnant lid associated to the lithosphere of a one plate planete. To this purpose, we compute response functions of surface topography and geoid using three different semi-spectral models that all include self-gravitation: a) a linear Maxwell body with a pseudo free upper surface, b) a viscous body with a pseudo free upper surface, and c) a viscous body with a free-slip condition at the surface. Results obtained with this last model (IVF) can then be filtered using the elastic thin shell approximation: the effective elastic thickness then corresponds to the elastic thickness that is needed to fit the viscoelastic topography with an elastic filtering of the IVF topography. We show that the effective elastic thickness varies strongly with the degree of the load, with the depth of the load, and with the duration of the loading. These

  17. Dynamical passage to approximate equilibrium shapes for spinning, gravitating rubble asteroids

    NASA Astrophysics Data System (ADS)

    Sharma, Ishan; Jenkins, James T.; Burns, Joseph A.

    2009-03-01

    Many asteroids are thought to be particle aggregates held together principally by self-gravity. Here we study — for static and dynamical situations — the equilibrium shapes of spinning asteroids that are permitted for rubble piles. As in the case of spinning fluid masses, not all shapes are compatible with a granular rheology. We take the asteroid to always be an ellipsoid with an interior modeled as a rigid-plastic, cohesion-less material with a Drucker-Prager yield criterion. Using an approximate volume-averaged procedure, based on the classical method of moments, we investigate the dynamical process by which such objects may achieve equilibrium. We first collapse our dynamical approach to its statical limit to derive regions in spin-shape parameter space that allow equilibrium solutions to exist. At present, only a graphical illustration of these solutions for a prolate ellipsoid following the Drucker-Prager failure law is available [Sharma, I., Jenkins, J.T., Burns, J.A., 2005a. Bull. Am. Astron. Soc. 37, 643; Sharma, I., Jenkins, J.T., Burns, J.A., 2005b. Equilibrium shapes of ellipsoidal soil asteroids. In: García-Rojo, R., Hermann, H.J., McNamara, S. (Eds.), Proceedings of the 5th International Conference on Micromechanics of Granular Media, vol. 1. A.A. Balkema, UK; Holsapple, K.A., 2007. Icarus 187, 500-509]. Here, we obtain the equilibrium landscapes for general triaxial ellipsoids, as well as provide the requisite governing formulae. In addition, we demonstrate that it may be possible to better interpret the results of Richardson et al. [Richardson, D.C., Elankumaran, P., Sanderson, R.E., 2005. Icarus 173, 349-361] within the context of a Drucker-Prager material. The graphical result for prolate ellipsoids in the static limit is the same as those of Holsapple [Holsapple, K.A., 2007. Icarus 187, 500-509] because, when worked out, his final equations will match ours. This is because, though the formalisms to reach these expressions differ, in statics

  18. Parallel implementation of 3D FFT with volumetric decomposition schemes for efficient molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Jung, Jaewoon; Kobayashi, Chigusa; Imamura, Toshiyuki; Sugita, Yuji

    2016-03-01

    Three-dimensional Fast Fourier Transform (3D FFT) plays an important role in a wide variety of computer simulations and data analyses, including molecular dynamics (MD) simulations. In this study, we develop hybrid (MPI+OpenMP) parallelization schemes of 3D FFT based on two new volumetric decompositions, mainly for the particle mesh Ewald (PME) calculation in MD simulations. In one scheme, (1d_Alltoall), five all-to-all communications in one dimension are carried out, and in the other, (2d_Alltoall), one two-dimensional all-to-all communication is combined with two all-to-all communications in one dimension. 2d_Alltoall is similar to the conventional volumetric decomposition scheme. We performed benchmark tests of 3D FFT for the systems with different grid sizes using a large number of processors on the K computer in RIKEN AICS. The two schemes show comparable performances, and are better than existing 3D FFTs. The performances of 1d_Alltoall and 2d_Alltoall depend on the supercomputer network system and number of processors in each dimension. There is enough leeway for users to optimize performance for their conditions. In the PME method, short-range real-space interactions as well as long-range reciprocal-space interactions are calculated. Our volumetric decomposition schemes are particularly useful when used in conjunction with the recently developed midpoint cell method for short-range interactions, due to the same decompositions of real and reciprocal spaces. The 1d_Alltoall scheme of 3D FFT takes 4.7 ms to simulate one MD cycle for a virus system containing more than 1 million atoms using 32,768 cores on the K computer.

  19. Approximating high-dimensional dynamics by barycentric coordinates with linear programming

    SciTech Connect

    Hirata, Yoshito Aihara, Kazuyuki; Suzuki, Hideyuki; Shiro, Masanori; Takahashi, Nozomu; Mas, Paloma

    2015-01-15

    The increasing development of novel methods and techniques facilitates the measurement of high-dimensional time series but challenges our ability for accurate modeling and predictions. The use of a general mathematical model requires the inclusion of many parameters, which are difficult to be fitted for relatively short high-dimensional time series observed. Here, we propose a novel method to accurately model a high-dimensional time series. Our method extends the barycentric coordinates to high-dimensional phase space by employing linear programming, and allowing the approximation errors explicitly. The extension helps to produce free-running time-series predictions that preserve typical topological, dynamical, and/or geometric characteristics of the underlying attractors more accurately than the radial basis function model that is widely used. The method can be broadly applied, from helping to improve weather forecasting, to creating electronic instruments that sound more natural, and to comprehensively understanding complex biological data.

  20. From thermal equilibrium to nonequilibrium quench dynamics: A conserving approximation for the interacting resonant level

    NASA Astrophysics Data System (ADS)

    Vinkler-Aviv, Yuval; Schiller, Avraham; Anders, Frithjof B.

    2014-10-01

    We develop a low-order conserving approximation for the interacting resonant-level model (IRLM), and apply it to (i) thermal equilibrium, (ii) nonequilibrium steady state, and (iii) nonequilibrium quench dynamics. Thermal equilibrium is first used to carefully gauge the quality of the approximation by comparing the results with other well-studied methods, and finding good agreement for small values of the interaction. We analytically show that the power-law exponent of the renormalized level width usually derived using renormalization group approaches can also be correctly obtained in our approach in the weak interaction limit. A closed expression for the nonequilibrium steady-state current is derived and analytically and numerically evaluated. We find a negative differential conductance at large voltages, and the exponent of the power-law suppression of the steady-state current is calculated analytically at zero temperature. The response of the system to quenches is investigated for a single lead as well as for two-lead setup at finite voltage bias at particle-hole symmetry using a self-consistent two-times Keldysh Green function approach, and results are presented for the time-dependent current for different bias and contact interaction strength.

  1. Estimating wildlife disease dynamics in complex systems using an Approximate Bayesian Computation framework.

    PubMed

    Kosmala, Margaret; Miller, Philip; Ferreira, Sam; Funston, Paul; Keet, Dewald; Packer, Craig

    2016-01-01

    Emerging infectious diseases of wildlife are of increasing concern to managers and conservation policy makers, but are often difficult to study and predict due to the complexity of host-disease systems and a paucity of empirical data. We demonstrate the use of an Approximate Bayesian Computation statistical framework to reconstruct the disease dynamics of bovine tuberculosis in Kruger National Park's lion population, despite limited empirical data on the disease's effects in lions. The modeling results suggest that, while a large proportion of the lion population will become infected with bovine tuberculosis, lions are a spillover host and long disease latency is common. In the absence of future aggravating factors, bovine tuberculosis is projected to cause a lion population decline of ~3% over the next 50 years, with the population stabilizing at this new equilibrium. The Approximate Bayesian Computation framework is a new tool for wildlife managers. It allows emerging infectious diseases to be modeled in complex systems by incorporating disparate knowledge about host demographics, behavior, and heterogeneous disease transmission, while allowing inference of unknown system parameters. PMID:27039526

  2. Estimating wildlife disease dynamics in complex systems using an Approximate Bayesian Computation framework.

    PubMed

    Kosmala, Margaret; Miller, Philip; Ferreira, Sam; Funston, Paul; Keet, Dewald; Packer, Craig

    2016-01-01

    Emerging infectious diseases of wildlife are of increasing concern to managers and conservation policy makers, but are often difficult to study and predict due to the complexity of host-disease systems and a paucity of empirical data. We demonstrate the use of an Approximate Bayesian Computation statistical framework to reconstruct the disease dynamics of bovine tuberculosis in Kruger National Park's lion population, despite limited empirical data on the disease's effects in lions. The modeling results suggest that, while a large proportion of the lion population will become infected with bovine tuberculosis, lions are a spillover host and long disease latency is common. In the absence of future aggravating factors, bovine tuberculosis is projected to cause a lion population decline of ~3% over the next 50 years, with the population stabilizing at this new equilibrium. The Approximate Bayesian Computation framework is a new tool for wildlife managers. It allows emerging infectious diseases to be modeled in complex systems by incorporating disparate knowledge about host demographics, behavior, and heterogeneous disease transmission, while allowing inference of unknown system parameters.

  3. Moment Approximation of Infection Dynamics in a Population of Moving Hosts

    PubMed Central

    Bonté, Bruno; Mathias, Jean-Denis; Duboz, Raphaël

    2012-01-01

    The modelling of contact processes between hosts is of key importance in epidemiology. Current studies have mainly focused on networks with stationary structures, although we know these structures to be dynamic with continuous appearance and disappearance of links over time. In the case of moving individuals, the contact network cannot be established. Individual-based models (IBMs) can simulate the individual behaviours involved in the contact process. However, with very large populations, they can be hard to simulate and study due to the computational costs. We use the moment approximation (MA) method to approximate a stochastic IBM with an aggregated deterministic model. We illustrate the method with an application in animal epidemiology: the spread of the highly pathogenic virus H5N1 of avian influenza in a poultry flock. The MA method is explained in a didactic way so that it can be reused and extended. We compare the simulation results of three models: 1. an IBM, 2. a MA, and 3. a mean-field (MF). The results show a close agreement between the MA model and the IBM. They highlight the importance for the models to capture the displacement behaviours and the contact processes in the study of disease spread. We also illustrate an original way of using different models of the same system to learn more about the system itself, and about the representation we build of it. PMID:23272160

  4. Dynamic and balanced capacity allocation scheme with uniform bandwidth for OFDM-PON systems

    NASA Astrophysics Data System (ADS)

    Lei, Cheng; Chen, Hongwei; Chen, Minghua; Yu, Ying; Guo, Qiang; Yang, Sigang; Xie, Shizhong

    2015-03-01

    As the bitrate of orthogonal frequency division multiplexing passive optical network (OFDM-PON) system is continuously increasing, how to effectively allocate the system bandwidth among the huge number of optical network units (ONUs) is one of the key problems before OFDM-PON can be practical deployed. Unlike traditional bandwidth allocation scheme, in this paper, the transmission performance of single ONU is for the first time taken into consideration and optimized. To reduce the manufacturing complexity and fully utilize the processing ability of the receivers, the system bandwidth is equally distributed to the ONUs. Bit loading is used to allocate the total transmission capacity, and power loading is used to guarantee the ONUs have balanced transmission performance even if they operate at different bitrate. In this way, a dynamic and balanced capacity allocation scheme with uniform bandwidth for OFDM-PON systems can be realized. At last, an experimental system is established to verify the feasibility of the proposed scheme, and the influence that the scheme brings to the whole system is also analyzed.

  5. Analytical descriptions of cross-polarisation dynamics: relaxing the secular approximations

    NASA Astrophysics Data System (ADS)

    Hirschinger, J.; Raya, J.

    2015-11-01

    In this work, analytical expressions of the cross-polarisation (CP) dynamics under both static and magic-angle spinning (MAS) conditions are obtained by solving the generalised Liouville-von Neumann quantum mechanical equation beyond the standard approximations, i.e., reintroducing neglected non-secular terms in the system superoperator. Although the simple model of a two-spin system interacting with a spin bath gives a rather crude description of CP dynamics, it accounts well for the orientation dependence of CP in a static sample of ferrocene powder and permits to detect slight departures from the Hartmann-Hahn matching condition. This approach also has the advantage of yielding manageable analytical expressions that can be used even by less inclined or experienced workers to obtain results that are good enough in an operational sense. Moreover, the resulting spin diffusion rate constants containing different sources of anisotropy of the system-environment interaction as well as their dependence on the MAS frequency are related semi-quantitatively to the local network of dipolar interactions. Finally, it is shown that non-secular solutions improve significantly the analysis of CPMAS-based separated-local-field spectroscopy experimental data in the absence of homonuclear decoupling.

  6. Towards an ab-initio treatment of nonlocal electronic correlations with dynamical vertex approximation

    NASA Astrophysics Data System (ADS)

    Galler, Anna; Gunacker, Patrik; Tomczak, Jan; Thunström, Patrik; Held, Karsten

    Recently, approaches such as the dynamical vertex approximation (D ΓA) or the dual-fermion method have been developed. These diagrammatic approaches are going beyond dynamical mean field theory (DMFT) by including nonlocal electronic correlations on all length scales as well as the local DMFT correlations. Here we present our efforts to extend the D ΓA methodology to ab-initio materials calculations (ab-initio D ΓA). Our approach is a unifying framework which includes both GW and DMFT-type of diagrams, but also important nonlocal correlations beyond, e.g. nonlocal spin fluctuations. In our multi-band implementation we are using a worm sampling technique within continuous-time quantum Monte Carlo in the hybridization expansion to obtain the DMFT vertex, from which we construct the reducible vertex function using the two particle-hole ladders. As a first application we show results for transition metal oxides. Support by the ERC project AbinitioDGA (306447) is acknowledged.

  7. Efficient massively parallel simulation of dynamic channel assignment schemes for wireless cellular communications

    NASA Technical Reports Server (NTRS)

    Greenberg, Albert G.; Lubachevsky, Boris D.; Nicol, David M.; Wright, Paul E.

    1994-01-01

    Fast, efficient parallel algorithms are presented for discrete event simulations of dynamic channel assignment schemes for wireless cellular communication networks. The driving events are call arrivals and departures, in continuous time, to cells geographically distributed across the service area. A dynamic channel assignment scheme decides which call arrivals to accept, and which channels to allocate to the accepted calls, attempting to minimize call blocking while ensuring co-channel interference is tolerably low. Specifically, the scheme ensures that the same channel is used concurrently at different cells only if the pairwise distances between those cells are sufficiently large. Much of the complexity of the system comes from ensuring this separation. The network is modeled as a system of interacting continuous time automata, each corresponding to a cell. To simulate the model, conservative methods are used; i.e., methods in which no errors occur in the course of the simulation and so no rollback or relaxation is needed. Implemented on a 16K processor MasPar MP-1, an elegant and simple technique provides speedups of about 15 times over an optimized serial simulation running on a high speed workstation. A drawback of this technique, typical of conservative methods, is that processor utilization is rather low. To overcome this, new methods were developed that exploit slackness in event dependencies over short intervals of time, thereby raising the utilization to above 50 percent and the speedup over the optimized serial code to about 120 times.

  8. GC-based dynamic QoS priority handoff scheme in multimedia cellular systems

    NASA Astrophysics Data System (ADS)

    Chen, Huan; Kumar, Sunil; Kuo, C.-C. Jay

    2001-03-01

    A dynamic call admission control (CAC) and its associated resource reservation (RR) schemes are proposed in this research based on the guard channel (GC) concept for a wireless cellular system supporting multiple QoS classes. A comprehensive service model is developed, which includes not only mobile terminals' bandwidth requirements but also their different levels of priorities, rate adaptivity and mobility. The proposed CAC policy selects the resource access thresold according to the estimated number of incoming call requests of different QoS classes. The amount of resources to be reserved is dynamically adjusted by considering neighboring-cell higher-priority calls which are likely to handoff. The handoff interaction between adjacent cells is estimated by using radio propagation in terms of the signal-to-noise ratio (SNR) and the distance of each active call in neighboring cells. Experiments are conducted by using the OPNET simulator to study the performance of the proposed scheme under various traffic conditions. It is shown that better QoS guarantees can be provided by the proposed CAC and RR schemes.

  9. Theory of motion for monopole-dipole singularities of classical Yang-Mills-Higgs fields. II. Approximation scheme and equations of motion

    NASA Astrophysics Data System (ADS)

    Drechsler, Wolfgang; Havas, Peter; Rosenblum, Arnold

    1984-02-01

    In the preceding paper, the laws of motion were established for classical particles with spin which are monopole-dipole singularities of Yang-Mills-Higgs fields. In this paper, a systematic approximation scheme is developed for solving the coupled nonlinear field equations in any order and for determining the corresponding equations of motion. In zeroth order the potentials are taken as the usual Liénard-Wiechert and Bhabha-Harish-Chandra potentials (generalized to isospace); in this order the solutions are necessarily Abelian, since the isovector describing the charge is constant. The regularization necessary to obtain expressions finite on the world lines of the particles is achieved by the method of Riesz potentials. All fields are taken as retarded and are expressed in integral form. Omitting dipole interactions, the integrals for the various terms are carried out as far as possible for general motions, including radiation-reaction terms. In first order, the charge isovectors are no longer necessarily constant; thus the solutions are not necessarily Abelian, and it is possible for charge to be radiated away. The cases of time-symmetric field theory and of an action-at-a-distance formulation of the theory are discussed in an appendix.

  10. Field measurement of soil moisture dynamics and numerical simulation using the kinematic wave approximation

    NASA Astrophysics Data System (ADS)

    Rezzoug, A.; Schumann, A.; Chifflard, P.; Zepp, H.

    2005-09-01

    We investigate in this paper the effect of plane and profile curvatures on the soil moisture distribution and related fluxes obtained from field experiments. Today, there is a need also to confirm the theoretical approaches of the kinematic wave approximation with the real field measurements. Within a research project dedicated to the model-based description of runoff formation processes, field measurements of soil moisture dynamics and numerical simulation, using one simply formulated kinematic wave model, are combined. It is shown that the measurement of the soil moisture movement downwards within a hillslope can be interpreted by the kinematic wave model and vice versa how the model can be validated in its physical explanations by the field measurements. It is revealed that the soil moisture fluxes can be described by kinematic waves crossing the soil mantle of the hillslope. Based on these analyses it is shown that the two topographic characteristics plane and profile curvatures of the hillslope control the subsurface and saturation flow. The obtained results are related to the previous theoretical analysis of Fan and Bras [Fan Y, Bras RL. Analytical solutions to hillslope subsurface storm flow and saturation overland flow. Water Resour Res 1998;34(4):921-7], Troch et al. [Troch PA, Paniconi C, van Loon EE, Bijkerk B, Hilberts A. Behaviour of a hillslope-storage Boussinesq model for subsurface storm flow and saturation overland flow. International Workshop on Catchment, Wageningen 2000; Poster] and Troch et al. [Troch PA, van Loon C, Hilberts A. Analytical solutions to a hillslope-storage kinematic wave equation for subsurface flow. Adv Water Resour 2002;25:637-49] which have shown considerable progress in the modelling using the kinematic wave approximation.

  11. High resolution kinetic beam schemes in generalized coordinates for ideal quantum gas dynamics

    SciTech Connect

    Shi, Yu-Hsin; Huang, J.C.; Yang, J.Y. . E-mail: yangjy@iam.ntu.edu.tw

    2007-03-20

    A class of high resolution kinetic beam schemes in multiple space dimensions in general coordinates system for the ideal quantum gas is presented for the computation of quantum gas dynamical flows. The kinetic Boltzmann equation approach is adopted and the local equilibrium quantum statistics distribution is assumed. High-order accurate methods using essentially non-oscillatory interpolation concept are constructed. Computations of shock wave diffraction by a circular cylinder in an ideal quantum gas are conducted to illustrate the present method. The present method provides a viable means to explore various practical ideal quantum gas flows.

  12. Non-linear quantum-classical scheme to simulate non-equilibrium strongly correlated fermionic many-body dynamics.

    PubMed

    Kreula, J M; Clark, S R; Jaksch, D

    2016-01-01

    We propose a non-linear, hybrid quantum-classical scheme for simulating non-equilibrium dynamics of strongly correlated fermions described by the Hubbard model in a Bethe lattice in the thermodynamic limit. Our scheme implements non-equilibrium dynamical mean field theory (DMFT) and uses a digital quantum simulator to solve a quantum impurity problem whose parameters are iterated to self-consistency via a classically computed feedback loop where quantum gate errors can be partly accounted for. We analyse the performance of the scheme in an example case.

  13. Non-linear quantum-classical scheme to simulate non-equilibrium strongly correlated fermionic many-body dynamics

    PubMed Central

    Kreula, J. M.; Clark, S. R.; Jaksch, D.

    2016-01-01

    We propose a non-linear, hybrid quantum-classical scheme for simulating non-equilibrium dynamics of strongly correlated fermions described by the Hubbard model in a Bethe lattice in the thermodynamic limit. Our scheme implements non-equilibrium dynamical mean field theory (DMFT) and uses a digital quantum simulator to solve a quantum impurity problem whose parameters are iterated to self-consistency via a classically computed feedback loop where quantum gate errors can be partly accounted for. We analyse the performance of the scheme in an example case. PMID:27609673

  14. Non-linear quantum-classical scheme to simulate non-equilibrium strongly correlated fermionic many-body dynamics.

    PubMed

    Kreula, J M; Clark, S R; Jaksch, D

    2016-01-01

    We propose a non-linear, hybrid quantum-classical scheme for simulating non-equilibrium dynamics of strongly correlated fermions described by the Hubbard model in a Bethe lattice in the thermodynamic limit. Our scheme implements non-equilibrium dynamical mean field theory (DMFT) and uses a digital quantum simulator to solve a quantum impurity problem whose parameters are iterated to self-consistency via a classically computed feedback loop where quantum gate errors can be partly accounted for. We analyse the performance of the scheme in an example case. PMID:27609673

  15. Non-linear quantum-classical scheme to simulate non-equilibrium strongly correlated fermionic many-body dynamics

    NASA Astrophysics Data System (ADS)

    Kreula, J. M.; Clark, S. R.; Jaksch, D.

    2016-09-01

    We propose a non-linear, hybrid quantum-classical scheme for simulating non-equilibrium dynamics of strongly correlated fermions described by the Hubbard model in a Bethe lattice in the thermodynamic limit. Our scheme implements non-equilibrium dynamical mean field theory (DMFT) and uses a digital quantum simulator to solve a quantum impurity problem whose parameters are iterated to self-consistency via a classically computed feedback loop where quantum gate errors can be partly accounted for. We analyse the performance of the scheme in an example case.

  16. Partially implicit finite difference scheme for calculating dynamic pressure in a terrain-following coordinate non-hydrostatic ocean model

    NASA Astrophysics Data System (ADS)

    Liu, Zhe; Lin, Lei; Xie, Lian; Gao, Huiwang

    2016-10-01

    To improve the efficiency of the terrain-following σ-coordinate non-hydrostatic ocean model, a partially implicit finite difference (PIFD) scheme is proposed. By using explicit terms instead of implicit terms to discretize the parts of the vertical dynamic pressure gradient derived from the σ-coordinate transformation, the coefficient matrix of the discrete Poisson equation that the dynamic pressure satisfies can be simplified from 15 diagonals to 7 diagonals. The PIFD scheme is shown to run stably when it is applied to simulate five benchmark cases, namely, a standing wave in a basin, a surface solitary wave, a lock-exchange problem, a periodic wave over a bar and a tidally induced internal wave. Compared with the conventional fully implicit finite difference (FIFD) scheme, the PIFD scheme produces simulation results of equivalent accuracy at only 40-60% of the computational cost. The PIFD scheme demonstrates strong applicability and can be easily implemented in σ-coordinate ocean models.

  17. Free-streaming approximation in early dynamics of relativistic heavy-ion collisions

    SciTech Connect

    Broniowski, Wojciech; Florkowski, Wojciech; Chojnacki, Mikolaj; Kisiel, Adam

    2009-09-15

    We investigate an approximation to early dynamics in relativistic heavy-ion collisions, where after formation the partons are free streaming and around the proper time of 1 fm/c undergo a sudden equilibration described in terms of the Landau matching condition. We discuss physical and formal aspects of this approach. In particular, we show that initial azimuthally asymmetric transverse flow develops for noncentral collisions as a consequence of the sudden equilibration. Moreover, the energy-momentum tensor from the free-streaming stage matches very smoothly to the form used in the transverse hydrodynamics, whereas matching to isotropic hydrodynamics requires a more pronounced change in the energy-momentum tensor. After the hydrodynamic phase statistical hadronization is carried out with the help of THERMINATOR. The physical results for the transverse-momentum spectra, the elliptic-flow, and the Hanbury-Brown-Twiss correlation radii, including the ratio R{sub out}/R{sub side} as well as the dependence of the radii on the azimuthal angle (azHBT), are properly described within our approach. The agreement is equally good for a purely hydrodynamic evolution started at an early proper time of 0.25 fm/c, or for the free streaming started at that time, followed by the sudden equilibration at {tau}{approx}1 fm/c and then by perfect hydrodynamics. Thus, the inclusion of free streaming allows us to delay the start of hydrodynamics to more realistic times of the order of 1 fm/c.

  18. Modeling Aggregation of Ionic Surfactants Using a Smeared Charge Approximation in Dissipative Particle Dynamics Simulations.

    PubMed

    Mao, Runfang; Lee, Ming-Tsung; Vishnyakov, Aleksey; Neimark, Alexander V

    2015-09-01

    Using dissipative particle dynamics (DPD) simulations, we explore the specifics of micellization in the solutions of anionic and cationic surfactants and their mixtures. Anionic surfactant sodium dodecyl sulfate (SDS) and cationic surfactant cetyltrimethylammonium bromide (CTAB) are chosen as characteristic examples. Coarse-grained models of the surfactants are constructed and parameterized using a combination of atomistic molecular simulation and infinite dilution activity coefficient calibration. Electrostatic interactions of charged beads are treated using a smeared charge approximation: the surfactant heads and dissociated counterions are modeled as beads with charges distributed around the bead center in an implicit dielectric medium. The proposed models semiquantitatively describe self-assembly in solutions of SDS and CTAB at various surfactant concentrations and molarities of added electrolyte. In particular, the model predicts a decline in the free surfactant concentration with the increase of the total surfactant loading, as well as characteristic aggregation transitions in single-component surfactant solutions caused by the addition of salt. The calculated values of the critical micelle concentration reasonably agree with experimental observations. Modeling of catanionic SDS-CTAB mixtures show consecutive transitions to worm-like micelles and then to vesicles caused by the addition of CTAB to micellar solution of SDS. PMID:26241704

  19. Dynamics of a planar vortex filament under the quantum local induction approximation

    PubMed Central

    Van Gorder, Robert A.

    2014-01-01

    The Hasimoto planar vortex filament is one of the rare exact solutions to the classical local induction approximation (LIA). This solution persists in the absence of friction or other disturbances, and it maintains its form over time. As such, the dynamics of such a filament have not been extended to more complicated physical situations. We consider the planar vortex filament under the quantum LIA, which accounts for mutual friction and the velocity of a normal fluid impinging on the filament. We show that, for most interesting situations, a filament which is planar in the absence of mutual friction at zero temperature will gradually deform owing to friction effects and the normal fluid flow corresponding to warmer temperatures. The influence of friction is to induce torsion, so the filaments bend as they rotate. Furthermore, the flow of a normal fluid along the vortex filament length will result in a growth in space of the initial planar perturbations of a line filament. For warmer temperatures, these effects increase in magnitude, since the growth in space scales with the mutual friction coefficient. A number of nice qualitative results are analytical in nature, and these results are verified numerically for physically interesting cases. PMID:25484602

  20. Classical dynamics of a charged particle in a laser field beyond the dipole approximation

    NASA Astrophysics Data System (ADS)

    Jameson, Paul; Khvedelidze, Arsen

    2008-05-01

    The classical dynamics of a charged particle traveling in a laser field modeled by an elliptically polarized monochromatic electromagnetic plane wave is discussed within the time reparametrization invariant form of the nonrelativistic Hamilton-Jacobi theory. The exact parametric representation for a particle’s orbit in an arbitrary plane wave background beyond the dipole approximation and including effect of the magnetic field is derived. For an elliptically polarized monochromatic plane wave the particle’s trajectory, as an explicit function of the laboratory frame’s time, is given in terms of the Jacobian elliptic functions, whose modulus is proportional to the laser’s intensity and depends on the polarization of radiation. It is shown that the system exposes the intensity duality, correspondence between the motion in the backgrounds with various intensities. In virtue of the modular properties of the Jacobian functions, by starting with the representative “fundamental solution” and applying a certain modular transformation one can obtain the particle’s orbit in the monochromatic plane wave background with arbitrarily prescribed characteristics.

  1. Cascade statistics in the binary collision approximation and in full molecular dynamics

    NASA Astrophysics Data System (ADS)

    Hou, M.; Pan, Z.-Y.

    1995-08-01

    The Binary Collision Approximation (BCA) and Molecular Dynamics (MD) are used to simulate low energy atomic collision cascades in solids. Results are compared and discussed on the example of copper and gold self irradiation. For MD, long range N-body potentials are built, similar to those deduced from the second moment semi-empirical tight binding model. The pair interaction contribution is splined to a Molière screened Coulomb potential at small separation distances. This hybrid potential is checked for consistency with the already assessed N-body potential by means of thermal dynamics calculations in both the canonical (NVT) and the micro canonical (NVE) ensembles. Its use for long time enhanced diffusion simulations is discussed. The BCA calculations are performed with the MARLOWE program, using the same Molière potential as for MD, and modelling the N-body contribution by a binding of the atoms to their equilibrium lattice sites. The scattering integrals are estimated by means of a 4 points Gauss-Mehler quadrature. In MD, the NVT equations of motion are integrated with a constant time step of 2 fs. For the NVE cascade simulations, the Newton equations of motion are solved with a dynamically adjusted time step, kept lower than 2 fs. The influence of the time step on the simulated trajectories is discussed. The mean number of moving atoms with total energy above threshold values ranging from 1 to 100 eV is estimated as a function of time over 300 fs both with MARLOWE and by MD. This estimate is repeated for external primary energies ranging from 250 eV to 1 keV. In the case of copper, the BCA results are found to be in remarkable agreement with MD over about 200 fs cascade development, provided the size of the crystallite used in MD is sufficiently large in order to account for the early mechanical response of the close environment. This agreement between the two methods is found to be the best when the binding energy of the target atoms as modelled in the BCA

  2. A new time-marching scheme that suppresses spurious oscillations in the dynamic rupture problem of the spectral element method: the weighted velocity Newmark scheme

    NASA Astrophysics Data System (ADS)

    Zhou, Hong; Jiang, Han

    2015-11-01

    For dynamic rupture problems, numerical simulation methods, such as the finite-difference method, the finite-element method and the boundary integral element method, usually produce spurious high-frequency oscillations that are mainly generated by discontinuities in the friction law and poor resolution of the breakdown zone. Techniques have been developed to reduce the oscillations; for example, the application of a damping coefficient, the introduction of a Green's function with higher accuracy and the use of a high-frequency filter. Presently, the spectral element method (SEM) is an important method used to simulate strong ground motion because of its high precision in calculations and flexibility in gridding media. Its greatest advantage is that it applies the orthogonal property of Gauss-Lobatto-Legendre points to form a diagonal mass matrix and is thus suitable for parallel computation that greatly reduces the computational time. However, comparisons made in the SCEC/USGS Spontaneous Rupture Code Verification Project show that the SEM has larger high-frequency oscillations than some other numerical methods for dynamic rupture problems. In this paper, we propose a new time-marching scheme of the SEM that has the frequency response of suppressing high-frequency oscillations for the slip-weakening friction law. Computation in rupture problem illustrates that the scheme greatly reduces spurious high-frequency oscillations. Furthermore, in the Appendix of the paper we provide some formula derivation to distinguish our scheme from generalized velocity schemes.

  3. An extended-Lagrangian scheme for charge equilibration in reactive molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Nomura, Ken-ichi; Small, Patrick E.; Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya

    2015-07-01

    Reactive molecular dynamics (RMD) simulations describe chemical reactions at orders-of-magnitude faster computing speed compared with quantum molecular dynamics (QMD) simulations. A major computational bottleneck of RMD is charge-equilibration (QEq) calculation to describe charge transfer between atoms. Here, we eliminate the speed-limiting iterative minimization of the Coulombic energy in QEq calculation by adapting an extended-Lagrangian scheme that was recently proposed in the context of QMD simulations, Souvatzis and Niklasson (2014). The resulting XRMD simulation code drastically improves energy conservation compared with our previous RMD code, Nomura et al. (2008), while substantially reducing the time-to-solution. The XRMD code has been implemented on parallel computers based on spatial decomposition, achieving a weak-scaling parallel efficiency of 0.977 on 786,432 IBM Blue Gene/Q cores for a 67.6 billion-atom system.

  4. An Adaptive Scheme for Robot Localization and Mapping with Dynamically Configurable Inter-Beacon Range Measurements

    PubMed Central

    Torres-González, Arturo; Martinez-de Dios, Jose Ramiro; Ollero, Anibal

    2014-01-01

    This work is motivated by robot-sensor network cooperation techniques where sensor nodes (beacons) are used as landmarks for range-only (RO) simultaneous localization and mapping (SLAM). This paper presents a RO-SLAM scheme that actuates over the measurement gathering process using mechanisms that dynamically modify the rate and variety of measurements that are integrated in the SLAM filter. It includes a measurement gathering module that can be configured to collect direct robot-beacon and inter-beacon measurements with different inter-beacon depth levels and at different rates. It also includes a supervision module that monitors the SLAM performance and dynamically selects the measurement gathering configuration balancing SLAM accuracy and resource consumption. The proposed scheme has been applied to an extended Kalman filter SLAM with auxiliary particle filters for beacon initialization (PF-EKF SLAM) and validated with experiments performed in the CONET Integrated Testbed. It achieved lower map and robot errors (34% and 14%, respectively) than traditional methods with a lower computational burden (16%) and similar beacon energy consumption. PMID:24776938

  5. An adaptive scheme for robot localization and mapping with dynamically configurable inter-beacon range measurements.

    PubMed

    Torres-González, Arturo; Martinez-de Dios, Jose Ramiro; Ollero, Anibal

    2014-04-25

    This work is motivated by robot-sensor network cooperation techniques where sensor nodes (beacons) are used as landmarks for range-only (RO) simultaneous localization and mapping (SLAM). This paper presents a RO-SLAM scheme that actuates over the measurement gathering process using mechanisms that dynamically modify the rate and variety of measurements that are integrated in the SLAM filter. It includes a measurement gathering module that can be configured to collect direct robot-beacon and inter-beacon measurements with different inter-beacon depth levels and at different rates. It also includes a supervision module that monitors the SLAM performance and dynamically selects the measurement gathering configuration balancing SLAM accuracy and resource consumption. The proposed scheme has been applied to an extended Kalman filter SLAM with auxiliary particle filters for beacon initialization (PF-EKF SLAM) and validated with experiments performed in the CONET Integrated Testbed. It achieved lower map and robot errors (34% and 14%, respectively) than traditional methods with a lower computational burden (16%) and similar beacon energy consumption.

  6. An adaptive scheme for robot localization and mapping with dynamically configurable inter-beacon range measurements.

    PubMed

    Torres-González, Arturo; Martinez-de Dios, Jose Ramiro; Ollero, Anibal

    2014-01-01

    This work is motivated by robot-sensor network cooperation techniques where sensor nodes (beacons) are used as landmarks for range-only (RO) simultaneous localization and mapping (SLAM). This paper presents a RO-SLAM scheme that actuates over the measurement gathering process using mechanisms that dynamically modify the rate and variety of measurements that are integrated in the SLAM filter. It includes a measurement gathering module that can be configured to collect direct robot-beacon and inter-beacon measurements with different inter-beacon depth levels and at different rates. It also includes a supervision module that monitors the SLAM performance and dynamically selects the measurement gathering configuration balancing SLAM accuracy and resource consumption. The proposed scheme has been applied to an extended Kalman filter SLAM with auxiliary particle filters for beacon initialization (PF-EKF SLAM) and validated with experiments performed in the CONET Integrated Testbed. It achieved lower map and robot errors (34% and 14%, respectively) than traditional methods with a lower computational burden (16%) and similar beacon energy consumption. PMID:24776938

  7. Waste Heat Approximation for Understanding Dynamic Compression in Nature and Experiments

    NASA Astrophysics Data System (ADS)

    Jeanloz, R.

    2015-12-01

    Energy dissipated during dynamic compression quantifies the residual heat left in a planet due to impact and accretion, as well as the deviation of a loading path from an ideal isentrope. Waste heat ignores the difference between the pressure-volume isentrope and Hugoniot in approximating the dissipated energy as the area between the Rayleigh line and Hugoniot (assumed given by a linear dependence of shock velocity on particle velocity). Strength and phase transformations are ignored: justifiably, when considering sufficiently high dynamic pressures and reversible transformations. Waste heat mis-estimates the dissipated energy by less than 10-20 percent for volume compressions under 30-60 percent. Specific waste heat (energy per mass) reaches 0.2-0.3 c02 at impact velocities 2-4 times the zero-pressure bulk sound velocity (c0), its maximum possible value being 0.5 c02. As larger impact velocities are implied for typical orbital velocities of Earth-like planets, and c02 ≈ 2-30 MJ/kg for rock, the specific waste heat due to accretion corresponds to temperature rises of about 3-15 x 103 K for rock: melting accompanies accretion even with only 20-30 percent waste heat retained. Impact sterilization is similarly quantified in terms of waste heat relative to the energy required to vaporize H2O (impact velocity of 7-8 km/s, or 4.5-5 c0, is sufficient). Waste heat also clarifies the relationship between shock, multi-shock and ramp loading experiments, as well as the effect of (static) pre-compression. Breaking a shock into 2 steps significantly reduces the dissipated energy, with minimum waste heat achieved for two equal volume compressions in succession. Breaking a shock into as few as 4 steps reduces the waste heat to within a few percent of zero, documenting how multi-shock loading approaches an isentrope. Pre-compression, being less dissipative than an initial shock to the same strain, further reduces waste heat. Multi-shock (i.e., high strain-rate) loading of pre

  8. A new multi-tracer transport scheme for the dynamical core of NCAR's Community Atmosphere Model

    NASA Astrophysics Data System (ADS)

    Erath, C.

    2012-04-01

    The integration of a conservative semi-Lagrangian multi-tracer transport scheme (CSLAM) in NCAR's High-Order Method Modeling Environment (HOMME) is considered here. HOMME is a highly scalable atmospheric modeling framework, and its current horizontal discretization relies on spectral element (SE) and/or discontinuous Galerkin (DG) methods on the cubed-sphere. It is one dynamical core of NCAR's Community Atmosphere Model (CAM). The main advantage of CSLAM is that the upstream cell (trajectories) information and computation of weights of integrals can be reused for each additional tracer. This makes CSLAM particularly interesting for global atmospheric modeling with growing number of tracers, e.g. more than 100 tracers for the chemistry version of CAM. An algorithm specifically designed for multiple processors and on the cubed-sphere grid for CSLAM in HOMME is a challenging task. HOMME is running on an element ansatz on the six cube faces. Inside these elements we create an Eulerian finite volume grid of equiangular gnomonic type, which represents the arrival grid in the scheme. But CSLAM relies on backward trajectories, which entails a departure grid. That means departure and arrival grid don't necessary have to be on the same element and certainly not on the same cube face. Also the reconstruction for higher order modeling needs a patch of tracer values which extend the element. Here we consider a third order reconstruction method. Therefore, we introduce a halo for the tracer values in the cell centers of a cube-element. The size of this halo depends on the Courant number (CFL condition) and the reconstruction type. Note that for a third order scheme and CFL number < 1 we need at least a halo size four (four values in the halo in one direction). But the communication can be limited to one per time step. This data structure allows us to consider an element with its halo as one task where we have to be extra carful for elements which share a cube edge due to

  9. Improving the convergence of closed and open path integral molecular dynamics via higher order Trotter factorization schemes

    NASA Astrophysics Data System (ADS)

    Pérez, Alejandro; Tuckerman, Mark E.

    2011-08-01

    Higher order factorization schemes are developed for path integral molecular dynamics in order to improve the convergence of estimators for physical observables as a function of the Trotter number. The methods are based on the Takahashi-Imada and Susuki decompositions of the Boltzmann operator. The methods introduced improve the averages of the estimators by using the classical forces needed to carry out the dynamics to construct a posteriori weighting factors for standard path integral molecular dynamics. The new approaches are straightforward to implement in existing path integral codes and carry no significant overhead. The Suzuki higher order factorization was also used to improve the end-to-end distance estimator in open path integral molecular dynamics. The new schemes are tested in various model systems, including an ab initio path integral molecular dynamics calculation on the hydrogen molecule and a quantum water model. The proposed algorithms have potential utility for reducing the cost of path integral molecular dynamics calculations of bulk systems.

  10. A 3D GCL compatible cell-centered Lagrangian scheme for solving gas dynamics equations

    NASA Astrophysics Data System (ADS)

    Georges, Gabriel; Breil, Jérôme; Maire, Pierre-Henri

    2016-01-01

    Solving the gas dynamics equations under the Lagrangian formalism enables to simulate complex flows with strong shock waves. This formulation is well suited to the simulation of multi-material compressible fluid flows such as those encountered in the domain of High Energy Density Physics (HEDP). These types of flows are characterized by complex 3D structures such as hydrodynamic instabilities (Richtmyer-Meshkov, Rayleigh-Taylor, etc.). Recently, the 3D extension of different Lagrangian schemes has been proposed and appears to be challenging. More precisely, the definition of the cell geometry in the 3D space through the treatment of its non-planar faces and the limiting of a reconstructed field in 3D in the case of a second-order extension are of great interest. This paper proposes two new methods to solve these problems. A systematic and symmetric geometrical decomposition of polyhedral cells is presented. This method enables to define a discrete divergence operator leading to the respect of the Geometric Conservation Law (GCL). Moreover, a multi-dimensional minmod limiter is proposed. This new limiter constructs, from nodal gradients, a cell gradient which enables to ensure the monotonicity of the numerical solution even in presence of strong discontinuity. These new ingredients are employed into a cell-centered Lagrangian scheme. Robustness and accuracy are assessed against various representative test cases.

  11. Nonequilibrium molecular dynamics calculation of the thermal conductivity based on an improved relaxation scheme.

    PubMed

    Cao, Bing-Yang

    2008-08-21

    A nonequilibrium molecular dynamics (NEMD) method using stochastic energy injection and removal as uniform heat sources and sinks is developed to calculate the thermal conductivity. The stochastic energy is generated by a Maxwell function generator and is imposed on only a few individual molecules each time step. The relaxation of the thermal perturbation is improved compared to other NEMD algorithms because there are no localized heat source and sink slab regions in the system. The heat sources are uniformly distributed in the right half of the system while the sinks are in the left half, which leads to a periodically quadratic temperature distribution that is almost sinusoidal. The thermal conductivity is then easily calculated from the mean temperatures of the right and left half systems rather than by fitting the temperature profiles. This improved relaxation NEMD scheme is used to calculate the thermal conductivities of liquid and solid argons. It shows that the present algorithm gives accurate results with fast convergence and small size effects. Other stochastic energy perturbation, e.g., thermal noise, can be used to replace the Maxwell-type perturbation used in this paper to make the improved relaxation scheme more effective. PMID:19044759

  12. Neural-Dynamic-Method-Based Dual-Arm CMG Scheme With Time-Varying Constraints Applied to Humanoid Robots.

    PubMed

    Zhang, Zhijun; Li, Zhijun; Zhang, Yunong; Luo, Yamei; Li, Yuanqing

    2015-12-01

    We propose a dual-arm cyclic-motion-generation (DACMG) scheme by a neural-dynamic method, which can remedy the joint-angle-drift phenomenon of a humanoid robot. In particular, according to a neural-dynamic design method, first, a cyclic-motion performance index is exploited and applied. This cyclic-motion performance index is then integrated into a quadratic programming (QP)-type scheme with time-varying constraints, called the time-varying-constrained DACMG (TVC-DACMG) scheme. The scheme includes the kinematic motion equations of two arms and the time-varying joint limits. The scheme can not only generate the cyclic motion of two arms for a humanoid robot but also control the arms to move to the desired position. In addition, the scheme considers the physical limit avoidance. To solve the QP problem, a recurrent neural network is presented and used to obtain the optimal solutions. Computer simulations and physical experiments demonstrate the effectiveness and the accuracy of such a TVC-DACMG scheme and the neural network solver.

  13. An accurate scheme to solve cluster dynamics equations using a Fokker-Planck approach

    NASA Astrophysics Data System (ADS)

    Jourdan, T.; Stoltz, G.; Legoll, F.; Monasse, L.

    2016-10-01

    We present a numerical method to accurately simulate particle size distributions within the formalism of rate equation cluster dynamics. This method is based on a discretization of the associated Fokker-Planck equation. We show that particular care has to be taken to discretize the advection part of the Fokker-Planck equation, in order to avoid distortions of the distribution due to numerical diffusion. For this purpose we use the Kurganov-Noelle-Petrova scheme coupled with the monotonicity-preserving reconstruction MP5, which leads to very accurate results. The interest of the method is highlighted in the case of loop coarsening in aluminum. We show that the choice of the models to describe the energetics of loops does not significantly change the normalized loop distribution, while the choice of the models for the absorption coefficients seems to have a significant impact on it.

  14. Dynamic Online Bandwidth Adjustment Scheme Based on Kalai-Smorodinsky Bargaining Solution

    NASA Astrophysics Data System (ADS)

    Kim, Sungwook

    Virtual Private Network (VPN) is a cost effective method to provide integrated multimedia services. Usually heterogeneous multimedia data can be categorized into different types according to the required Quality of Service (QoS). Therefore, VPN should support the prioritization among different services. In order to support multiple types of services with different QoS requirements, efficient bandwidth management algorithms are important issues. In this paper, I employ the Kalai-Smorodinsky Bargaining Solution (KSBS) for the development of an adaptive bandwidth adjustment algorithm. In addition, to effectively manage the bandwidth in VPNs, the proposed control paradigm is realized in a dynamic online approach, which is practical for real network operations. The simulations show that the proposed scheme can significantly improve the system performances.

  15. Systematic renormalization scheme in light-front dynamics with Fock space truncation

    SciTech Connect

    Karmanov, V. A.; Smirnov, A. V.; Mathiot, J.-F.

    2008-04-15

    Within the framework of the covariant formulation of light-front dynamics, we develop a general nonperturbative renormalization scheme based on the Fock decomposition of the state vector and its truncation. The counterterms and bare parameters needed to renormalize the theory depend on the Fock sectors. We present a general strategy in order to calculate these quantities, as well as state vectors of physical systems, in a truncated Fock space. The explicit dependence of our formalism on the orientation of the light-front plane is essential in order to analyze the structure of the counterterms. We apply our formalism to the two-body (one fermion and one boson) truncation in the Yukawa model and in QED, and to the three-body truncation in a scalar model. In QED, we recover analytically, without any perturbative expansion, the renormalization of the electric charge, according to the requirements of the Ward identity.

  16. A Massive Parallel Variational Multiscale FEM Scheme Applied to Nonhydrostatic Atmospheric Dynamics

    NASA Astrophysics Data System (ADS)

    Vazquez, Mariano; Marras, Simone; Moragues, Margarida; Jorba, Oriol; Houzeaux, Guillaume; Aubry, Romain

    2010-05-01

    The solution of the fully compressible Euler equations of stratified flows is approached from the point of view of Computational Fluid Dynamics techniques. Specifically, the main aim of this contribution is the introduction of a Variational Multiscale Finite Element (CVMS-FE) approach to solve dry atmospheric dynamics effectively on massive parallel architectures with more than 1000 processors. The conservation form of the equations of motion is discretized in all directions with a Galerkin scheme with stabilization given by the compressible counterpart of the variational multiscale technique of Hughes [1] and Houzeaux et al. [2]. The justification of this effort is twofold: the search of optimal parallelization characteristics and linear scalability trends on petascale machines is one. The development of a numerical algorithm whose local nature helps maintaining minimal the communication among the processors implies, in fact, a large leap towards efficient parallel computing. Second, the rising trend to global models and models of higher spatial resolution naturally suggests the use of adaptive grids to only resolve zones of larger gradients while keeping the computational mesh properly coarse elsewhere (thus keeping the computational cost low). With these two hypotheses in mind, the finite element scheme presented here is an open option to the development of the next generation Numerical Weather Prediction (NWP) codes. This methodology is as new in Computational Fluid Dynamics for compressible flows at low Mach number as it is in Numerical Weather Prediction (NWP). We however mean to show its ability to maintain stability in the solution of thermal, gravity-driven flows in a stratified environment in the specific context of dry atmospheric dynamics. Standard two dimensional benchmarks are implemented and compared against the reference literature. In the context of thermal and gravity-driven flows in a neutral atmosphere, we present: (1) the density current

  17. Comparison of different coupling schemes between counterions and charged nanoparticles in multiparticle collision dynamics.

    PubMed

    Dahirel, Vincent; Zhao, Xudong; Jardat, Marie

    2016-08-01

    We applied the multiparticle collision dynamics (MPC) simulation technique to highly asymmetric electrolytes in solution, i.e., charged nanoparticles and their counterions in a solvent. These systems belong to a domain of solute size which ranges between the electrolyte and the colloidal domains, where most analytical theories are expected to fail, and efficient simulation techniques are still missing. MPC is a mesoscopic simulation method which mimics hydrodynamics properties of a fluid, includes thermal fluctuations, and can be coupled to a molecular dynamics of solutes. We took advantage of the size asymmetry between nanoparticles and counterions to treat the coupling between solutes and the solvent bath within the MPC method. Counterions were coupled to the solvent bath during the collision step and nanoparticles either through a direct interaction force or with stochastic rotation rules which mimic stick boundary conditions. Moreover, we adapted the simulation procedure to address the issue of the strong electrostatic interactions between solutes of opposite charges. We show that the short-ranged repulsion between counterions and nanoparticles can be modeled by stochastic reflection rules. This simulation scheme is very efficient from a computational point of view. We have also computed the transport coefficients for various densities. The diffusion of counterions was found in one case to increase slightly with the volume fraction of nanoparticles. The deviation of the electric conductivity from the ideal behavior (solutes at infinite dilution without any direct interactions) is found to be strong. PMID:27627422

  18. Comparison of different coupling schemes between counterions and charged nanoparticles in multiparticle collision dynamics

    NASA Astrophysics Data System (ADS)

    Dahirel, Vincent; Zhao, Xudong; Jardat, Marie

    2016-08-01

    We applied the multiparticle collision dynamics (MPC) simulation technique to highly asymmetric electrolytes in solution, i.e., charged nanoparticles and their counterions in a solvent. These systems belong to a domain of solute size which ranges between the electrolyte and the colloidal domains, where most analytical theories are expected to fail, and efficient simulation techniques are still missing. MPC is a mesoscopic simulation method which mimics hydrodynamics properties of a fluid, includes thermal fluctuations, and can be coupled to a molecular dynamics of solutes. We took advantage of the size asymmetry between nanoparticles and counterions to treat the coupling between solutes and the solvent bath within the MPC method. Counterions were coupled to the solvent bath during the collision step and nanoparticles either through a direct interaction force or with stochastic rotation rules which mimic stick boundary conditions. Moreover, we adapted the simulation procedure to address the issue of the strong electrostatic interactions between solutes of opposite charges. We show that the short-ranged repulsion between counterions and nanoparticles can be modeled by stochastic reflection rules. This simulation scheme is very efficient from a computational point of view. We have also computed the transport coefficients for various densities. The diffusion of counterions was found in one case to increase slightly with the volume fraction of nanoparticles. The deviation of the electric conductivity from the ideal behavior (solutes at infinite dilution without any direct interactions) is found to be strong.

  19. A derivation of centroid molecular dynamics and other approximate time evolution methods for path integral centroid variables

    NASA Astrophysics Data System (ADS)

    Jang, Seogjoo; Voth, Gregory A.

    1999-08-01

    Several methods to approximately evolve path integral centroid variables in real time are presented in this paper, the first of which, the centroid molecular dynamics (CMD) method, is recast into the new formalism of the preceding paper and thereby derived. The approximations involved in the CMD method are thus fully characterized by mathematical derivations. Additional new approaches are also presented: centroid Hamiltonian dynamics (CHD), linearized quantum dynamics (LQD), and a perturbative correction of the LQD method (PT-LQD). The CHD method is shown to be a variation of the CMD method which conserves the approximate time dependent centroid Hamiltonian. The LQD method amounts to a linear approximation for the quantum Liouville equation, while the PT-LQD method includes a perturbative correction to the LQD method. All of these approaches are then tested for the equilibrium position correlation functions of three different one-dimensional nondissipative model systems, and it is shown that certain quantum effects are accounted for by all of them, while others, such as the long time coherence characteristic of low-dimensional nondissipative systems, are not. The CMD method is found to be consistently better than the LQD method, while the PT-LQD method improves the latter and is better than the CMD method in most cases. The CHD method gives results complementary to those of the CMD method.

  20. Interpretation of ES, CS, and IOS approximations within a translational-internal coupling scheme. IV. ES and IOS molecule-molecule cross sections

    NASA Astrophysics Data System (ADS)

    Snider, R. F.; Parvatiyar, M. G.

    1981-05-01

    Properties of energy sudden and infinite order sudden translational-internal reduced S matrices are given for general molecule-molecule collisions. Formal similarities with the distorted wave Born approximation are discussed. Structural simplifications of energy dependent and kinetic cross sections associated with making the ES approximation are described. Conceptual difficulties associated with applying the ES and IOS approximations to kinetic processes dominated by energetically inelastic collisions are pointed out.

  1. A new flux splitting scheme for Euler equations of gas dynamics

    SciTech Connect

    Li, Xindong; Hu, Zongmin; Jiang, Zonglin

    2015-03-10

    A new flux splitting method named K-CUSP scheme is proposed in the paper. The major difference between K-CUSP and two traditional CUSP schemes (H-CUSP and E-CUSP) is that all kinematic quantities and all thermodynamic quantities in total enthalpy will be separately split into convective term and pressure term. The present scheme adopts the cell-face Mach number splitting method of AUSM+ scheme and the interface flux of pressure term is given a new way in the subsonic regime. Numerical solutions demonstrate that the new scheme inherits the simplicity and robustness of FVS schemes, which overcomes the shortcomings of pressure overshoot of shock wave in H-CUSP and E-CUSP schemes, but also retains the high-resolution of FDS schemes, which achieves the high accuracy of contact discontinuity and shock discontinuity.

  2. Completely conservative locally barotropic difference schemes for gas dynamics and magnetohydrodynamics

    SciTech Connect

    Goloviznin, V.M.; Samarskaya, E.A.

    1987-03-01

    The authors propose completely conservative locally barotropic MHD difference schemes in Lagrangian variables for the cases of planar and axial symmetry, along with completely conservative locally barotropic gasdynamic difference schemes in application to computations of spherically symmetrical flows.

  3. First-Principles Dynamical Coherent-Potential Approximation Approach to the Ferromagnetism of Fe, Co, and Ni

    NASA Astrophysics Data System (ADS)

    Kakehashi, Yoshiro

    2011-03-01

    Magnetic properties of Fe, Co, and Ni at finite temperatures have been investigated on the basis of the first-principles dynamical coherent potential approximation (CPA) combined with the local density approximation (LDA) + U Hamiltonian in the tight-binding linear muffintin orbital (TB-LMTO) representation. The Hamiltonian includes the transverse spin fluctuation terms. Numerical calculations have been performed within the harmonic approximation with 4th-order dynamical corrections. Calculated single-particle densities of states in the ferromagnetic state indicate that the dynamical effects reduce the exchange splitting, suppress the band width of the quasi-particle state, and causes incoherent excitations corresponding the 6 eV satellites. Results of the magnetization vs temperature curves, paramagnetic spin susceptibilities, and the amplitudes of local moments are presented. Calculated Curie temperatures (TC) are reported to be 1930 K for Fe, 2550 K for Co, and 620 K for Ni; TC for Fe and Co are overestimated by a factor of 1.8, while TC in Ni agrees with the experimental result. Effective Bohr magneton numbers calculated from the inverse susceptibilities are 3.0 μB (Fe), 3.0 μB (Co), and 1.6 μB (Ni), being in agreement with the experimental ones. Overestimate of TC in Fe and Co is attributed to the neglects of the higher-order dynamical effects as well as the magnetic short range order.

  4. Approximate finite element approach to the evaluation of fluid mass coupling effects in dynamic analysis of cylindrical shell structures

    SciTech Connect

    Mok, G.C.

    1982-01-01

    By comparisons with existing analytical and experimental results, it is shown that an approximate method can be used in the study of fluid mass coupling effects in the dynamic analysis of concentric circular cylindrical shells. In the approximate method, the fluid is represented by a mass matrix that is determined from a two-dimensional, small-amplitude, incompressible and inviscid fluid flow analysis, and the shell structures are modelled using axisymmetric shell finite elements for nonaxisymmetric deformations. An empirical relation is given to specify the condition under which the present method will be applicable. 18 refs.

  5. Quantum dynamics with sparse grids: a combination of Smolyak scheme and cubature. Application to methanol in full dimensionality.

    PubMed

    Lauvergnat, David; Nauts, André

    2014-02-01

    Quantum dynamical approaches based on product-grids are limited to the studies of molecular systems with few degrees of freedom, typically less than ten. Recently, Avila et al. [G. Avila, T. Carrington, J. Chem. Phys., 131 (2009) 174103] have introduced the Smolyak scheme [S.A. Smolyak, Sov. Math. Dokl., 4 (1963) 240], which considerably reduces the size of the grids. This approach has pushed back the present calculation limits on the vibrational spectra of polyatomic molecules. In the present study, we have developed an extension of the standard Smolyak scheme in which this scheme is combined with multidimensional grids, such as cubatures, to obtain new sparse grids. This scheme has been applied to the study of the torsional energy levels of methanol in full dimensionality (12D).

  6. A robust and novel dynamic-ID-based authentication scheme for care team collaboration with smart cards.

    PubMed

    Chang, Ya-Fen; Chen, Chia-Chen; Chang, Pei-Yu

    2013-04-01

    Nowadays, users/patients may gain desired medical services on-line because of the rapid development of computer network technologies. Conventional healthcare services are provided by a single server. However, care team collaboration by integrating services is the key to improve financial and clinical performance. How a user/patient accesses desired medical services provided by multiple servers becomes a challenge to realize care team collaboration. User authentication plays an important role to protect resources or services from being accessed by unauthorized users. In this paper, we first discuss the perceived security drawbacks of pervasive smart-card-based remote user authentication schemes. Then, we propose a novel dynamic-ID-based user authentication scheme based on elliptic curve cryptosystem (ECC) for multi-server environment with smart cards. The proposed scheme ensures user anonymity and computational efficiency and complies with essential requirements of a secure smart-card-based authentication scheme for multi-server environment to enable care team collaboration.

  7. Scheme of Optical Image Encryption with Digital Information Input and Dynamic Encryption Key based on Two LC SLMs

    NASA Astrophysics Data System (ADS)

    Bondareva, A. P.; Cheremkhin, P. A.; Evtikhiev, N. N.; Krasnov, V. V.; Starikov, S. N.

    Scheme of optical image encryption with digital information input and dynamic encryption key based on two liquid crystal spatial light modulators and operating with spatially-incoherent monochromatic illumination is experimentally implemented. Results of experiments on images optical encryption and numerical decryption are presented. Satisfactory decryption error of 0.20÷0.27 is achieved.

  8. A Complex-Valued Firing-Rate Model That Approximates the Dynamics of Spiking Networks

    PubMed Central

    Schaffer, Evan S.; Ostojic, Srdjan; Abbott, L. F.

    2013-01-01

    Firing-rate models provide an attractive approach for studying large neural networks because they can be simulated rapidly and are amenable to mathematical analysis. Traditional firing-rate models assume a simple form in which the dynamics are governed by a single time constant. These models fail to replicate certain dynamic features of populations of spiking neurons, especially those involving synchronization. We present a complex-valued firing-rate model derived from an eigenfunction expansion of the Fokker-Planck equation and apply it to the linear, quadratic and exponential integrate-and-fire models. Despite being almost as simple as a traditional firing-rate description, this model can reproduce firing-rate dynamics due to partial synchronization of the action potentials in a spiking model, and it successfully predicts the transition to spike synchronization in networks of coupled excitatory and inhibitory neurons. PMID:24204236

  9. On some approximations of the resultant contact forces and their applications in rigid body dynamics

    NASA Astrophysics Data System (ADS)

    Kudra, Grzegorz; Szewc, Michał; Wojtunik, Igor; Awrejcewicz, Jan

    2016-10-01

    The work presents the possible applications and effectiveness of certain class of models of the resultant friction force and rolling resistance. The friction models are based on the integral model constructed under assumption of fully developed sliding on the plane contact area of general shape and any pressure distribution. Then the integral model of friction force and moment are approximated based on Padé approximants and their generalizations. These models are expected to be computationally effective in numerical simulations of rigid bodies with frictional contacts, such like billiard balls, Thompson top, the wobble stone and many others. In the present work two different examples of application of the developed contact models are presented and tested: a) a billiard ball rolling and sliding on the plane horizontal table; b) a full ellipsoid of revolution in contact with plane and horizontal base.

  10. A 3+1 computational scheme for dynamic spherically symmetric black hole spacetimes: Initial data

    NASA Astrophysics Data System (ADS)

    Thornburg, Jonathan

    1999-05-01

    This is the first in a series of papers describing a 3+1 computational scheme for the numerical simulation of dynamic spherically symmetric black hole spacetimes. In this paper we discuss the construction of dynamic black hole initial data slices using York's conformal-decomposition algorithm in its most general form, where no restrictions are placed on K (the trace of the extrinsic curvature) and hence the full 4-vector nonlinear York equations must be solved numerically. To construct an initial data slice, we begin with a known black hole slice (e.g. a slice of Schwarzschild or Kerr spacetime), perturb this via some Ansatz (e.g. the addition of a suitable Gaussian to one of the coordinate components of the 3-metric, extrinsic curvature, or matter field variables), apply the York decomposition (using a further Ansatz for the inner boundary conditions) to project the perturbed field variables back into the constraint hypersurface, and finally optionally apply a numerical 3-coordinate transformation to restore any desired form for the spatial coordinates (e.g. an areal radial coordinate). In comparison to other initial data algorithms, the key advantage of this algorithm is its flexibility: K is unrestricted, allowing the use of whatever slicing is most suitable for (say) a time evolution. This algorithm also offers great flexibility in controlling the physical content of the initial data, while placing no restrictions on the type of matter fields, or on spacetime's symmetries or lack thereof. We have implemented this algorithm for the spherically symmetric scalar field system. We present numerical results for a number of asymptotically flat Eddington-Finkelstein-like initial data slices containing black holes surrounded by scalar field shells, the latter with masses ranging from as low as 0.17 to as high as 17 times the black hole mass. In all cases we find that the computed slices are very accurate: Using 4th order finite differencing on smoothly nonuniform grids

  11. Weak decays of 12+ and 32+ baryons in SU(4) dynamical scheme

    NASA Astrophysics Data System (ADS)

    Kanwar, Satish; Verma, R. C.; Khanna, M. P.

    1981-07-01

    Two-body weak decays of baryons are studied in a simple SU(4) dynamical scheme. Expressing the decay amplitudes in terms of eigenamplitudes in s, t, and u channels and assuming that the nonexotic intermediate states contribute dominantly, we find that the Glashow-Iliopoulos-Maiani weak Hamiltonian vanishes for the parity-violating (PV) decay mode. Starting with the most general weak Hamiltonian (15 ⊗ 15), we then obtain 15 dominance for the PV mode of uncharmed baryons including Ω-, whereas the charmed-hadron decays occur through 15A, 45A, 45*A. For the parity-conserving mode, we obtain 20" dominance of the weak Hamiltonian. However, uncharmed-baryon decays demand a 15S admixture. We predict null asymmetry for B(3)-->B(3*)+P(8), B(3)-->B(6)+P(8), B(3)-->D(10)+P(3*), B(3)-->B(8)+P(3*), and B(3*)-->D(10)+P(8), and for Ω*++3 decays. We also notice that only π+ρ+-emitting decays are allowed in the PV mode.

  12. Investigation of uncertainties of establishment schemes in dynamic global vegetation models

    NASA Astrophysics Data System (ADS)

    Song, Xiang; Zeng, Xiaodong

    2014-01-01

    In Dynamic Global Vegetation Models (DGVMs), the establishment of woody vegetation refers to flowering, fertilization, seed production, germination, and the growth of tree seedlings. It determines not only the population densities but also other important ecosystem structural variables. In current DGVMs, establishments of woody plant functional types (PFTs) are assumed to be either the same in the same grid cell, or largely stochastic. We investigated the uncertainties in the competition of establishment among coexisting woody PFTs from three aspects: the dependence of PFT establishments on vegetation states; background establishment; and relative establishment potentials of different PFTs. Sensitivity experiments showed that the dependence of establishment rate on the fractional coverage of a PFT favored the dominant PFT by increasing its share in establishment. While a small background establishment rate had little impact on equilibrium states of the ecosystem, it did change the timescale required for the establishment of alien species in pre-existing forest due to their disadvantage in seed competition during the early stage of invasion. Meanwhile, establishment purely from background (the scheme commonly used in current DGVMs) led to inconsistent behavior in response to the change in PFT specification (e.g., number of PFTs and their specification). Furthermore, the results also indicated that trade-off between individual growth and reproduction/colonization has significant influences on the competition of establishment. Hence, further development of establishment parameterization in DGVMs is essential in reducing the uncertainties in simulations of both ecosystem structures and successions.

  13. General Force-Field Parametrization Scheme for Molecular Dynamics Simulations of Conjugated Materials in Solution.

    PubMed

    Wildman, Jack; Repiščák, Peter; Paterson, Martin J; Galbraith, Ian

    2016-08-01

    We describe a general scheme to obtain force-field parameters for classical molecular dynamics simulations of conjugated polymers. We identify a computationally inexpensive methodology for calculation of accurate intermonomer dihedral potentials and partial charges. Our findings indicate that the use of a two-step methodology of geometry optimization and single-point energy calculations using DFT methods produces potentials which compare favorably to high level theory calculation. We also report the effects of varying the conjugated backbone length and alkyl side-chain lengths on the dihedral profiles and partial charge distributions and determine the existence of converged lengths above which convergence is achieved in the force-field parameter sets. We thus determine which calculations are required for accurate parametrization and the scope of a given parameter set for variations to a given molecule. We perform simulations of long oligomers of dioctylfluorene and hexylthiophene in explicit solvent and find peristence lengths and end-length distributions consistent with experimental values. PMID:27397762

  14. Dynamics of high-risk nonvaccine human papillomavirus types after actual vaccination scheme.

    PubMed

    Peralta, Raúl; Vargas-De-León, Cruz; Cabrera, Augusto; Miramontes, Pedro

    2014-01-01

    Human papillomavirus (HPV) has been identified as the main etiological factor in the developing of cervical cancer (CC). This finding has propitiated the development of vaccines that help to prevent the HPVs 16 and 18 infection. Both genotypes are associated with 70% of CC worldwide. In the present study, we aimed to determine the emergence of high-risk nonvaccine HPV after actual vaccination scheme to estimate the impact of the current HPV vaccines. A SIR-type model was used to study the HPV dynamics after vaccination. According to the results, our model indicates that the application of the vaccine reduces infection by target or vaccine genotypes as expected. However, numerical simulations of the model suggest the presence of the phenomenon called vaccine-induced pathogen strain replacement. Here, we report the following replacement mechanism: if the effectiveness of cross-protective immunity is not larger than the effectiveness of the vaccine, then the high-risk nonvaccine genotypes emerge. In this scenario, further studies of infection dispersion by HPV are necessary to ascertain the real impact of the current vaccines, primarily because of the different high-risk HPV types that are found in CC.

  15. General Force-Field Parametrization Scheme for Molecular Dynamics Simulations of Conjugated Materials in Solution

    PubMed Central

    2016-01-01

    We describe a general scheme to obtain force-field parameters for classical molecular dynamics simulations of conjugated polymers. We identify a computationally inexpensive methodology for calculation of accurate intermonomer dihedral potentials and partial charges. Our findings indicate that the use of a two-step methodology of geometry optimization and single-point energy calculations using DFT methods produces potentials which compare favorably to high level theory calculation. We also report the effects of varying the conjugated backbone length and alkyl side-chain lengths on the dihedral profiles and partial charge distributions and determine the existence of converged lengths above which convergence is achieved in the force-field parameter sets. We thus determine which calculations are required for accurate parametrization and the scope of a given parameter set for variations to a given molecule. We perform simulations of long oligomers of dioctylfluorene and hexylthiophene in explicit solvent and find peristence lengths and end-length distributions consistent with experimental values. PMID:27397762

  16. Implicit flux-split Euler schemes for unsteady aerodynamic analysis involving unstructured dynamic meshes

    NASA Technical Reports Server (NTRS)

    Batina, John T.

    1990-01-01

    Improved algorithm for the solution of the time-dependent Euler equations are presented for unsteady aerodynamic analysis involving unstructured dynamic meshes. The improvements were developed recently to the spatial and temporal discretizations used by unstructured grid flow solvers. The spatial discretization involves a flux-split approach which is naturally dissipative and captures shock waves sharply with at most one grid point within the shock structure. The temporal discretization involves an implicit time-integration scheme using a Gauss-Seidel relaxation procedure which is computationally efficient for either steady or unsteady flow problems. For example, very large time steps may be used for rapid convergence to steady state, and the step size for unsteady cases may be selected for temporal accuracy rather than for numerical stability. Steady and unsteady flow results are presented for the NACA 0012 airfoil to demonstrate applications of the new Euler solvers. The unsteady results were obtained for the airfoil pitching harmonically about the quarter chord. The resulting instantaneous pressure distributions and lift and moment coefficients during a cycle of motion compare well with experimental data. A description of the Euler solvers is presented along with results and comparisons which assess the capability.

  17. Automatic selection of dynamic data partitioning schemes for distributed memory multicomputers

    NASA Technical Reports Server (NTRS)

    Palermo, Daniel J.; Banerjee, Prithviraj

    1995-01-01

    For distributed memory multicomputers such as the Intel Paragon, the IBM SP-2, the NCUBE/2, and the Thinking Machines CM-5, the quality of the data partitioning for a given application is crucial to obtaining high performance. This task has traditionally been the user's responsibility, but in recent years much effort has been directed to automating the selection of data partitioning schemes. Several researchers have proposed systems that are able to produce data distributions that remain in effect for the entire execution of an application. For complex programs, however, such static data distributions may be insufficient to obtain acceptable performance. The selection of distributions that dynamically change over the course of a program's execution adds another dimension to the data partitioning problem. In this paper, we present a technique that can be used to automatically determine which partitionings are most beneficial over specific sections of a program while taking into account the added overhead of performing redistribution. This system is being built as part of the PARADIGM (PARAllelizing compiler for DIstributed memory General-purpose Multicomputers) project at the University of Illinois. The complete system will provide a fully automated means to parallelize programs written in a serial programming model obtaining high performance on a wide range of distributed-memory multicomputers.

  18. Analysis and Dynamically Consistent Numerical Schemes for the SIS Model and Related Reaction Diffusion Equation

    NASA Astrophysics Data System (ADS)

    Lubuma, J. M.-S.; Mureithi, E.; Terefe, Y. A.

    2011-11-01

    The classical SIS epidemiological model is extended in two directions: (a) The number of adequate contacts per infective in unit time is assumed to be a function of the total population in such a way that this number grows less rapidly as the total population increases; (b) A diffusion term is added to the SIS model and this leads to a reaction diffusion equation, which governs the spatial spread of the disease. With the parameter R0 representing the basic reproduction number, it is shown that R0 = 1 is a forward bifurcation for the model (a), with the disease-free equilibrium being globally asymptotic stable when R0 is less than 1. In the case when R0 is greater than 1, traveling wave solutions are found for the model (b). Nonstandard finite difference (NSFD) schemes that replicate the dynamics of the continuous models are presented. In particular, for the model (a), a nonstandard version of the Runge-Kutta method having high order of convergence is investigated. Numerical experiments that support the theory are provided.

  19. Kinematic and dynamic modeling and approximate analysis of a roller chain drive

    NASA Astrophysics Data System (ADS)

    Fuglede, Niels; Thomsen, Jon Juel

    2016-03-01

    A simple roller chain drive consisting of two sprockets connected by tight chain spans is investigated. First, a kinematic model is presented which include both spans and sprockets. An approach for calculating the chain wrapping length is presented, which also allows for the exact calculation of sprocket center positions for a given chain length. The kinematic analysis demonstrates that the total length of the chain wrapped around the sprockets generally varies during one tooth period. Analytical predictions for the wrapping length are compared to multibody simulation results and show very good agreement. It is thereby demonstrated that chain drives with tight chain spans must include compliant components to function. Second, a dynamic model is presented which includes the two spans and the driven sprocket. Assuming the presence of a stationary operating state, the presented dynamic model allows for analytical studies of the coupled motion of the chain spans and driven sprocket. Parametric excitation of the spans come from sprocket angular displacements, and the driven sprocket acts as a boundary which can be compliant in the axial direction. External transverse excitation of the spans comes from polygonal action, and is treated through kinematic forcing at the moving string boundaries. Perturbation analysis of the model is carried out using the method of multiple scales. Results show a multitude of internal and external resonance conditions, and some examples are presented of both decoupled and coupled motion. Together, the kinematic and dynamic model are aimed toward providing a framework for conducting and understanding both numerical, and experimental investigations of roller chain drive dynamics.

  20. Quantum Dynamics of Dark and Dark-Bright Solitons beyond the Mean-Field Approximation

    NASA Astrophysics Data System (ADS)

    Krönke, Sven; Schmelcher, Peter

    2014-05-01

    Dark solitons are well-known excitations in one-dimensional repulsively interacting Bose-Einstein condensates, which feature a characteristical phase-jump across a density dip and form stability in the course of their dynamics. While these objects are stable within the celebrated Gross-Pitaevskii mean-field theory, the situation changes dramatically in the full many-body description: The condensate being initially in a dark soliton state dynamically depletes and the density notch fills up with depleted atoms. We analyze this process in detail with a particular focus on two-body correlations and the fate of grey solitons (dark solitons with finite density in the notch) and thereby complement the existing results in the literature. Moreover, we extend these studies to mixtures of two repulsively interacting bosonic species with a dark-bright soliton (dark soliton in one component filled with localized atoms of the other component) as the initial state. All these many-body quantum dynamics simulations are carried out with the recently developed multi-layer multi-configuration time-dependent Hartree method for bosons (ML-MCTDHB).

  1. Dynamical Chern-Simons modified gravity: Spinning black holes in the slow-rotation approximation

    SciTech Connect

    Yunes, Nicolas; Pretorius, Frans

    2009-04-15

    The low-energy limit of string theory contains an anomaly-canceling correction to the Einstein-Hilbert action, which defines an effective theory: Chern-Simons (CS) modified gravity. The CS correction consists of the product of a scalar field with the Pontryagin density, where the former can be treated as a background field (nondynamical formulation) or as an evolving field (dynamical formulation). Many solutions of general relativity persist in the modified theory; a notable exception is the Kerr metric, which has sparked a search for rotating black hole solutions. Here, for the first time, we find a solution describing a rotating black hole within the dynamical framework, and in the small-coupling/slow-rotation limit. The solution is axisymmetric and stationary, constituting a deformation of the Kerr metric with dipole scalar 'hair', whose effect on geodesic motion is to weaken the frame-dragging effect and shift the location of the innermost stable circular orbit outwards (inwards) relative to Kerr for corotating (counterrotating) geodesics. We further show that the correction to the metric scales inversely with the fourth power of the radial distance to the black hole, suggesting it will escape any meaningful bounds from weak-field experiments. For example, using binary pulsar data we can only place an initial bound on the magnitude of the dynamical coupling constant of {xi}{sup 1/4} < or approx. 10{sup 4} km. More stringent bounds will require observations of inherently strong-field phenomena.

  2. Communication: On the consistency of approximate quantum dynamics simulation methods for vibrational spectra in the condensed phase

    SciTech Connect

    Rossi, Mariana; Liu, Hanchao; Bowman, Joel; Paesani, Francesco; Ceriotti, Michele

    2014-11-14

    Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these limitations can be traced down to two approaches: methods that treat a small subset of the degrees of freedom with rigorous quantum mechanics, considering the rest of the system as a static or classical environment, and methods that treat the whole system quantum mechanically, but using approximate dynamics. Here, we perform a systematic comparison between these two philosophies for the description of quantum effects in vibrational spectroscopy, taking the Embedded Local Monomer model and a mixed quantum-classical model as representatives of the first family of methods, and centroid molecular dynamics and thermostatted ring polymer molecular dynamics as examples of the latter. We use as benchmarks D{sub 2}O doped with HOD and pure H{sub 2}O at three distinct thermodynamic state points (ice Ih at 150 K, and the liquid at 300 K and 600 K), modeled with the simple q-TIP4P/F potential energy and dipole moment surfaces. With few exceptions the different techniques yield IR absorption frequencies that are consistent with one another within a few tens of cm{sup −1}. Comparison with classical molecular dynamics demonstrates the importance of nuclear quantum effects up to the highest temperature, and a detailed discussion of the discrepancies between the various methods let us draw some (circumstantial) conclusions about the impact of the very different approximations that underlie them. Such cross validation between radically different approaches could indicate a way forward to further improve the state of the art in simulations of condensed-phase quantum dynamics.

  3. Communication: On the consistency of approximate quantum dynamics simulation methods for vibrational spectra in the condensed phase.

    PubMed

    Rossi, Mariana; Liu, Hanchao; Paesani, Francesco; Bowman, Joel; Ceriotti, Michele

    2014-11-14

    Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these limitations can be traced down to two approaches: methods that treat a small subset of the degrees of freedom with rigorous quantum mechanics, considering the rest of the system as a static or classical environment, and methods that treat the whole system quantum mechanically, but using approximate dynamics. Here, we perform a systematic comparison between these two philosophies for the description of quantum effects in vibrational spectroscopy, taking the Embedded Local Monomer model and a mixed quantum-classical model as representatives of the first family of methods, and centroid molecular dynamics and thermostatted ring polymer molecular dynamics as examples of the latter. We use as benchmarks D2O doped with HOD and pure H2O at three distinct thermodynamic state points (ice Ih at 150 K, and the liquid at 300 K and 600 K), modeled with the simple q-TIP4P/F potential energy and dipole moment surfaces. With few exceptions the different techniques yield IR absorption frequencies that are consistent with one another within a few tens of cm(-1). Comparison with classical molecular dynamics demonstrates the importance of nuclear quantum effects up to the highest temperature, and a detailed discussion of the discrepancies between the various methods let us draw some (circumstantial) conclusions about the impact of the very different approximations that underlie them. Such cross validation between radically different approaches could indicate a way forward to further improve the state of the art in simulations of condensed-phase quantum dynamics.

  4. Communication: On the consistency of approximate quantum dynamics simulation methods for vibrational spectra in the condensed phase

    NASA Astrophysics Data System (ADS)

    Rossi, Mariana; Liu, Hanchao; Paesani, Francesco; Bowman, Joel; Ceriotti, Michele

    2014-11-01

    Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these limitations can be traced down to two approaches: methods that treat a small subset of the degrees of freedom with rigorous quantum mechanics, considering the rest of the system as a static or classical environment, and methods that treat the whole system quantum mechanically, but using approximate dynamics. Here, we perform a systematic comparison between these two philosophies for the description of quantum effects in vibrational spectroscopy, taking the Embedded Local Monomer model and a mixed quantum-classical model as representatives of the first family of methods, and centroid molecular dynamics and thermostatted ring polymer molecular dynamics as examples of the latter. We use as benchmarks D2O doped with HOD and pure H2O at three distinct thermodynamic state points (ice Ih at 150 K, and the liquid at 300 K and 600 K), modeled with the simple q-TIP4P/F potential energy and dipole moment surfaces. With few exceptions the different techniques yield IR absorption frequencies that are consistent with one another within a few tens of cm-1. Comparison with classical molecular dynamics demonstrates the importance of nuclear quantum effects up to the highest temperature, and a detailed discussion of the discrepancies between the various methods let us draw some (circumstantial) conclusions about the impact of the very different approximations that underlie them. Such cross validation between radically different approaches could indicate a way forward to further improve the state of the art in simulations of condensed-phase quantum dynamics.

  5. Communication: On the consistency of approximate quantum dynamics simulation methods for vibrational spectra in the condensed phase.

    PubMed

    Rossi, Mariana; Liu, Hanchao; Paesani, Francesco; Bowman, Joel; Ceriotti, Michele

    2014-11-14

    Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these limitations can be traced down to two approaches: methods that treat a small subset of the degrees of freedom with rigorous quantum mechanics, considering the rest of the system as a static or classical environment, and methods that treat the whole system quantum mechanically, but using approximate dynamics. Here, we perform a systematic comparison between these two philosophies for the description of quantum effects in vibrational spectroscopy, taking the Embedded Local Monomer model and a mixed quantum-classical model as representatives of the first family of methods, and centroid molecular dynamics and thermostatted ring polymer molecular dynamics as examples of the latter. We use as benchmarks D2O doped with HOD and pure H2O at three distinct thermodynamic state points (ice Ih at 150 K, and the liquid at 300 K and 600 K), modeled with the simple q-TIP4P/F potential energy and dipole moment surfaces. With few exceptions the different techniques yield IR absorption frequencies that are consistent with one another within a few tens of cm(-1). Comparison with classical molecular dynamics demonstrates the importance of nuclear quantum effects up to the highest temperature, and a detailed discussion of the discrepancies between the various methods let us draw some (circumstantial) conclusions about the impact of the very different approximations that underlie them. Such cross validation between radically different approaches could indicate a way forward to further improve the state of the art in simulations of condensed-phase quantum dynamics. PMID:25399122

  6. A scatter-corrected list-mode reconstruction and a practical scatter/random approximation technique for dynamic PET imaging

    NASA Astrophysics Data System (ADS)

    Cheng, Ju-Chieh Kevin; Rahmim, Arman; Blinder, Stephan; Camborde, Marie-Laure; Raywood, Kelvin; Sossi, Vesna

    2007-04-01

    We describe an ordinary Poisson list-mode expectation maximization (OP-LMEM) algorithm with a sinogram-based scatter correction method based on the single scatter simulation (SSS) technique and a random correction method based on the variance-reduced delayed-coincidence technique. We also describe a practical approximate scatter and random-estimation approach for dynamic PET studies based on a time-averaged scatter and random estimate followed by scaling according to the global numbers of true coincidences and randoms for each temporal frame. The quantitative accuracy achieved using OP-LMEM was compared to that obtained using the histogram-mode 3D ordinary Poisson ordered subset expectation maximization (3D-OP) algorithm with similar scatter and random correction methods, and they showed excellent agreement. The accuracy of the approximated scatter and random estimates was tested by comparing time activity curves (TACs) as well as the spatial scatter distribution from dynamic non-human primate studies obtained from the conventional (frame-based) approach and those obtained from the approximate approach. An excellent agreement was found, and the time required for the calculation of scatter and random estimates in the dynamic studies became much less dependent on the number of frames (we achieved a nearly four times faster performance on the scatter and random estimates by applying the proposed method). The precision of the scatter fraction was also demonstrated for the conventional and the approximate approach using phantom studies. This work was supported by the Canadian Institute of Health Research, a TRIUMF Life Science Grant, the Natural Sciences and Engineering Research Council of Canada UFA (V Sossi) and the Michael Smith Foundation for Health Research Scholarship (V Sossi).

  7. Iteration Scheme for Implicit Calculations of Kinetic and Equilibrium Chemical Reactions in Fluid Dynamics

    NASA Astrophysics Data System (ADS)

    Ramshaw, J. D.; Chang, C. H.

    1995-02-01

    An iteration scheme for the implicit treatment of equilibrium chemical reactions in partial equilibrium flow has previously been described (J. D. Ramshaw and A. A. Amsden, J. Comput. Phys.59, 484 (1985); 71 , 224 (1987)). Here we generalize this scheme to kinetic reactions as well as equilibrium reactions. This extends the applicability of the scheme to problems with kinetic reactions that are fast in some regions of the flow field but slow in others. The resulting scheme thereby provides a single unified framework for the implicit treatment of an arbitrary number of coupled equilibrium and kinetic reactions in chemically reacting fluid flow.

  8. Recent improvements in efficiency, accuracy, and convergence for implicit approximate factorization algorithms. [computational fluid dynamics

    NASA Technical Reports Server (NTRS)

    Pulliam, T. H.; Steger, J. L.

    1985-01-01

    In 1977 and 1978, general purpose centrally space differenced implicit finite difference codes in two and three dimensions have been introduced. These codes, now called ARC2D and ARC3D, can run either in inviscid or viscous mode for steady or unsteady flow. Since the introduction of the ARC2D and ARC3D codes, overall computational efficiency could be improved by making use of a number of algorithmic changes. These changes are related to the use of a spatially varying time step, the use of a sequence of mesh refinements to establish approximate solutions, implementation of various ways to reduce inversion work, improved numerical dissipation terms, and more implicit treatment of terms. The present investigation has the objective to describe the considered improvements and to quantify advantages and disadvantages. It is found that using established and simple procedures, a computer code can be maintained which is competitive with specialized codes.

  9. The effect of rheological approximations on the dynamics and topography in 3D subduction-collision models

    NASA Astrophysics Data System (ADS)

    Pusok, Adina E.; Kaus, Boris J. P.; Popov, Anton A.

    2016-04-01

    Most of the major mountain belts and orogenic plateaus are found within the overlying plate of active or fossil subduction and/or collision zones. Moreover, they evolve differently from one another as the result of specific combinations of surface and mantle processes. These differences arise for several reasons, such as different rheological properties, different amounts of regional isostatic compensation, and different mechanisms by which forces are applied to the convergent plates. Previous 3D geodynamic models of subduction/collision processes have used various rheological approximations, making numerical results difficult to compare, since there is no clear image on the extent of these approximations on the dynamics. Here, we employ the code LaMEM to perform high-resolution long-term 3D simulations of subduction/continental collision in an integrated lithospheric and upper-mantle scale model. We test the effect of rheological approximations on mantle and lithosphere dynamics in a geometrically simplified model setup that resembles a tectonic map of the India-Asia collision zone. We use the "sticky-air" approach to allow for the development of topography and the dynamics of subduction and collision is entirely driven by slab-pull (i.e. "free subduction"). The models exhibit a wide range of behaviours depending on the rheological law employed: from linear to temperature-dependent visco-elasto-plastic rheology that takes into account both diffusion and dislocation creep. For example, we find that slab dynamics varies drastically between end member models: in viscous approximations, slab detachment is slow following a viscous thinning, while for a non-linear visco-elasto-plastic rheology, slab detachment is relatively fast, inducing strong mantle flow in the slab window. We also examine the stress states in the subducting and overriding plates and topography evolution in the upper plate, and we discuss the implications on lithosphere dynamics at convergent margins

  10. A Dynamically Computed Convective Time Scale for the Kain–Fritsch Convective Parameterization Scheme

    EPA Science Inventory

    Many convective parameterization schemes define a convective adjustment time scale τ as the time allowed for dissipation of convective available potential energy (CAPE). The Kain–Fritsch scheme defines τ based on an estimate of the advective time period for deep con...

  11. A finite difference approximation for dynamic calculation of vertical free hanging slender risers in re-entry application

    NASA Astrophysics Data System (ADS)

    Wang, Sheng-wei; Xu, Xue-song; Yao, Bao-heng; Lian, Lian

    2012-12-01

    The dynamic calculations of slender marine risers, such as Finite Element Method (FEM) or Modal Expansion Solution Method (MESM), are mainly for the slender structures with their both ends hinged to the surface and bottom. However, for the re-entry operation, risers held by vessels are in vertical free hanging state, so the displacement and velocity of lower joint would not be zero. For the model of free hanging flexible marine risers, the paper proposed a Finite Difference Approximation (FDA) method for its dynamic calculation. The riser is divided into a reasonable number of rigid discrete segments. And the dynamic model is established based on simple Euler-Bernoulli Beam Theory concerning tension, shear forces and bending moments at each node along the cylindrical structures, which is extendible for different boundary conditions. The governing equations with specific boundary conditions for riser's free hanging state are simplified by Keller-box method and solved with Newton iteration algorithm for a stable dynamic solution. The calculation starts when the riser is vertical and still in calm water, and its behavior is obtained along time responding to the lateral forward motion at the top. The dynamic behavior in response to the lateral parametric excitation at the top is also proposed and discussed in this paper.

  12. Ordering and dynamics of the central tetrahedron in the 1/1 Zn6Sc periodic approximant to quasicrystal.

    PubMed

    Euchner, Holger; Yamada, Tsunetomo; Schober, Helmut; Rols, Stephane; Mihalkovič, Marek; Tamura, Ryuji; Ishimasa, Tsutomu; de Boissieu, Marc

    2012-10-17

    Periodic approximants to quasicrystals offer a unique opportunity to better understand the structure, physical properties and stabilizing mechanisms of their quasicrystal counterparts. We present a detailed study of the order-disorder phase transition occurring at about 160 K in the Zn(6)Sc cubic approximant to the icosahedral quasicrystal i-MgZnSc. This transition goes along with an anti-parallel ordering of the tetrahedra located at the centres of large atomic clusters, which are packed on a bcc lattice. Single crystal x-ray diffuse scattering shows that the tetrahedra display pre-transitional short range ordering above T(c) (Yamada et al 2012 in preparation). Using quasielastic neutron scattering (QENS) we clearly evidence this short range order to be dynamical in nature above T(c). The QENS data are consistent with a model of tetrahedra 'jumping' between almost equivalent positions, which is supported by molecular dynamics simulations. This demonstrates a unique dynamical flexibility of the Zn(6)Sc structure even at room temperature.

  13. Semiclassical theory of electronically nonadiabatic dynamics: Results of a linearized approximation to the initial value representation

    NASA Astrophysics Data System (ADS)

    Sun, Xiong; Wang, Haobin; Miller, William H.

    1998-11-01

    A linearized approximation to the semiclassical initial value representation (SC-IVR), referred to herein as the LSC-IVR, was used by us in a recent paper [J. Chem. Phys. 108, 9726 (1998)] to calculate reactive flux correlation functions for a model of a chemical reaction on a single potential energy surface. This paper shows how the LSC-IVR—which is much easier to apply than the full SC-IVR because it linearizes the phase difference between interfering classical trajectories—can be applied to electronically nonadiabatic processes, i.e., those involving transitions between different potential-energy surfaces. Applications to several model problems are presented to show its usefulness: These are the nonadiabatic scattering problems used by Tully to test surface-hopping models, and also the spin-boson model of coupled electronic states in a condensed phase environment. Though not as accurate as the full SC-IVR, the LSC-IVR does a reasonably good job for all these applications, even describing correctly Stuckelberg oscillations (interference between nonadiabatic transitions) and the transition between coherent and incoherent behavior in the spin-boson example.

  14. Semiclassical theory of electronically nonadiabatic dynamics: Results of a linearized approximation to the initial value representation

    SciTech Connect

    Sun, X.; Wang, H.; Miller, W.H. |

    1998-11-01

    A linearized approximation to the semiclassical initial value representation (SC-IVR), referred to herein as the LSC-IVR, was used by us in a recent paper [J. Chem. Phys. {bold 108}, 9726 (1998)] to calculate reactive flux correlation functions for a model of a chemical reaction on a single potential energy surface. This paper shows how the LSC-IVR{emdash}which is much easier to apply than the full SC-IVR because it linearizes the phase difference between interfering classical trajectories{emdash}can be applied to {ital electronically nonadiabatic} processes, i.e., those involving transitions between different potential-energy surfaces. Applications to several model problems are presented to show its usefulness: These are the nonadiabatic scattering problems used by Tully to test surface-hopping models, and also the spin{endash}boson model of coupled electronic states in a condensed phase environment. Though not as accurate as the full SC-IVR, the LSC-IVR does a reasonably good job for all these applications, even describing correctly Stuckelberg oscillations (interference between nonadiabatic transitions) and the transition between coherent and incoherent behavior in the spin{endash}boson example. {copyright} {ital 1998 American Institute of Physics.} thinsp

  15. Entanglement dynamics of two independent Jaynes-Cummings atoms without the rotating-wave approximation

    SciTech Connect

    Chen Qinghu; Yang Yuan; Liu Tao; Wang Kelin

    2010-11-15

    Entanglement evolution of two independent Jaynes-Cummings atoms without the rotating-wave approximation (RWA) is studied by a numerically exact approach. Previous results based on the RWA are essentially modified in the strong-coupling regime (g{>=}0.1), which has been reached in the recent experiments on the flux qubit coupled to the LC resonator. For the initial Bell state with anticorrelated spins, entanglement sudden death (ESD) is absent in the RWA but does appear in the present numerical calculation without the RWA. Aperiodic entanglement evolution in the strong-coupling regime is observed. The strong atom-cavity coupling facilitates the ESD. The sign of the detuning plays an essential role in the entanglement evolution for strong coupling, which is irrelevant in the RWA. Analytical results based on an unitary transformation are also given, which could not modify the RWA picture essentially. It is suggested that the activation of the photons may be the origin of ESD in this system.

  16. Interpreting scratch assays using pair density dynamics and approximate Bayesian computation.

    PubMed

    Johnston, Stuart T; Simpson, Matthew J; McElwain, D L Sean; Binder, Benjamin J; Ross, Joshua V

    2014-09-01

    Quantifying the impact of biochemical compounds on collective cell spreading is an essential element of drug design, with various applications including developing treatments for chronic wounds and cancer. Scratch assays are a technically simple and inexpensive method used to study collective cell spreading; however, most previous interpretations of scratch assays are qualitative and do not provide estimates of the cell diffusivity, D, or the cell proliferation rate, λ. Estimating D and λ is important for investigating the efficacy of a potential treatment and provides insight into the mechanism through which the potential treatment acts. While a few methods for estimating D and λ have been proposed, these previous methods lead to point estimates of D and λ, and provide no insight into the uncertainty in these estimates. Here, we compare various types of information that can be extracted from images of a scratch assay, and quantify D and λ using discrete computational simulations and approximate Bayesian computation. We show that it is possible to robustly recover estimates of D and λ from synthetic data, as well as a new set of experimental data. For the first time, our approach also provides a method to estimate the uncertainty in our estimates of D and λ. We anticipate that our approach can be generalized to deal with more realistic experimental scenarios in which we are interested in estimating D and λ, as well as additional relevant parameters such as the strength of cell-to-cell adhesion or the strength of cell-to-substrate adhesion.

  17. [Approximation of Time Series of Paramecia caudatum Dynamics by Verhulst and Gompertz Models: Non-traditional Approach].

    PubMed

    Nedorezov, L V

    2015-01-01

    For approximation of some well-known time series of Paramecia caudatun population dynamics (G. F. Gause, The Struggle for Existence, 1934) Verhulst and Gompertz models were used. The parameters were estimated for each of the models in two different ways: with the least squares method (global fitting) and non-traditional approach (a method of extreme points). The results obtained were compared and also with those represented by G. F. Gause. Deviations of theoretical (model) trajectories from experimental time series were tested using various non-parametric statistical tests. It was shown that the least square method-estimations lead to the results which not always meet the requirements imposed for a "fine" model. But in some cases a small modification of the least square method-estimations is possible allowing for satisfactory representations of experimental data set for approximation.

  18. [Approximation of Time Series of Paramecia caudatum Dynamics by Verhulst and Gompertz Models: Non-traditional Approach].

    PubMed

    Nedorezov, L V

    2015-01-01

    For approximation of some well-known time series of Paramecia caudatun population dynamics (G. F. Gause, The Struggle for Existence, 1934) Verhulst and Gompertz models were used. The parameters were estimated for each of the models in two different ways: with the least squares method (global fitting) and non-traditional approach (a method of extreme points). The results obtained were compared and also with those represented by G. F. Gause. Deviations of theoretical (model) trajectories from experimental time series were tested using various non-parametric statistical tests. It was shown that the least square method-estimations lead to the results which not always meet the requirements imposed for a "fine" model. But in some cases a small modification of the least square method-estimations is possible allowing for satisfactory representations of experimental data set for approximation. PMID:26349222

  19. Dynamics of pre- and post-choice behaviour: rats approximate optimal strategy in a discrete-trial decision task.

    PubMed

    Fam, Justine; Westbrook, Fred; Arabzadeh, Ehsan

    2015-03-22

    We simulate two types of environments to investigate how closely rats approximate optimal foraging. Rats initiated a trial where they chose between two spouts for sucrose, which was delivered at distinct probabilities. The discrete trial procedure used allowed us to observe the relationship between choice proportions, response latencies and obtained rewards. Our results show that rats approximate the optimal strategy across a range of environments that differ in the average probability of reward as well as the dynamics of the depletion-renewal cycle. We found that the constituent components of a single choice differentially reflect environmental contingencies. Post-choice behaviour, measured as the duration of time rats spent licking at the spouts on unrewarded trials, was the most sensitive index of environmental variables, adjusting most rapidly to changes in the environment. These findings have implications for the role of confidence in choice outcomes for guiding future choices. PMID:25694623

  20. Speed of sound in solid molecular hydrogen-deuterium: Quantum Molecular Dynamics Approximation

    NASA Astrophysics Data System (ADS)

    Guerrero, Carlo Luis; Perlado, Jose Manuel

    2016-05-01

    Uniformity of the solid layer is one of the critical points for an efficient ignition of the Deuterium-Tritium (DT) target. During the compression process this layer, perturbations grow as the Rayleigh-Taylor instability. Knowing the mechanical properties of this layer and its thermo-mechanical limits is necessary if we want to control or to minimize these instabilities. In this work we have used a simplified approach, replacing the DT ice system with a mixture of hydrogen-deuterium (HD) because beta decay of tritium complicates the analysis in the former case. Through simulation with ab initio methods we have calculated the elastic constants, the bulk modulus and sound velocity for hydrogen isotopes in solid molecular state. In this work we present the results for hydrogen-deuterium mixtures 50%-50%, at 15 K and with a compression which covers the range of 1 to 15 GPa. This system is interesting for study the early stages of the dynamic compression and provides conditions that are close to the manufacture of DT target in inertial confinement fusion. Discontinuities in the curve that have been observed on pure hydrogen, which are associated with phase transitions and the phase hysteresis.

  1. The effect of a dynamic soil scheme on the climate of the mid-Holocene and the Last Glacial Maximum

    NASA Astrophysics Data System (ADS)

    Stärz, Michael; Lohmann, Gerrit; Knorr, Gregor

    2016-04-01

    In order to account for coupled climate-soil processes, we have developed a soil scheme, which is asynchronously coupled to a comprehensive climate model with dynamic vegetation. This scheme considers vegetation as the primary control of changes in physical soil characteristics. We test the scheme for a warmer (mid-Holocene) and colder (Last Glacial Maximum) climate relative to the preindustrial climate. We find that the computed changes of physical soil characteristics lead to significant amplification of global climate anomalies, representing a positive feedback. The inclusion of the soil feedback yields an extra surface warming of 0.24°C for the mid-Holocene and an additional global cooling of 1.07°C for the Last Glacial Maximum. Transition zones such as desert/savannah and taiga/tundra exhibit a pronounced response in the model version with dynamic soil properties. Energy balance model analyses reveal that our soil scheme amplifies the temperature anomalies in the mid-to-high northern latitudes via changes in the planetary albedo and the effective longwave emissivity. As a result of the modified soil treatment and the positive feedback on climate, part of the underestimated mid-Holocene temperature response to orbital forcing can be reconciled in the model.

  2. The effect of a dynamic soil scheme on the climate of the mid-Holocene and the Last Glacial Maximum

    NASA Astrophysics Data System (ADS)

    Stärz, M.; Lohmann, G.; Knorr, G.

    2016-01-01

    In order to account for coupled climate-soil processes, we have developed a soil scheme which is asynchronously coupled to a comprehensive climate model with dynamic vegetation. This scheme considers vegetation as the primary control of changes in physical soil characteristics. We test the scheme for a warmer (mid-Holocene) and colder (Last Glacial Maximum) climate relative to the preindustrial climate. We find that the computed changes in physical soil characteristics lead to significant amplification of global climate anomalies, representing a positive feedback. The inclusion of the soil feedback yields an extra surface warming of 0.24 °C for the mid-Holocene and an additional global cooling of 1.07 °C for the Last Glacial Maximum. Transition zones such as desert-savannah and taiga-tundra exhibit a pronounced response in the model version with dynamic soil properties. Energy balance model analyses reveal that our soil scheme amplifies the temperature anomalies in the mid-to-high northern latitudes via changes in the planetary albedo and the effective longwave emissivity. As a result of the modified soil treatment and the positive feedback to climate, part of the underestimated mid-Holocene temperature response to orbital forcing can be reconciled in the model.

  3. Conserving approximations for strongly correlated electron systems - Bethe-Salpeter equation and dynamics for the two-dimensional Hubbard model

    NASA Technical Reports Server (NTRS)

    Bickers, N. E.; Scalapino, D. J.; White, S. R.

    1989-01-01

    A semianalytical approach is described for strongly correlated electronic systems which satisfies microscopic conservation laws, treats strong frequency and momentum dependences, and provides information on both static and dynamic properties. This approach may be used to treat large systems and temperatures lower than those currently accessible to finite-temperature quantum Monte Carlo techniques. Examples of such systems include heavy-electron compounds, organic Bechegaard salts, bis-(ethylenedithiolo)-TTF superconductors, and the oxide superconductors. The technique is based on the derivation and self-consistent solution of infinite-order conserving approximations. The technique is used to derive a low-temperature phase diagram and dynamic correlation functions for the two-dimensional Hubbard lattice model.

  4. Numerical simulation of the debris flow dynamics with an upwind scheme and specific friction treatment

    NASA Astrophysics Data System (ADS)

    Sánchez Burillo, Guillermo; Beguería, Santiago; Latorre, Borja; Burguete, Javier

    2014-05-01

    Debris flows, snow and rock avalanches, mud and earth flows are often modeled by means of a particular realization of the so called shallow water equations (SWE). Indeed, a number of simulation models have been already developed [1], [2], [3], [4], [5], [6], [7]. Debris flow equations differ from shallow water equations in two main aspects. These are (a) strong bed gradient and (b) rheology friction terms that differ from the traditional SWE. A systematic analysis of the numerical solution of the hyperbolic system of equations rising from the shallow water equations with different rheological laws has not been done. Despite great efforts have been done to deal with friction expressions common in hydraulics (such as Manning friction), landslide rheologies are characterized by more complicated expressions that may deal to unphysical solutions if not treated carefully. In this work, a software that solves the time evolution of sliding masses over complex bed configurations is presented. The set of non- linear equations is treated by means of a first order upwind explicit scheme, and the friction contribution to the dynamics is treated with a suited numerical scheme [8]. In addition, the software incorporates various rheological models to accommodate for different flow types, such as the Voellmy frictional model [9] for rock and debris avalanches, or the Herschley-Bulkley model for debris and mud flows. The aim of this contribution is to release this code as a free, open source tool for the simulation of mass movements, and to encourage the scientific community to make use of it. The code uses as input data the friction coefficients and two input files: the topography of the bed and the initial (pre-failure) position of the sliding mass. In addition, another file with the final (post-event) position of the sliding mass, if desired, can be introduced to be compared with the simulation obtained result. If the deposited mass is given, an error estimation is computed by

  5. Numerical simulation of the debris flow dynamics with an upwind scheme and specific friction treatment

    NASA Astrophysics Data System (ADS)

    Sánchez Burillo, Guillermo; Beguería, Santiago; Latorre, Borja; Burguete, Javier

    2014-05-01

    Debris flows, snow and rock avalanches, mud and earth flows are often modeled by means of a particular realization of the so called shallow water equations (SWE). Indeed, a number of simulation models have been already developed [1], [2], [3], [4], [5], [6], [7]. Debris flow equations differ from shallow water equations in two main aspects. These are (a) strong bed gradient and (b) rheology friction terms that differ from the traditional SWE. A systematic analysis of the numerical solution of the hyperbolic system of equations rising from the shallow water equations with different rheological laws has not been done. Despite great efforts have been done to deal with friction expressions common in hydraulics (such as Manning friction), landslide rheologies are characterized by more complicated expressions that may deal to unphysical solutions if not treated carefully. In this work, a software that solves the time evolution of sliding masses over complex bed configurations is presented. The set of non- linear equations is treated by means of a first order upwind explicit scheme, and the friction contribution to the dynamics is treated with a suited numerical scheme [8]. In addition, the software incorporates various rheological models to accommodate for different flow types, such as the Voellmy frictional model [9] for rock and debris avalanches, or the Herschley-Bulkley model for debris and mud flows. The aim of this contribution is to release this code as a free, open source tool for the simulation of mass movements, and to encourage the scientific community to make use of it. The code uses as input data the friction coefficients and two input files: the topography of the bed and the initial (pre-failure) position of the sliding mass. In addition, another file with the final (post-event) position of the sliding mass, if desired, can be introduced to be compared with the simulation obtained result. If the deposited mass is given, an error estimation is computed by

  6. Quantum dynamics of incoherently driven V-type systems: Analytic solutions beyond the secular approximation.

    PubMed

    Dodin, Amro; Tscherbul, Timur V; Brumer, Paul

    2016-06-28

    Closed-form analytic solutions to non-secular Bloch-Redfield master equations for quantum dynamics of a V-type system driven by weak coupling to a thermal bath, relevant to light harvesting processes, are obtained and discussed. We focus on noise-induced Fano coherences among the excited states induced by incoherent driving of the V-system initially in the ground state. For suddenly turned-on incoherent driving, the time evolution of the coherences is determined by the damping parameter ζ=12(γ1+γ2)/Δp, where γi are the radiative decay rates of the excited levels i = 1, 2, and Δp=Δ(2)+(1-p(2))γ1γ2 depends on the excited-state level splitting Δ > 0 and the angle between the transition dipole moments in the energy basis. The coherences oscillate as a function of time in the underdamped limit (ζ ≫ 1), approach a long-lived quasi-steady state in the overdamped limit (ζ ≪ 1), and display an intermediate behavior at critical damping (ζ = 1). The sudden incoherent turn-on is shown to generate a mixture of excited eigenstates |e1〉 and |e2〉 and their in-phase coherent superposition |ϕ+〉=1r1+r2(r1|e1〉+r2|e2〉), which is remarkably long-lived in the overdamped limit (where r1 and r2 are the incoherent pumping rates). Formation of this coherent superposition enhances the decay rate from the excited states to the ground state. In the strongly asymmetric V-system where the coupling strengths between the ground state and the excited states differ significantly, additional asymptotic quasistationary coherences are identified, which arise due to slow equilibration of one of the excited states. Finally, we demonstrate that noise-induced Fano coherences are maximized with respect to populations when r1 = r2 and the transition dipole moments are fully aligned. PMID:27369498

  7. Dynamic Key Management Schemes for Secure Group Access Control Using Hierarchical Clustering in Mobile Ad Hoc Networks

    NASA Astrophysics Data System (ADS)

    Tsaur, Woei-Jiunn; Pai, Haw-Tyng

    2008-11-01

    The applications of group computing and communication motivate the requirement to provide group access control in mobile ad hoc networks (MANETs). The operation in MANETs' groups performs a decentralized manner and accommodated membership dynamically. Moreover, due to lack of centralized control, MANETs' groups are inherently insecure and vulnerable to attacks from both within and outside the groups. Such features make access control more challenging in MANETs. Recently, several researchers have proposed group access control mechanisms in MANETs based on a variety of threshold signatures. However, these mechanisms cannot actually satisfy MANETs' dynamic environments. This is because the threshold-based mechanisms cannot be achieved when the number of members is not up to the threshold value. Hence, by combining the efficient elliptic curve cryptosystem, self-certified public key cryptosystem and secure filter technique, we construct dynamic key management schemes based on hierarchical clustering for securing group access control in MANETs. Specifically, the proposed schemes can constantly accomplish secure group access control only by renewing the secure filters of few cluster heads, when a cluster head joins or leaves a cross-cluster. In such a new way, we can find that the proposed group access control scheme can be very effective for securing practical applications in MANETs.

  8. A high-order time-parallel scheme for solving wave propagation problems via the direct construction of an approximate time-evolution operator

    DOE PAGES

    Haut, T. S.; Babb, T.; Martinsson, P. G.; Wingate, B. A.

    2015-06-16

    Our manuscript demonstrates a technique for efficiently solving the classical wave equation, the shallow water equations, and, more generally, equations of the form ∂u/∂t=Lu∂u/∂t=Lu, where LL is a skew-Hermitian differential operator. The idea is to explicitly construct an approximation to the time-evolution operator exp(τL)exp(τL) for a relatively large time-step ττ. Recently developed techniques for approximating oscillatory scalar functions by rational functions, and accelerated algorithms for computing functions of discretized differential operators are exploited. Principal advantages of the proposed method include: stability even for large time-steps, the possibility to parallelize in time over many characteristic wavelengths and large speed-ups over existingmore » methods in situations where simulation over long times are required. Numerical examples involving the 2D rotating shallow water equations and the 2D wave equation in an inhomogenous medium are presented, and the method is compared to the 4th order Runge–Kutta (RK4) method and to the use of Chebyshev polynomials. The new method achieved high accuracy over long-time intervals, and with speeds that are orders of magnitude faster than both RK4 and the use of Chebyshev polynomials.« less

  9. A high-order time-parallel scheme for solving wave propagation problems via the direct construction of an approximate time-evolution operator

    SciTech Connect

    Haut, T. S.; Babb, T.; Martinsson, P. G.; Wingate, B. A.

    2015-06-16

    Our manuscript demonstrates a technique for efficiently solving the classical wave equation, the shallow water equations, and, more generally, equations of the form ∂u/∂t=Lu∂u/∂t=Lu, where LL is a skew-Hermitian differential operator. The idea is to explicitly construct an approximation to the time-evolution operator exp(τL)exp(τL) for a relatively large time-step ττ. Recently developed techniques for approximating oscillatory scalar functions by rational functions, and accelerated algorithms for computing functions of discretized differential operators are exploited. Principal advantages of the proposed method include: stability even for large time-steps, the possibility to parallelize in time over many characteristic wavelengths and large speed-ups over existing methods in situations where simulation over long times are required. Numerical examples involving the 2D rotating shallow water equations and the 2D wave equation in an inhomogenous medium are presented, and the method is compared to the 4th order Runge–Kutta (RK4) method and to the use of Chebyshev polynomials. The new method achieved high accuracy over long-time intervals, and with speeds that are orders of magnitude faster than both RK4 and the use of Chebyshev polynomials.

  10. A distributed scheme to manage the dynamic coexistence of IEEE 802.15.4-based health-monitoring WBANs.

    PubMed

    Deylami, Mohammad N; Jovanov, Emil

    2014-01-01

    The overlap of transmission ranges between wireless networks as a result of mobility is referred to as dynamic coexistence. The interference caused by coexistence may significantly affect the performance of wireless body area networks (WBANs) where reliability is particularly critical for health monitoring applications. In this paper, we analytically study the effects of dynamic coexistence on the operation of IEEE 802.15.4-based health monitoring WBANs. The current IEEE 802.15.4 standard lacks mechanisms for effectively managing the coexistence of mobile WBANs. Considering the specific characteristics and requirements of health monitoring WBANs, we propose the dynamic coexistence management (DCM) mechanism to make IEEE 802.15.4-based WBANs able to detect and mitigate the harmful effects of coexistence. We assess the effectiveness of this scheme using extensive OPNET simulations. Our results indicate that DCM improves the successful transmission rates of dynamically coexisting WBANs by 20%-25% for typical medical monitoring applications.

  11. A robust and novel dynamic-ID-based authentication scheme for care team collaboration with smart cards.

    PubMed

    Chang, Ya-Fen; Chen, Chia-Chen; Chang, Pei-Yu

    2013-04-01

    Nowadays, users/patients may gain desired medical services on-line because of the rapid development of computer network technologies. Conventional healthcare services are provided by a single server. However, care team collaboration by integrating services is the key to improve financial and clinical performance. How a user/patient accesses desired medical services provided by multiple servers becomes a challenge to realize care team collaboration. User authentication plays an important role to protect resources or services from being accessed by unauthorized users. In this paper, we first discuss the perceived security drawbacks of pervasive smart-card-based remote user authentication schemes. Then, we propose a novel dynamic-ID-based user authentication scheme based on elliptic curve cryptosystem (ECC) for multi-server environment with smart cards. The proposed scheme ensures user anonymity and computational efficiency and complies with essential requirements of a secure smart-card-based authentication scheme for multi-server environment to enable care team collaboration. PMID:23355184

  12. Computational fluid dynamics modelling of biomass fast pyrolysis in fluidised bed reactors, focusing different kinetic schemes.

    PubMed

    Ranganathan, Panneerselvam; Gu, Sai

    2016-08-01

    The present work concerns with CFD modelling of biomass fast pyrolysis in a fluidised bed reactor. Initially, a study was conducted to understand the hydrodynamics of the fluidised bed reactor by investigating the particle density and size, and gas velocity effect. With the basic understanding of hydrodynamics, the study was further extended to investigate the different kinetic schemes for biomass fast pyrolysis process. The Eulerian-Eulerian approach was used to model the complex multiphase flows in the reactor. The yield of the products from the simulation was compared with the experimental data. A good comparison was obtained between the literature results and CFD simulation. It is also found that CFD prediction with the advanced kinetic scheme is better when compared to other schemes. With the confidence obtained from the CFD models, a parametric study was carried out to study the effect of biomass particle type and size and temperature on the yield of the products.

  13. Dynamical downscaling of regional climate over eastern China using RSM with multiple physics scheme ensembles

    NASA Astrophysics Data System (ADS)

    Peishu, Zong; Jianping, Tang; Shuyu, Wang; Lingyun, Xie; Jianwei, Yu; Yunqian, Zhu; Xiaorui, Niu; Chao, Li

    2016-06-01

    The parameterization of physical processes is one of the critical elements to properly simulate the regional climate over eastern China. It is essential to conduct detailed analyses on the effect of physical parameterization schemes on regional climate simulation, to provide more reliable regional climate change information. In this paper, we evaluate the 25-year (1983-2007) summer monsoon climate characteristics of precipitation and surface air temperature by using the regional spectral model (RSM) with different physical schemes. The ensemble results using the reliability ensemble averaging (REA) method are also assessed. The result shows that the RSM model has the capacity to reproduce the spatial patterns, the variations, and the temporal tendency of surface air temperature and precipitation over eastern China. And it tends to predict better climatology characteristics over the Yangtze River basin and the South China. The impact of different physical schemes on RSM simulations is also investigated. Generally, the CLD3 cloud water prediction scheme tends to produce larger precipitation because of its overestimation of the low-level moisture. The systematic biases derived from the KF2 cumulus scheme are larger than those from the RAS scheme. The scale-selective bias correction (SSBC) method improves the simulation of the temporal and spatial characteristics of surface air temperature and precipitation and advances the circulation simulation capacity. The REA ensemble results show significant improvement in simulating temperature and precipitation distribution, which have much higher correlation coefficient and lower root mean square error. The REA result of selected experiments is better than that of nonselected experiments, indicating the necessity of choosing better ensemble samples for ensemble.

  14. Implicit Total Variation Diminishing (TVD) schemes for steady-state calculations. [in gas dynamics

    NASA Technical Reports Server (NTRS)

    Yee, H. C.; Warming, R. F.; Harten, A.

    1985-01-01

    The novel implicit and unconditionally stable, high resolution Total Variation Diminishing (TVD) scheme whose application to steady state calculations is presently examined is a member of a one-parameter family of implicit, second-order accurate systems developed by Harten (1983) for the computation of weak solutions for one-dimensional hyperbolic conservation laws. The scheme will not generate spurious oscillations for a nonlinear scalar equation and a constant coefficient system. Numerical experiments for a quasi-one-dimensional nozzle problem show that the experimentally determined stability limit correlates exactly with the theoretical stability limit for the nonlinear scalar hyberbolic conservation laws.

  15. Electric Double-Layer Structure in Primitive Model Electrolytes. Comparing Molecular Dynamics with Local-Density Approximations

    DOE PAGES

    Giera, Brian; Lawrence Livermore National Lab.; Henson, Neil; Kober, Edward M.; Shell, M. Scott; Squires, Todd M.

    2015-02-27

    We evaluate the accuracy of local-density approximations (LDAs) using explicit molecular dynamics simulations of binary electrolytes comprised of equisized ions in an implicit solvent. The Bikerman LDA, which considers ions to occupy a lattice, poorly captures excluded volume interactions between primitive model ions. Instead, LDAs based on the Carnahan–Starling (CS) hard-sphere equation of state capture simulated values of ideal and excess chemical potential profiles extremely well, as is the relationship between surface charge density and electrostatic potential. Excellent agreement between the EDL capacitances predicted by CS-LDAs and computed in molecular simulations is found even in systems where ion correlations drivemore » strong density and free charge oscillations within the EDL, despite the inability of LDAs to capture the oscillations in the detailed EDL profiles.« less

  16. Electric Double-Layer Structure in Primitive Model Electrolytes. Comparing Molecular Dynamics with Local-Density Approximations

    SciTech Connect

    Giera, Brian; Henson, Neil; Kober, Edward M.; Shell, M. Scott; Squires, Todd M.

    2015-02-27

    We evaluate the accuracy of local-density approximations (LDAs) using explicit molecular dynamics simulations of binary electrolytes comprised of equisized ions in an implicit solvent. The Bikerman LDA, which considers ions to occupy a lattice, poorly captures excluded volume interactions between primitive model ions. Instead, LDAs based on the Carnahan–Starling (CS) hard-sphere equation of state capture simulated values of ideal and excess chemical potential profiles extremely well, as is the relationship between surface charge density and electrostatic potential. Excellent agreement between the EDL capacitances predicted by CS-LDAs and computed in molecular simulations is found even in systems where ion correlations drive strong density and free charge oscillations within the EDL, despite the inability of LDAs to capture the oscillations in the detailed EDL profiles.

  17. Approximate constants of motion for classically chaotic vibrational dynamics - Vague tori, semiclassical quantization, and classical intramolecular energy flow

    NASA Technical Reports Server (NTRS)

    Shirts, R. B.; Reinhardt, W. P.

    1982-01-01

    Substantial short time regularity, even in the chaotic regions of phase space, is found for what is seen as a large class of systems. This regularity manifests itself through the behavior of approximate constants of motion calculated by Pade summation of the Birkhoff-Gustavson normal form expansion; it is attributed to remnants of destroyed invariant tori in phase space. The remnant torus-like manifold structures are used to justify Einstein-Brillouin-Keller semiclassical quantization procedures for obtaining quantum energy levels, even in the absence of complete tori. They also provide a theoretical basis for the calculation of rate constants for intramolecular mode-mode energy transfer. These results are illustrated by means of a thorough analysis of the Henon-Heiles oscillator problem. Possible generality of the analysis is demonstrated by brief consideration of classical dynamics for the Barbanis Hamiltonian, Zeeman effect in hydrogen and recent results of Wolf and Hase (1980) for the H-C-C fragment.

  18. On a fourth order accurate implicit finite difference scheme for hyperbolic conservation laws. I - Nonstiff strongly dynamic problems

    NASA Technical Reports Server (NTRS)

    Harten, A.; Tal-Ezer, H.

    1981-01-01

    An implicit finite difference method of fourth order accuracy in space and time is introduced for the numerical solution of one-dimensional systems of hyperbolic conservation laws. The basic form of the method is a two-level scheme which is unconditionally stable and nondissipative. The scheme uses only three mesh points at level t and three mesh points at level t + delta t. The dissipative version of the basic method given is conditionally stable under the CFL (Courant-Friedrichs-Lewy) condition. This version is particularly useful for the numerical solution of problems with strong but nonstiff dynamic features, where the CFL restriction is reasonable on accuracy grounds. Numerical results are provided to illustrate properties of the proposed method.

  19. Vibrational configuration interaction using a tiered multimode scheme and tests of approximate treatments of vibrational angular momentum coupling: a case study for methane.

    PubMed

    Mielke, Steven L; Chakraborty, Arindam; Truhlar, Donald G

    2013-08-15

    We present vibrational configuration interaction calculations employing the Watson Hamiltonian and a multimode expansion. Results for the lowest 36 eigenvalues of the zero total angular momentum rovibrational spectrum of methane agree with the accurate benchmarks of Wang and Carrington to within a mean unsigned deviation of 0.68, 0.033, and 0.014 cm(-1) for 4-mode, 5-mode, and 6-mode representations, respectively. We note that in the case of the 5-mode results, this is a factor of 10 better agreement than for 5-mode calculations reported earlier by Wu, Huang, Carter, and Bowman for the same set of eigenvalues, which indicates that the multimode expansion is even more rapidly convergent than previously demonstrated. Our largest calculations employ a tiered approach with matrix elements treated using a variable-order multimode expansion with orders ranging from 4-mode to 7-mode; strategies for assigning matrix elements to particular multimode tiers are discussed. Improvements of 7-mode coupling over 6-mode coupling are small (averaging 0.002 cm(-1) for the first 36 eigenvalues) suggesting that 7-mode coupling is sufficient to fully converge the results. A number of approximate treatments of the computationally expensive vibrational angular momentum terms are explored. The use of optimized vibrational quadratures allows rapid integration of the matrix elements, especially the vibrational angular momentum terms, which require significantly fewer quadrature points than are required to integrate the potential. We assign the lowest 243 states and compare our results to those of Wang and Carrington, who provided assignments for the same set of states. Excellent agreement is observed for most states, but our results are lower for some of the higher-energy states by as much as 20 cm(-1), with the largest deviations being for the states with six quanta of excitation in the F2 bends, suggesting that the earlier results were not fully converged with respect to the basis set. We

  20. Network coding based joint signaling and dynamic bandwidth allocation scheme for inter optical network unit communication in passive optical networks

    NASA Astrophysics Data System (ADS)

    Wei, Pei; Gu, Rentao; Ji, Yuefeng

    2014-06-01

    As an innovative and promising technology, network coding has been introduced to passive optical networks (PON) in recent years to support inter optical network unit (ONU) communication, yet the signaling process and dynamic bandwidth allocation (DBA) in PON with network coding (NC-PON) still need further study. Thus, we propose a joint signaling and DBA scheme for efficiently supporting differentiated services of inter ONU communication in NC-PON. In the proposed joint scheme, the signaling process lays the foundation to fulfill network coding in PON, and it can not only avoid the potential threat to downstream security in previous schemes but also be suitable for the proposed hybrid dynamic bandwidth allocation (HDBA) scheme. In HDBA, a DBA cycle is divided into two sub-cycles for applying different coding, scheduling and bandwidth allocation strategies to differentiated classes of services. Besides, as network traffic load varies, the entire upstream transmission window for all REPORT messages slides accordingly, leaving the transmission time of one or two sub-cycles to overlap with the bandwidth allocation calculation time at the optical line terminal (the OLT), so that the upstream idle time can be efficiently eliminated. Performance evaluation results validate that compared with the existing two DBA algorithms deployed in NC-PON, HDBA demonstrates the best quality of service (QoS) support in terms of delay for all classes of services, especially guarantees the end-to-end delay bound of high class services. Specifically, HDBA can eliminate queuing delay and scheduling delay of high class services, reduce those of lower class services by at least 20%, and reduce the average end-to-end delay of all services over 50%. Moreover, HDBA also achieves the maximum delay fairness between coded and uncoded lower class services, and medium delay fairness for high class services.

  1. Control scheme of nonadiabatic transitions with the dynamical shift of potential curve crossing

    SciTech Connect

    Scheit, Simona; Arasaki, Yasuki Takatsuka, Kazuo

    2014-06-28

    We investigate how the nuclear dynamics at an avoided crossing is affected and can be controlled by the introduction of a laser field whose cycle is comparable to the time-scale of the nuclear dynamics. By introducing the concepts of light-induced effective potential energy curves and dynamical avoided crossing, we describe the laser controlled nuclear dynamics and present basic control scenarios, giving a detailed explanation of the underlying dynamical mechanisms. The scenarios presented allow for examples to understand from a different perspective the results of dynamic Stark control experiments. The proposed interpretation is applied to the laser-controlled nonadiabatic dynamics between the two lowest {sup 1}Σ{sup +} states of LiF, where the usefulness of the concepts developed is elucidated.

  2. Reduced quantum dynamics with arbitrary bath spectral densities: Hierarchical equations of motion based on several different bath decomposition schemes

    SciTech Connect

    Liu, Hao; Zhu, Lili; Bai, Shuming; Shi, Qiang

    2014-04-07

    We investigated applications of the hierarchical equation of motion (HEOM) method to perform high order perturbation calculations of reduced quantum dynamics for a harmonic bath with arbitrary spectral densities. Three different schemes are used to decompose the bath spectral density into analytical forms that are suitable to the HEOM treatment: (1) The multiple Lorentzian mode model that can be obtained by numerically fitting the model spectral density. (2) The combined Debye and oscillatory Debye modes model that can be constructed by fitting the corresponding classical bath correlation function. (3) A new method that uses undamped harmonic oscillator modes explicitly in the HEOM formalism. Methods to extract system-bath correlations were investigated for the above bath decomposition schemes. We also show that HEOM in the undamped harmonic oscillator modes can give detailed information on the partial Wigner transform of the total density operator. Theoretical analysis and numerical simulations of the spin-Boson dynamics and the absorption line shape of molecular dimers show that the HEOM formalism for high order perturbations can serve as an important tool in studying the quantum dissipative dynamics in the intermediate coupling regime.

  3. Reduced quantum dynamics with arbitrary bath spectral densities: hierarchical equations of motion based on several different bath decomposition schemes.

    PubMed

    Liu, Hao; Zhu, Lili; Bai, Shuming; Shi, Qiang

    2014-04-01

    We investigated applications of the hierarchical equation of motion (HEOM) method to perform high order perturbation calculations of reduced quantum dynamics for a harmonic bath with arbitrary spectral densities. Three different schemes are used to decompose the bath spectral density into analytical forms that are suitable to the HEOM treatment: (1) The multiple Lorentzian mode model that can be obtained by numerically fitting the model spectral density. (2) The combined Debye and oscillatory Debye modes model that can be constructed by fitting the corresponding classical bath correlation function. (3) A new method that uses undamped harmonic oscillator modes explicitly in the HEOM formalism. Methods to extract system-bath correlations were investigated for the above bath decomposition schemes. We also show that HEOM in the undamped harmonic oscillator modes can give detailed information on the partial Wigner transform of the total density operator. Theoretical analysis and numerical simulations of the spin-Boson dynamics and the absorption line shape of molecular dimers show that the HEOM formalism for high order perturbations can serve as an important tool in studying the quantum dissipative dynamics in the intermediate coupling regime.

  4. On the construction and application of implicit factored schemes for conservation laws. [in computational fluid dynamics

    NASA Technical Reports Server (NTRS)

    Warming, R. F.; Beam, R. M.

    1978-01-01

    Efficient, noniterative, implicit finite difference algorithms are systematically developed for nonlinear conservation laws including purely hyperbolic systems and mixed hyperbolic parabolic systems. Utilization of a rational fraction or Pade time differencing formulas, yields a direct and natural derivation of an implicit scheme in a delta form. Attention is given to advantages of the delta formation and to various properties of one- and two-dimensional algorithms.

  5. Energy conserving schemes for the simulation of musical instrument contact dynamics

    NASA Astrophysics Data System (ADS)

    Chatziioannou, Vasileios; van Walstijn, Maarten

    2015-03-01

    Collisions are an innate part of the function of many musical instruments. Due to the nonlinear nature of contact forces, special care has to be taken in the construction of numerical schemes for simulation and sound synthesis. Finite difference schemes and other time-stepping algorithms used for musical instrument modelling purposes are normally arrived at by discretising a Newtonian description of the system. However because impact forces are non-analytic functions of the phase space variables, algorithm stability can rarely be established this way. This paper presents a systematic approach to deriving energy conserving schemes for frictionless impact modelling. The proposed numerical formulations follow from discretising Hamilton's equations of motion, generally leading to an implicit system of nonlinear equations that can be solved with Newton's method. The approach is first outlined for point mass collisions and then extended to distributed settings, such as vibrating strings and beams colliding with rigid obstacles. Stability and other relevant properties of the proposed approach are discussed and further demonstrated with simulation examples. The methodology is exemplified through a case study on tanpura string vibration, with the results confirming the main findings of previous studies on the role of the bridge in sound generation with this type of string instrument.

  6. Coarse-graining scheme for simulating uniaxial stress-strain response of glassy polymers through molecular dynamics.

    PubMed

    Majumder, Manoj K; S, Ramkumar; Mahajan, Dhiraj K; Basu, Sumit

    2010-01-01

    Simulation of the deformation of polymers below their glass transition through molecular dynamics provides an useful route to correlate their molecular architecture to deformation behavior. However, present computational capabilities severely restrict the time and length scales that can be simulated when detailed models of these macromolecules are used. Coarse-graining techniques for macromolecular structures intend to make bigger and longer simulations possible by grouping atoms into superatoms and devising ways of determining reasonable force fields for the superatoms in a manner that retains essential macromolecular features relevant to the process under study but jettisons unnecessary details. In this work we systematically develop a coarse-graining scheme aimed at simulating uniaxial stress-strain behavior of polymers below their glass transition. The scheme involves a two step process of obtaining the coarse grained force field parameters above glass transition. This seems to be enough to obtain "faithful" stress-strain responses after quenching to below the glass transition temperature. We apply the scheme developed to a commercially important polymer polystyrene, derive its complete force field parameters and thus demonstrate the effectiveness of the technique.

  7. Grid integration and smart grid implementation of emerging technologies in electric power systems through approximate dynamic programming

    NASA Astrophysics Data System (ADS)

    Xiao, Jingjie

    A key hurdle for implementing real-time pricing of electricity is a lack of consumers' responses. Solutions to overcome the hurdle include the energy management system that automatically optimizes household appliance usage such as plug-in hybrid electric vehicle charging (and discharging with vehicle-to-grid) via a two-way communication with the grid. Real-time pricing, combined with household automation devices, has a potential to accommodate an increasing penetration of plug-in hybrid electric vehicles. In addition, the intelligent energy controller on the consumer-side can help increase the utilization rate of the intermittent renewable resource, as the demand can be managed to match the output profile of renewables, thus making the intermittent resource such as wind and solar more economically competitive in the long run. One of the main goals of this dissertation is to present how real-time retail pricing, aided by control automation devices, can be integrated into the wholesale electricity market under various uncertainties through approximate dynamic programming. What distinguishes this study from the existing work in the literature is that whole- sale electricity prices are endogenously determined as we solve a system operator's economic dispatch problem on an hourly basis over the entire optimization horizon. This modeling and algorithm framework will allow a feedback loop between electricity prices and electricity consumption to be fully captured. While we are interested in a near-optimal solution using approximate dynamic programming; deterministic linear programming benchmarks are use to demonstrate the quality of our solutions. The other goal of the dissertation is to use this framework to provide numerical evidence to the debate on whether real-time pricing is superior than the current flat rate structure in terms of both economic and environmental impacts. For this purpose, the modeling and algorithm framework is tested on a large-scale test case

  8. Tetrahedron dynamics in the icosahedral quasicrystals i-ZnMgSc and i-ZnAgSc and the cubic 1/1-approximant Zn6Sc.

    PubMed

    Euchner, H; Yamada, T; Rols, S; Ishimasa, T; Kaneko, Y; Ollivier, J; Schober, H; Mihalkovic, M; de Boissieu, M

    2013-03-20

    A comparison of periodic approximants and their quasicrystalline counterparts offers the opportunity to better understand the structure, physical properties and stabilizing mechanisms of these complex phases. We present a combined experimental and molecular dynamics study of the lattice dynamics of the icosahedral quasicrystals i-ZnMgSc and i-ZnAgSc and compare it to recently published results obtained for the cubic 1/1-approximant Zn(6)Sc. Both phases, quasicrystal and approximant, are built up from large atomic clusters which contain a tetrahedral shell at the cluster centre and are packed either quasiperiodically or on a bcc lattice. Using quasielastic neutron scattering and atomic scale simulations, we show that in the quasicrystal the tetrahedra display a dynamics similar to that observed in the 1/1-approximant: the tetrahedra behave as a 'single molecule' and reorient dynamically on a timescale of the order of a few ps. The tetrahedra reorientation is accompanied by a large distortion of the surrounding cluster shells which provide a unique dynamical flexibility to the quasicrystal. However, whereas in the 1/1-approximant the tetrahedron reorientation is observed down to T(c) = 160 K, where a phase transition takes place, in the quasicrystal the tetrahedron dynamics is gradually freezing from 550 to 300 K, similarly to a glassy system.

  9. BWM*: A Novel, Provable, Ensemble-based Dynamic Programming Algorithm for Sparse Approximations of Computational Protein Design.

    PubMed

    Jou, Jonathan D; Jain, Swati; Georgiev, Ivelin S; Donald, Bruce R

    2016-06-01

    Sparse energy functions that ignore long range interactions between residue pairs are frequently used by protein design algorithms to reduce computational cost. Current dynamic programming algorithms that fully exploit the optimal substructure produced by these energy functions only compute the GMEC. This disproportionately favors the sequence of a single, static conformation and overlooks better binding sequences with multiple low-energy conformations. Provable, ensemble-based algorithms such as A* avoid this problem, but A* cannot guarantee better performance than exhaustive enumeration. We propose a novel, provable, dynamic programming algorithm called Branch-Width Minimization* (BWM*) to enumerate a gap-free ensemble of conformations in order of increasing energy. Given a branch-decomposition of branch-width w for an n-residue protein design with at most q discrete side-chain conformations per residue, BWM* returns the sparse GMEC in O([Formula: see text]) time and enumerates each additional conformation in merely O([Formula: see text]) time. We define a new measure, Total Effective Search Space (TESS), which can be computed efficiently a priori before BWM* or A* is run. We ran BWM* on 67 protein design problems and found that TESS discriminated between BWM*-efficient and A*-efficient cases with 100% accuracy. As predicted by TESS and validated experimentally, BWM* outperforms A* in 73% of the cases and computes the full ensemble or a close approximation faster than A*, enumerating each additional conformation in milliseconds. Unlike A*, the performance of BWM* can be predicted in polynomial time before running the algorithm, which gives protein designers the power to choose the most efficient algorithm for their particular design problem.

  10. Robust master-slave synchronization for general uncertain delayed dynamical model based on adaptive control scheme.

    PubMed

    Wang, Tianbo; Zhou, Wuneng; Zhao, Shouwei; Yu, Weiqin

    2014-03-01

    In this paper, the robust exponential synchronization problem for a class of uncertain delayed master-slave dynamical system is investigated by using the adaptive control method. Different from some existing master-slave models, the considered master-slave system includes bounded unmodeled dynamics. In order to compensate the effect of unmodeled dynamics and effectively achieve synchronization, a novel adaptive controller with simple updated laws is proposed. Moreover, the results are given in terms of LMIs, which can be easily solved by LMI Toolbox in Matlab. A numerical example is given to illustrate the effectiveness of the method.

  11. An Efficient Time-Stepping Scheme for Ab Initio Molecular Dynamics Simulations

    NASA Astrophysics Data System (ADS)

    Tsuchida, Eiji

    2016-08-01

    In ab initio molecular dynamics simulations of real-world problems, the simple Verlet method is still widely used for integrating the equations of motion, while more efficient algorithms are routinely used in classical molecular dynamics. We show that if the Verlet method is used in conjunction with pre- and postprocessing, the accuracy of the time integration is significantly improved with only a small computational overhead. We also propose several extensions of the algorithm required for use in ab initio molecular dynamics. The validity of the processed Verlet method is demonstrated in several examples including ab initio molecular dynamics simulations of liquid water. The structural properties obtained from the processed Verlet method are found to be sufficiently accurate even for large time steps close to the stability limit. This approach results in a 2× performance gain over the standard Verlet method for a given accuracy. We also show how to generate a canonical ensemble within this approach.

  12. Connecting Personality Structure and Dynamics: Towards a More Evidence-Based and Clinically Useful Diagnostic Scheme.

    PubMed

    Hopwood, Christopher J; Zimmermann, Johannes; Pincus, Aaron L; Krueger, Robert F

    2015-08-01

    The purpose of this special issue of the Journal of Personality Disorders is to promote the integration of personality structure and dynamics towards more evidence-based and clinically useful conceptualizations of personality pathology. In this article, we describe a contemporary model of personality structure that is useful for distinguishing patients from one another and the connections between this structure and within-person dynamics that occur across different levels of an individual personality, across situations, and within situations. In so doing, we connect the personality trait tradition that has tended to emphasize stable individual differences with traditions that have tended to focus on the more dynamic aspects of interpersonal behavior and emotional experience. We then introduce the empirical articles in this special issue within this integrative context, in order to demonstrate the value in connecting personality structure to dynamics for research and practice.

  13. Approximating the trajectory attractor of the 3D Navier-Stokes system using various \\alpha-models of fluid dynamics

    NASA Astrophysics Data System (ADS)

    Chepyzhov, V. V.

    2016-04-01

    We study the limit as α\\to 0{+} of the long-time dynamics for various approximate α-models of a viscous incompressible fluid and their connection with the trajectory attractor of the exact 3D Navier-Stokes system. The α-models under consideration are divided into two classes depending on the orthogonality properties of the nonlinear terms of the equations generating every particular α-model. We show that the attractors of α-models of class I have stronger properties of attraction for their trajectories than the attractors of α-models of class II. We prove that for both classes the bounded families of trajectories of the α-models considered here converge in the corresponding weak topology to the trajectory attractor A_0 of the exact 3D Navier-Stokes system as time t tends to infinity. Furthermore, we establish that the trajectory attractor A_α of every α-model converges in the same topology to the attractor A_0 as α\\to 0{+}. We construct the minimal limits A\\min\\subseteqA_0 of the trajectory attractors A_α for all α-models as α\\to 0{+}. We prove that every such set A\\min is a compact connected component of the trajectory attractor A_0, and all the A\\min are strictly invariant under the action of the translation semigroup.Bibliography: 39 titles.

  14. Calibrating spatio-temporal models of leukocyte dynamics against in vivo live-imaging data using approximate Bayesian computation

    PubMed Central

    Barnes, Chris P.; Huvet, Maxime; Bugeon, Laurence; Thorne, Thomas; Lamb, Jonathan R.; Dallman, Margaret J.; Stumpf, Michael P. H.

    2016-01-01

    In vivo studies allow us to investigate biological processes at the level of the organism. But not all aspects of in vivo systems are amenable to direct experimental measurements. In order to make the most of such data we therefore require statistical tools that allow us to obtain reliable estimates for e.g. kinetic in vivo parameters. Here we show how we can use approximate Bayesian computation approaches in order to analyse leukocyte migration in zebrafish embryos in response to injuries. We track individual leukocytes using live imaging following surgical injury to the embryos’ tail-fins. The signalling gradient that leukocytes follow towards the site of the injury cannot be directly measured but we can estimate its shape and how it changes with time from the directly observed patterns of leukocyte migration. By coupling simple models of immune signalling and leukocyte migration with the unknown gradient shape into a single statistical framework we can gain detailed insights into the tissue-wide processes that are involved in the innate immune response to wound injury. In particular we find conclusive evidence for a temporally and spatially changing signalling gradient that modulates the changing activity of the leukocyte population in the embryos. We conclude with a robustness analysis which highlights the most important factors determining the leukocyte dynamics. Our approach relies only on the ability to simulate numerically the process under investigation and is therefore also applicable in other in vivo contexts and studies. PMID:22327539

  15. Dynamics of Impurity and Valence Bands in Ga1-xMnxAs Within the Dynamical Mean-Field Approximation

    SciTech Connect

    Majidi, M. A.; Moreno, Juana; Jarrell, Mark; Fishman, Randy Scott; Aryanpour, K. A.

    2006-08-01

    We calculate the density-of-states and the spectral function of Ga1−xMnxAs within the dynamical mean-field approximation. Our model includes the competing effects of the strong spin-orbit coupling on the J=3/2 GaAs hole bands and the exchange interaction between the magnetic ions and the itinerant holes. We study the quasiparticle and impurity bands in the paramagnetic and ferromagnetic phases for different values of impurity-hole coupling Jc at a Mn doping of x=0.05. By analyzing the anisotropic angular distribution of the impurity band carriers at T=0, we conclude that the carrier polarization is optimal when the carriers move along the direction parallel to the average magnetization.

  16. A wavelet-based scheme for optimum measurement/monitoring of dynamic responses of structures

    NASA Astrophysics Data System (ADS)

    Mahdavi, S. H.; Razak, H. A.

    2015-07-01

    This paper presents an optimum measurement for the dynamic responses of structures from the operation of integration to respective derivation of acceleration's data using free-scaled wavelet functions. For this purpose, the numerical approach of integration and derivation has been developed for displacement measurement or determination of the third-order derivative (known as quantity of the jerk) from acquired accelerations. A simple improved algorithm is developed in order to optimally measure the dynamic quantities particularly, using Chebyshev and Haar wavelet functions. It is deduced that, stable measurement of dynamic quantities is independently achieved from the structural materials through a satisfactory optimum algorithm; that is capable of online monitoring, while emphasizing on maximum accuracy of the measurement with less computational time.

  17. Parameter estimation scheme for fault detection and identification in dynamic systems

    SciTech Connect

    Dinca, L.; Aldemir, T.

    1996-12-31

    While several parameter estimation techniques have been proposed for fault detection and identification in dynamic systems, some difficulties in their implementation arise from (a) use of linear models to describe plant dynamics in a wide range of operating conditions, (b) accommodating noisy input data or random changes in system parameters, and (c) the need for extensive computational effort. This paper describes a parameter estimation technique that can alleviate these problems. The approach is described and illustrated using a third-order system describing temporal xenon oscillations.

  18. Primary damage in tungsten using the binary collision approximation, molecular dynamic simulations and the density functional theory

    NASA Astrophysics Data System (ADS)

    De Backer, A.; Sand, A.; Ortiz, C. J.; Domain, C.; Olsson, P.; Berthod, E.; Becquart, C. S.

    2016-02-01

    The damage produced by primary knock-on atoms (PKA) in W has been investigated from the threshold displacement energy (TDE) where it produces one self interstitial atom-vacancy pair to larger energies, up to 100 keV, where a large molten volume is formed. The TDE has been determined in different crystal directions using the Born-Oppenheimer density functional molecular dynamics (DFT-MD). A significant difference has been observed without and with the semi-core electrons. Classical MD has been used with two different empirical potentials characterized as ‘soft’ and ‘hard’ to obtain statistics on TDEs. Cascades of larger energy have been calculated, with these potentials, using a model that accounts for electronic losses (Sand et al 2013 Europhys. Lett. 103 46003). Two other sets of cascades have been produced using the binary collision approximation (BCA): a Monte Carlo BCA using SDTrimSP (Eckstein et al 2011 SDTrimSP: Version 5.00. Report IPP 12/8) (similar to SRIM www.srim.org) and MARLOWE (RSICC Home Page. (https://rsicc.ornl.gov/codes/psr/psr1/psr-137.html) (accessed May, 2014)). The comparison of these sets of cascades gave a recombination distance equal to 12 Å which is significantly larger from the one we reported in Hou et al (2010 J. Nucl. Mater. 403 89) because, here, we used bulk cascades rather than surface cascades which produce more defects (Stoller 2002 J. Nucl. Mater. 307 935, Nordlund et al 1999 Nature 398 49). Investigations on the defect clustering aspect showed that the difference between BCA and MD cascades is considerably reduced after the annealing of the cascade debris at 473 K using our Object Kinetic Monte Carlo model, LAKIMOCA (Domain et al 2004 J. Nucl. Mater. 335 121).

  19. Resonance in the dynamics of chemical systems simulated by the implicit midpoint scheme

    NASA Astrophysics Data System (ADS)

    Mandziuk, Margaret; Schlick, Tamar

    1995-05-01

    The numerical behavior of the symplectic, implicit midpoint method with a wide range of integration timesteps is examined through an application to a diatomic molecule governed by a Morse potential. Our oscillator with a 12.6 fs period exhibits notable, integrator induced, timestep- ( Δt) dependent resonances and we predict approximate values of Δt where they will occur. The particular case of a third-order resonance ( Δt ≈ 7 fs here) leads to instability, and higher-order resonances ( n = 4, 5) to large energetic fluctuations and/or corrupted phase diagrams. Significantly, for Δt > 10 fs the energy errors remain bound.

  20. Evaluation of Counter-Based Dynamic Load Balancing Schemes for Massive Contingency Analysis on Over 10,000 Cores

    SciTech Connect

    Chen, Yousu; Huang, Zhenyu; Rice, Mark J.

    2012-12-27

    Contingency analysis studies are necessary to assess the impact of possible power system component failures. The results of the contingency analysis are used to ensure the grid reliability, and in power market operation for the feasibility test of market solutions. Currently, these studies are performed in real time based on the current operating conditions of the grid with a set of pre-selected contingency list, which might result in overlooking some critical contingencies caused by variable system status. To have a complete picture of a power grid, more contingencies need to be studied to improve grid reliability. High-performance computing techniques hold the promise of being able to perform the analysis for more contingency cases within a much shorter time frame. This paper evaluates the performance of counter-based dynamic load balancing schemes for a massive contingency analysis program on 10,000+ cores. One million N-2 contingency analysis cases with a Western Electricity Coordinating Council power grid model have been used to demonstrate the performance. The speedup of 3964 with 4096 cores and 7877 with 10240 cores are obtained. This paper reports the performance of the load balancing scheme with a single counter and two counters, describes disk I/O issues, and discusses other potential techniques for further improving the performance.

  1. Dynamic inversion method based on the time-staggered stereo-modeling scheme and its acceleration

    NASA Astrophysics Data System (ADS)

    Jing, Hao; Yang, Dinghui; Wu, Hao

    2016-09-01

    A set of second-order differential equations describing the space-time behavior of derivatives of displacement with respect to model parameters (i.e. waveform sensitivities) is obtained via taking the derivative of the original wave equations. The dynamic inversion method obtains sensitivities of the seismic displacement field with respect to earth properties directly by solving differential equations for them instead of constructing sensitivities from the displacement field itself. In this study, we have taken a new perspective on the dynamic inversion method and used acceleration approaches to reduce the computational time and memory usage to improve its ability of performing high-resolution imaging. The dynamic inversion method, which can simultaneously use different waves and multi-component observation data, is appropriate for directly inverting elastic parameters, medium density or wave velocities. Full wave-field information is utilized as much as possible at the expense of a larger amount of calculations. To mitigate the computational burden, two ways are proposed to accelerate the method from a computer-implementation point of view. One is source encoding which uses a linear combination of all shots, and the other is to reduce the amount of calculations on forward modeling. We applied a new finite difference method to the dynamic inversion to improve the computational accuracy and speed up the performance. Numerical experiments indicated that the new finite difference method can effectively suppress the numerical dispersion caused by the discretization of wave equations, resulting in enhanced computational efficiency with less memory cost for seismic modeling and inversion based on the full wave equations. We present some inversion results to demonstrate the validity of this method through both checkerboard and Marmousi models. It shows that this method is also convergent even with big deviations for the initial model. Besides, parallel calculations can be

  2. Energy landscape scheme for an intuitive understanding of complex domain dynamics in ferroelectric thin films

    PubMed Central

    Heon Kim, Tae; Yoon, Jong-Gul; Hyub Baek, Seung; Park, Woong-kyu; Mo Yang, Sang; Yup Jang, Seung; Min, Taeyuun; Chung, Jin-Seok; Eom, Chang-Beom; Won Noh, Tae

    2015-01-01

    Fundamental understanding of domain dynamics in ferroic materials has been a longstanding issue because of its relevance to many systems and to the design of nanoscale domain-wall devices. Despite many theoretical and experimental studies, a full understanding of domain dynamics still remains incomplete, partly due to complex interactions between domain-walls and disorder. We report domain-shape-preserving deterministic domain-wall motion, which directly confirms microscopic return point memory, by observing domain-wall breathing motion in ferroelectric BiFeO3 thin film using stroboscopic piezoresponse force microscopy. Spatial energy landscape that provides new insights into domain dynamics is also mapped based on the breathing motion of domain walls. The evolution of complex domain structure can be understood by the process of occupying the lowest available energy states of polarization in the energy landscape which is determined by defect-induced internal fields. Our result highlights a pathway for the novel design of ferroelectric domain-wall devices through the engineering of energy landscape using defect-induced internal fields such as flexoelectric fields. PMID:26130159

  3. Inference for optimal dynamic treatment regimes using an adaptive m-out-of-n bootstrap scheme.

    PubMed

    Chakraborty, Bibhas; Laber, Eric B; Zhao, Yingqi

    2013-09-01

    A dynamic treatment regime consists of a set of decision rules that dictate how to individualize treatment to patients based on available treatment and covariate history. A common method for estimating an optimal dynamic treatment regime from data is Q-learning which involves nonsmooth operations of the data. This nonsmoothness causes standard asymptotic approaches for inference like the bootstrap or Taylor series arguments to breakdown if applied without correction. Here, we consider the m-out-of-n bootstrap for constructing confidence intervals for the parameters indexing the optimal dynamic regime. We propose an adaptive choice of m and show that it produces asymptotically correct confidence sets under fixed alternatives. Furthermore, the proposed method has the advantage of being conceptually and computationally much simple than competing methods possessing this same theoretical property. We provide an extensive simulation study to compare the proposed method with currently available inference procedures. The results suggest that the proposed method delivers nominal coverage while being less conservative than alternatives. The proposed methods are implemented in the qLearn R-package and have been made available on the Comprehensive R-Archive Network (http://cran.r-project.org/). Analysis of the Sequenced Treatment Alternatives to Relieve Depression (STAR*D) study is used as an illustrative example.

  4. Dissipative Particle Dynamics Simulations for Phospholipid Membranes Based on a Four-To-One Coarse-Grained Mapping Scheme.

    PubMed

    Li, Xiaoxu; Gao, Lianghui; Fang, Weihai

    2016-01-01

    In this article, a new set of parameters compatible with the dissipative particle dynamics (DPD) force field is developed for phospholipids. The coarse-grained (CG) models of these molecules are constructed by mapping four heavy atoms and their attached hydrogen atoms to one bead. The beads are divided into types distinguished by charge type, polarizability, and hydrogen-bonding capacity. First, we derive the relationship between the DPD repulsive force and Flory-Huggins χ-parameters based on this four-to-one CG mapping scheme. Then, we optimize the DPD force parameters for phospholipids. The feasibility of this model is demonstrated by simulating the structural and thermodynamic properties of lipid bilayer membranes, including the membrane thickness, the area per lipid, the lipid tail orientation, the bending rigidity, the rupture behavior, and the potential of mean force for lipid flip-flop. PMID:27137463

  5. Convergence of a class of semi-implicit time-stepping schemes for nonsmooth rigid multibody dynamics.

    SciTech Connect

    Gavrea, B. I.; Anitescu, M.; Potra, F. A.; Mathematics and Computer Science; Univ. of Pennsylvania; Univ. of Maryland

    2008-01-01

    In this work we present a framework for the convergence analysis in a measure differential inclusion sense of a class of time-stepping schemes for multibody dynamics with contacts, joints, and friction. This class of methods solves one linear complementarity problem per step and contains the semi-implicit Euler method, as well as trapezoidal-like methods for which second-order convergence was recently proved under certain conditions. By using the concept of a reduced friction cone, the analysis includes, for the first time, a convergence result for the case that includes joints. An unexpected intermediary result is that we are able to define a discrete velocity function of bounded variation, although the natural discrete velocity function produced by our algorithm may have unbounded variation.

  6. Dissipative Particle Dynamics Simulations for Phospholipid Membranes Based on a Four-To-One Coarse-Grained Mapping Scheme

    PubMed Central

    Li, Xiaoxu; Gao, Lianghui; Fang, Weihai

    2016-01-01

    In this article, a new set of parameters compatible with the dissipative particle dynamics (DPD) force field is developed for phospholipids. The coarse-grained (CG) models of these molecules are constructed by mapping four heavy atoms and their attached hydrogen atoms to one bead. The beads are divided into types distinguished by charge type, polarizability, and hydrogen-bonding capacity. First, we derive the relationship between the DPD repulsive force and Flory-Huggins χ-parameters based on this four-to-one CG mapping scheme. Then, we optimize the DPD force parameters for phospholipids. The feasibility of this model is demonstrated by simulating the structural and thermodynamic properties of lipid bilayer membranes, including the membrane thickness, the area per lipid, the lipid tail orientation, the bending rigidity, the rupture behavior, and the potential of mean force for lipid flip-flop. PMID:27137463

  7. A Kalman filtering based control scheme for the improvement of dynamic performance of an AC/DC power system

    NASA Astrophysics Data System (ADS)

    Pecen, Recayi

    In this dissertation, two major accomplishments are achieved. First, the feasibility of a proposed Wyoming to California HVDC system having the ratings of 1000 MW, ±500 kV, 2 kA, 860 miles and 12-pulse bipolar lines is shown for exporting Wyoming's electrical power resources to the heavy loaded western states. The second and the main objective of this dissertation is the development of a Kalman filtering (KF) based control scheme applied to an ac/dc power system. It is shown that the use KF algorithm to estimate some of the system states and utilizing them in a proportional Integral (PI) controller which has a better performance for this specific control scheme have resulted in a better dynamic performance of the proposed system. A set of case studies has shown that the system dynamic performance is improved for most of the contingencies. Ac and dc noisy voltage and current measurements received from the simulated ac/dc power system are sent to the KF estimation algorithm. The noise-separated best estimates of measurable states are computed and sent to a PI controller-based current and firing angle control subsections in order to provide a set of optimum thyristor firing angles for both converter stations during and after contingencies until the normal operation is reached. To evaluate the dynamic performance of the system with the KF algorithm, the model is simulated by a well-known digital simulation package, Electromagnetic Transients DC Program (PSCAD/EMTDC) of Manitoba HVDC Research Center. To apply the KF algorithm, a general, linearized, state-space model of the proposed ac/dc system, appropriate for analyzing both the KF and the electromagnetics transients, is derived first. The derived model enables the representation of an ac power system with two ac sources and one HVDC line with a parallel ac line connecting the two systems. It is shown that system eigenvalues of the discretized system model for a normal operating point are inside the unit circle that

  8. Understanding Ion Binding Affinity and Selectivity in β-Parvalbumin Using Molecular Dynamics and Mean Spherical Approximation Theory.

    PubMed

    Kucharski, Amir N; Scott, Caitlin E; Davis, Jonathan P; Kekenes-Huskey, Peter M

    2016-08-25

    Parvalbumin (PV) is a globular calcium (Ca(2+))-selective protein expressed in a variety of biological tissues. Our computational studies of the rat β-parvalbumin (β-PV) isoform seek to elucidate the molecular thermodynamics of Ca(2+) versus magnesium (Mg(2+)) binding at the protein's two EF-hand motifs. Specifically, we have utilized molecular dynamics (MD) simulations and a mean-field electrolyte model (mean spherical approximation (MSA) theory) to delineate how the EF-hand scaffold controls the "local" thermodynamics of Ca(2+) binding selectivity over Mg(2+). Our MD simulations provide the probability density of metal-chelating oxygens within the EF-hand scaffolds for both Ca(2+) and Mg(2+), as well the conformational strain induced by Mg(2+) relative to Ca(2+) binding. MSA theory utilizes the binding domain oxygen and charge distributions to predict the chemical potential of ion binding, as well as their corresponding concentrations within the binding domain. We find that the electrostatic and steric contributions toward ion binding were similar for Mg(2+) and Ca(2+), yet the latter was 5.5 kcal/mol lower in enthalpy when internal strain within the EF hand was considered. We therefore speculate that beyond differences in dehydration energies for the Ca(2+) versus Mg(2+), strain induced in the β-PV EF hand by cation binding significantly contributes to the nearly 10,000-fold difference in binding affinity reported in the literature. We further complemented our analyses of local factors governing cation binding selectivity with whole-protein (global) contributions, such as interhelical residue-residue contacts and solvent exposure of hydrophobic surface. These contributions were found to be comparable for both Ca(2+)- and Mg(2+)-bound β-PV, which may implicate local factors, EF-hand strain, and dehydration, in providing the primary means of selectivity. We anticipate these methods could be used to estimate metal binding thermodynamics across a broad range of

  9. Exploration of a Dynamic Merging Scheme for Precipitation Estimation over a Small Urban Catchment

    NASA Astrophysics Data System (ADS)

    Al-Azerji, Sherien; Rico-Ramirez, Miguel, ,, Dr.; Han, Dawei, ,, Prof.

    2016-04-01

    The accuracy of quantitative precipitation estimation is of significant importance for urban areas due to the potentially damaging consequences that can result from pluvial flooding. Improved accuracy could be accomplished by merging rain gauge measurements with weather radar data through different merging methods. Several factors may affect the accuracy of the merged data, and the gauge density used for merging is one of the most important. However, if there are no gauges inside the research area, then a gauge network outside the research area can be used for the merging. Generally speaking, the denser the rain gauge network is, the better the merging results that can be achieved. However, in practice, the rain gauge network around the research area is fixed, and the research question is about the optimal merging area. The hypothesis is that if the merging area is too small, there are fewer gauges for merging and thus the result would be poor. If the merging area is too large, gauges far away from the research area can be included in merging. However, due to their large distances, those gauges far away from the research area provide little relevant information to the study and may even introduce noise in merging. Therefore, an optimal merging area that produces the best merged rainfall estimation in the research area could exist. To test this hypothesis, the distance from the centre of the research area and the number of merging gauges around the research area were gradually increased and merging with a new domain of radar data was then performed. The performance of the new merging scheme was compared with a gridded interpolated rainfall from four experimental rain gauges installed inside the research area for validation. The result of this analysis shows that there is indeed an optimum distance from the centre of research area and consequently an optimum number of rain gauges that produce the best merged rainfall data inside the research area. This study is of

  10. Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities.

    PubMed

    Andrade, Xavier; Botti, Silvana; Marques, Miguel A L; Rubio, Angel

    2007-05-14

    The authors present an efficient perturbative method to obtain both static and dynamic polarizabilities and hyperpolarizabilities of complex electronic systems. This approach is based on the solution of a frequency-dependent Sternheimer equation, within the formalism of time-dependent density functional theory, and allows the calculation of the response both in resonance and out of resonance. Furthermore, the excellent scaling with the number of atoms opens the way to the investigation of response properties of very large molecular systems. To demonstrate the capabilities of this method, they implemented it in a real-space (basis-set-free) code and applied it to benchmark molecules, namely, CO, H2O, and para-nitroaniline. Their results are in agreement with experimental and previous theoretical studies and fully validate their approach. PMID:17508791

  11. Compact internal representation as a protocognitive scheme for robots in dynamic environments

    NASA Astrophysics Data System (ADS)

    Villacorta-Atienza, Jose A.; Salas, Luis; Alba, Luis; Velarde, Manuel G.; Makarov, Valeri A.

    2011-05-01

    Animals for surviving have developed cognitive abilities allowing them an abstract representation of the environment. This Internal Representation (IR) could contain a huge amount of information concerning the evolution and interactions of the elements in their surroundings. The complexity of this information should be enough to ensure the maximum fidelity in the representation of those aspects of the environment critical for the agent, but not so high to prevent the management of the IR in terms of neural processes, i.e. storing, retrieving, etc. One of the most subtle points is the inclusion of temporal information, necessary in IRs of dynamic environments. This temporal information basically introduces the environmental information for each moment, so the information required to generate the IR would eventually be increased dramatically. The inclusion of this temporal information in biological neural processes remains an open question. In this work we propose a new IR, the Compact Internal Representation (CIR), based on the compaction of spatiotemporal information into only space, leading to a stable structure (with no temporal dimension) suitable to be the base for complex cognitive processes, as memory or learning. The Compact Internal Representation is especially appropriate for be implemented in autonomous robots because it provides global strategies for the interaction with real environments (roving robots, manipulators, etc.). This paper presents the mathematical basis of CIR hardware implementation in the context of navigation in dynamic environments. The aim of such implementation is the obtaining of free-collision trajectories under the requirements of an optimal performance by means of a fast and accurate process.

  12. The greening of the McGill Paleoclimate Model. Part I: Improved land surface scheme with vegetation dynamics

    NASA Astrophysics Data System (ADS)

    Wang, Yi; Mysak, Lawrence A.; Wang, Zhaomin; Brovkin, Victor

    2005-04-01

    The formulation of a new land surface scheme (LSS) with vegetation dynamics for coupling to the McGill Paleoclimate Model (MPM) is presented. This LSS has the following notable improvements over the old version: (1) parameterization of deciduous and evergreen trees by using the model's climatology and the output of the dynamic global vegetation model, VECODE (Brovkin et al. in Ecological Modelling 101:251-261 (1997), Global Biogeochemical Cycles 16(4):1139, (2002)); (2) parameterization of tree leaf budburst and leaf drop by using the model's climatology; (3) parameterization of the seasonal cycle of the grass leaf area index; (4) parameterization of the seasonal cycle of tree leaf area index by using the time-dependent growth of the leaves; (5) calculation of land surface albedo by using vegetation-related parameters, snow depth and the model's climatology. The results show considerable improvement of the model's simulation of the present-day climate as compared with that simulated in the original physically-based MPM. In particular, the strong seasonality of terrestrial vegetation and the associated land surface albedo variations are in good agreement with several satellite observations of these quantities. The application of this new version of the MPM (the "green" MPM) to Holocene millennial-scale climate changes is described in a companion paper, Part II.

  13. Extended application of Kohn-Sham first-principles molecular dynamics method with plane wave approximation at high energy—From cold materials to hot dense plasmas

    NASA Astrophysics Data System (ADS)

    Zhang, Shen; Wang, Hongwei; Kang, Wei; Zhang, Ping; He, X. T.

    2016-04-01

    An extended first-principles molecular dynamics (FPMD) method based on Kohn-Sham scheme is proposed to elevate the temperature limit of the FPMD method in the calculation of dense plasmas. The extended method treats the wave functions of high energy electrons as plane waves analytically and thus expands the application of the FPMD method to the region of hot dense plasmas without suffering from the formidable computational costs. In addition, the extended method inherits the high accuracy of the Kohn-Sham scheme and keeps the information of electronic structures. This gives an edge to the extended method in the calculation of mixtures of plasmas composed of heterogeneous ions, high-Z dense plasmas, lowering of ionization potentials, X-ray absorption/emission spectra, and opacities, which are of particular interest to astrophysics, inertial confinement fusion engineering, and laboratory astrophysics.

  14. Time-optimal path planning in dynamic flows using level set equations: theory and schemes

    NASA Astrophysics Data System (ADS)

    Lolla, Tapovan; Lermusiaux, Pierre F. J.; Ueckermann, Mattheus P.; Haley, Patrick J.

    2014-10-01

    We develop an accurate partial differential equation-based methodology that predicts the time-optimal paths of autonomous vehicles navigating in any continuous, strong, and dynamic ocean currents, obviating the need for heuristics. The goal is to predict a sequence of steering directions so that vehicles can best utilize or avoid currents to minimize their travel time. Inspired by the level set method, we derive and demonstrate that a modified level set equation governs the time-optimal path in any continuous flow. We show that our algorithm is computationally efficient and apply it to a number of experiments. First, we validate our approach through a simple benchmark application in a Rankine vortex flow for which an analytical solution is available. Next, we apply our methodology to more complex, simulated flow fields such as unsteady double-gyre flows driven by wind stress and flows behind a circular island. These examples show that time-optimal paths for multiple vehicles can be planned even in the presence of complex flows in domains with obstacles. Finally, we present and support through illustrations several remarks that describe specific features of our methodology.

  15. Time-optimal path planning in dynamic flows using level set equations: theory and schemes

    NASA Astrophysics Data System (ADS)

    Lolla, Tapovan; Lermusiaux, Pierre F. J.; Ueckermann, Mattheus P.; Haley, Patrick J.

    2014-09-01

    We develop an accurate partial differential equation-based methodology that predicts the time-optimal paths of autonomous vehicles navigating in any continuous, strong, and dynamic ocean currents, obviating the need for heuristics. The goal is to predict a sequence of steering directions so that vehicles can best utilize or avoid currents to minimize their travel time. Inspired by the level set method, we derive and demonstrate that a modified level set equation governs the time-optimal path in any continuous flow. We show that our algorithm is computationally efficient and apply it to a number of experiments. First, we validate our approach through a simple benchmark application in a Rankine vortex flow for which an analytical solution is available. Next, we apply our methodology to more complex, simulated flow fields such as unsteady double-gyre flows driven by wind stress and flows behind a circular island. These examples show that time-optimal paths for multiple vehicles can be planned even in the presence of complex flows in domains with obstacles. Finally, we present and support through illustrations several remarks that describe specific features of our methodology.

  16. Implicit flux-split Euler schemes for unsteady aerodynamic analysis involving unstructured dynamic meshes

    NASA Technical Reports Server (NTRS)

    Batina, John T.

    1990-01-01

    Improved algorithms for the solution of the time-dependent Euler equations are presented for unsteady aerodynamic analysis involving unstructured dynamic meshes. The improvements have been developed recently to the spatial and temporal discretizations used by unstructured grid flow solvers. The spatial discretization involves a flux-split approach which is naturally dissipative and captures shock waves sharply with at most one grid point within the shock structure. The temporal discretization involves an implicit time-integration shceme using a Gauss-Seidel relaxation procedure which is computationally efficient for either steady or unsteady flow problems. For example, very large time steps may be used for rapid convergence to steady state, and the step size for unsteady cases may be selected for temporal accuracy rather than for numerical stability. Steady and unsteady flow results are presented for the NACA 0012 airfoil to demonstrate applications of the new Euler solvers. The unsteady results were obtained for the airfoil pitching harmonically about the quarter chord. The resulting instantaneous pressure distributions and lift and moment coefficients during a cycle of motion compare well with experimental data. The paper presents a description of the Euler solvers along with results and comparisons which assess the capability.

  17. Frameworks, Schemes and Hierarchies for Reducing Uncertainties in Estimation of Carbon Dynamics in Tree-Grass Systems

    NASA Astrophysics Data System (ADS)

    Hill, M. J.; Hanan, N. P.

    2007-12-01

    -angle optical. The limitations of in situ data for calibration and validation and the need to link process and pattern dynamically through time and across scales suggest that combinations of modelling approaches and data sources will be needed to significantly reduce uncertainties. Process models may be enhanced by specific biochemical and structural remote sensing retrievals. Physical energy and water balance models may be aided by time series of temperature, soil moisture, rainfall and atmospheric data retrieved by remote sensing. Land use change modeling relies upon remotely sensed definition of land cover change and combination with ancillary data to define land use. Model-data assimilation and inverse methods require prior information on surface states and fluxes that may be available from remote sensing products. Models describing savanna carbon dynamics as one biome among many global biomes, often neglect key processes relevant to savannas, including the impacts of fire, herbivory and shifting agriculture on carbon. In modeling the global savanna biome there is a pressing need for new frameworks, schemes and hierarchies that link the diverse approaches with key processes and mechanisms that are unique to tree-grass systems and that combine energy and water balance dynamics, the physiological and population dynamics of vegetation communities, and the spatially explicit patch dynamics of human disturbance.

  18. Novel Field Effect Diode Type Vertical Capacitorless One Transistor Dynamic Random Access Memory Cell with Negative Hold Bit Line Bias Scheme for Improving the Hold Characteristics

    NASA Astrophysics Data System (ADS)

    Imamoto, Takuya; Endoh, Tetsuo

    2013-04-01

    In this paper, the novel field effect diode (FED) type vertical capacitorless one transistor dynamic random access memory (1T-DRAM) cell with negative hold bit line (BL) voltage (VBL) scheme is proposed. In comparison with the conventional planar type, the proposed vertical type with negative hold VBL scheme shows excellent static and disturb retention time. The proposed vertical type memory cell with negative hold VBL scheme achieves 1,000 times longer static retention time and 104 times longer BL disturb retention time at 85 °C than that of the conventional planar type. Furthermore, the proposed vertical type memory cell has a small cell size of 4F2 due to its stacked vertical structure. The proposed FED type vertical capacitorless 1T-DRAM cell with negative hold VBL scheme is shown to be an excellent candidate for stand-alone and embedded memory applications and extends scaling limitations.

  19. Developing a computationally efficient dynamic multilevel hybrid optimization scheme using multifidelity model interactions.

    SciTech Connect

    Hough, Patricia Diane (Sandia National Laboratories, Livermore, CA); Gray, Genetha Anne (Sandia National Laboratories, Livermore, CA); Castro, Joseph Pete Jr.; Giunta, Anthony Andrew

    2006-01-01

    Many engineering application problems use optimization algorithms in conjunction with numerical simulators to search for solutions. The formulation of relevant objective functions and constraints dictate possible optimization algorithms. Often, a gradient based approach is not possible since objective functions and constraints can be nonlinear, nonconvex, non-differentiable, or even discontinuous and the simulations involved can be computationally expensive. Moreover, computational efficiency and accuracy are desirable and also influence the choice of solution method. With the advent and increasing availability of massively parallel computers, computational speed has increased tremendously. Unfortunately, the numerical and model complexities of many problems still demand significant computational resources. Moreover, in optimization, these expenses can be a limiting factor since obtaining solutions often requires the completion of numerous computationally intensive simulations. Therefore, we propose a multifidelity optimization algorithm (MFO) designed to improve the computational efficiency of an optimization method for a wide range of applications. In developing the MFO algorithm, we take advantage of the interactions between multi fidelity models to develop a dynamic and computational time saving optimization algorithm. First, a direct search method is applied to the high fidelity model over a reduced design space. In conjunction with this search, a specialized oracle is employed to map the design space of this high fidelity model to that of a computationally cheaper low fidelity model using space mapping techniques. Then, in the low fidelity space, an optimum is obtained using gradient or non-gradient based optimization, and it is mapped back to the high fidelity space. In this paper, we describe the theory and implementation details of our MFO algorithm. We also demonstrate our MFO method on some example problems and on two applications: earth penetrators and

  20. A minimalistic approach to static and dynamic electron correlations: Amending generalized valence bond method with extended random phase approximation correlation correction.

    PubMed

    Chatterjee, Koushik; Pastorczak, Ewa; Jawulski, Konrad; Pernal, Katarzyna

    2016-06-28

    A perfect-pairing generalized valence bond (GVB) approximation is known to be one of the simplest approximations, which allows one to capture the essence of static correlation in molecular systems. In spite of its attractive feature of being relatively computationally efficient, this approximation misses a large portion of dynamic correlation and does not offer sufficient accuracy to be generally useful for studying electronic structure of molecules. We propose to correct the GVB model and alleviate some of its deficiencies by amending it with the correlation energy correction derived from the recently formulated extended random phase approximation (ERPA). On the examples of systems of diverse electronic structures, we show that the resulting ERPA-GVB method greatly improves upon the GVB model. ERPA-GVB recovers most of the electron correlation and it yields energy barrier heights of excellent accuracy. Thanks to a balanced treatment of static and dynamic correlation, ERPA-GVB stays reliable when one moves from systems dominated by dynamic electron correlation to those for which the static correlation comes into play. PMID:27369501

  1. Convergence of the standard RLS method and UDUT factorisation of covariance matrix for solving the algebraic Riccati equation of the DLQR via heuristic approximate dynamic programming

    NASA Astrophysics Data System (ADS)

    Moraes Rêgo, Patrícia Helena; Viana da Fonseca Neto, João; Ferreira, Ernesto M.

    2015-08-01

    The main focus of this article is to present a proposal to solve, via UDUT factorisation, the convergence and numerical stability problems that are related to the covariance matrix ill-conditioning of the recursive least squares (RLS) approach for online approximations of the algebraic Riccati equation (ARE) solution associated with the discrete linear quadratic regulator (DLQR) problem formulated in the actor-critic reinforcement learning and approximate dynamic programming context. The parameterisations of the Bellman equation, utility function and dynamic system as well as the algebra of Kronecker product assemble a framework for the solution of the DLQR problem. The condition number and the positivity parameter of the covariance matrix are associated with statistical metrics for evaluating the approximation performance of the ARE solution via RLS-based estimators. The performance of RLS approximators is also evaluated in terms of consistence and polarisation when associated with reinforcement learning methods. The used methodology contemplates realisations of online designs for DLQR controllers that is evaluated in a multivariable dynamic system model.

  2. Criterion for applicability of a linear approximation in problems on the development of small perturbations in gas dynamics

    SciTech Connect

    Meshkov, E.E.; Mokhov, V.N.

    1983-01-01

    Stability problems and the development of small perturbations in gasdynamics are ordinarily investigated by using the solution of linearized equations. The applicability of the linear approximation is usually determined by the smallness of the perturbation. However, a linear approximation turns out to be false in a number of cases. The authors consider a plane problem in which a characteristic surface curved along a sinusoid moves over a substance at a constant velocity. In this case, the change in surface shape with time is determined by the Huygens principle. Also considered is the one-dimensional flow of an ideal gas with adiabatic index ..nu.. in which there is a small sinusoidal perturbation at the initial time. These examples are encountered locally in the majority of problems on flow stability in gasdynamics. It is shown that the shape of the reflected wave front deviates from the sinusoidal with time and the formation of singularities and the deviation from the sinusoidal shape slow down as the amplitude of the initial perturbation diminishes. The authors conclude that utilization of a linearized approximation to solve the gasdynamics equations is possible only up to a certain time. Consequently, application of asymptotic formulas obtained on the basis of a linear approximation for a finite magnitude of the perbation requires an additional foundation.

  3. Entropy stable schemes for initial-boundary-value conservation laws

    NASA Astrophysics Data System (ADS)

    Svärd, Magnus; Mishra, Siddhartha

    2012-12-01

    We consider initial-boundary-value problems for systems of conservation laws and design entropy stable finite difference schemes to approximate them. The schemes are shown to be entropy stable for a large class of systems that are equipped with a symmetric splitting, derived from the entropy formulation. Numerical examples for the Euler equations of gas dynamics are presented to illustrate the robust performance of the proposed method.

  4. Rational molecular dynamics scheme for predicting optimum concentration loading of nano-additive in phase change materials

    NASA Astrophysics Data System (ADS)

    Rastogi, Monisha; Vaish, Rahul; Madhar, Niyaz Ahamad; Shaikh, Hamid; Al-Zahrani, S. M.

    2015-10-01

    The present study deals with the diffusion and phase transition behaviour of paraffin reinforced with carbon nano-additives namely graphene oxide (GO) and surface functionalized single walled carbon nanotubes (SWCNT). Bulk disordered systems of paraffin hydrocarbons impregnated with carbon nano-additives have been generated in realistic equilibrium conformations for potential application as latent heat storage systems. Ab initio molecular dynamics(MD) in conjugation with COMPASS forcefield has been implemented using periodic boundary conditions. The proposed scheme allows determination of optimum nano-additive loading for improving thermo-physical properties through analysis of mass, thermal and transport properties; and assists in determination of composite behaviour and related performance from microscopic point of view. It was observed that nanocomposites containing 7.8 % surface functionalised SWCNT and 55% GO loading corresponds to best latent heat storage system. The propounded methodology could serve as a by-pass route for economically taxing and iterative experimental procedures required to attain the optimum composition for best performance. The results also hint at the large unexplored potential of ab-initio classical MD techniques for predicting performance of new nanocomposites for potential phase change material applications.

  5. Dynamic MTF improvement scheme and its validation for CCD operating in TDI mode for Earth imaging applications

    NASA Astrophysics Data System (ADS)

    Dubey, Neeraj; Banerjee, Arup

    2016-05-01

    The paper presents the scheme for improving the image contrast in the remote sensing images and highlights the novelty in hardware & software design in the test system developed for measuring image contrast function. Modulation transfer function (MTF) is the most critical quality element of the high-resolution imaging payloads for earth observation consisting of TDI-CCD (Time Delayed Integration Charge Coupled Device) image. From the mathematical model for MTF Smear MTF of 65% (35% degradation) is observed. Then a operating method for TDI-CCD is developed, using which 96% of Motion Smear MTF will occur within the imaging operation. As a major part of the validation, indigenously designed and developed a test system for measuring the dynamic MTF of TDI Sensors which consists of the optical scanning system, TDI-CCD camera drive & video processing electronics, thermal control system and telecentric uniform illumination system. The experimental results confirm that image quality improvement can be achieved by this method. This method is now implemented in the flight model hardware of the remote sensing payload.

  6. Dynamically coupling the non-linear Stokes equations with the shallow ice approximation in glaciology: Description and first applications of the ISCAL method

    NASA Astrophysics Data System (ADS)

    Ahlkrona, Josefin; Lötstedt, Per; Kirchner, Nina; Zwinger, Thomas

    2016-03-01

    We propose and implement a new method, called the Ice Sheet Coupled Approximation Levels (ISCAL) method, for simulation of ice sheet flow in large domains during long time-intervals. The method couples the full Stokes (FS) equations with the Shallow Ice Approximation (SIA). The part of the domain where SIA is applied is determined automatically and dynamically based on estimates of the modeling error. For a three dimensional model problem, ISCAL computes the solution substantially faster with a low reduction in accuracy compared to a monolithic FS. Furthermore, ISCAL is shown to be able to detect rapid dynamic changes in the flow. Three different error estimations are applied and compared. Finally, ISCAL is applied to the Greenland Ice Sheet on a quasi-uniform grid, proving ISCAL to be a potential valuable tool for the ice sheet modeling community.

  7. Diverse Eruptions at Approximately 2,200 Years B.P. on the Great Rift, Idaho: Inferences for Magma Dynamics Along Volcanic Rift Zones

    NASA Technical Reports Server (NTRS)

    Hughes, S. S.; Nawotniak, S. E. Kobs; Borg, C.; Mallonee, H. C.; Purcell, S.; Neish, C.; Garry, W. B.; Haberle, C. W.; Lim, D. S. S.; Heldmann, J. L.

    2016-01-01

    Compositionally and morphologically diverse lava flows erupted on the Great Rift of Idaho approximately 2.2 ka (kilo-annum, 1000 years ago) during a volcanic "flare-up" of activity following an approximately 2 ky (kiloyear, 1000 years) hiatus in eruptions. Volcanism at Craters of the Moon (COTM), Wapi and Kings Bowl lava fields around this time included primitive and evolved compositions, separated over 75 kilometers along the approximately 85 kilometers-long rift, with striking variability in lava flow emplacement mechanisms and surface morphologies. Although the temporal associations may be coincidental, the system provides a planetary analog to better understand magma dynamics along rift systems, including that associated with lunar floor-fractured craters. This study aims to help bridge the knowledge gap between ancient rift volcanism evident on the Moon and other terrestrial planets, and active rift volcanism, e.g., at Hawai'i and Iceland.

  8. Application of TVD schemes for the Euler equations of gas dynamics. [total variation diminishing for nonlinear hyperbolic systems

    NASA Technical Reports Server (NTRS)

    Yee, H. C.; Warming, R. F.; Harten, A.

    1985-01-01

    First-order, second-order, and implicit total variation diminishing (TVD) schemes are reviewed using the modified flux approach. Some transient and steady-state calculations are then carried out to illustrate the applicability of these schemes to the Euler equations. It is shown that the second-order explicit TVD schemes generate good shock resolution for both transient and steady-state one-dimensional and two-dimensional problems. Numerical experiments for a quasi-one-dimensional nozzle problem show that the second-order implicit TVD scheme produces a fairly rapid convergence rate and remains stable even when running with a Courant number of 10 to the 6th.

  9. Optimal approximation of harmonic growth clusters by orthogonal polynomials

    SciTech Connect

    Teodorescu, Razvan

    2008-01-01

    Interface dynamics in two-dimensional systems with a maximal number of conservation laws gives an accurate theoreticaI model for many physical processes, from the hydrodynamics of immiscible, viscous flows (zero surface-tension limit of Hele-Shaw flows), to the granular dynamics of hard spheres, and even diffusion-limited aggregation. Although a complete solution for the continuum case exists, efficient approximations of the boundary evolution are very useful due to their practical applications. In this article, the approximation scheme based on orthogonal polynomials with a deformed Gaussian kernel is discussed, as well as relations to potential theory.

  10. Methodology for sensitivity analysis, approximate analysis, and design optimization in CFD for multidisciplinary applications. [computational fluid dynamics

    NASA Technical Reports Server (NTRS)

    Taylor, Arthur C., III; Hou, Gene W.

    1992-01-01

    Fundamental equations of aerodynamic sensitivity analysis and approximate analysis for the two dimensional thin layer Navier-Stokes equations are reviewed, and special boundary condition considerations necessary to apply these equations to isolated lifting airfoils on 'C' and 'O' meshes are discussed in detail. An efficient strategy which is based on the finite element method and an elastic membrane representation of the computational domain is successfully tested, which circumvents the costly 'brute force' method of obtaining grid sensitivity derivatives, and is also useful in mesh regeneration. The issue of turbulence modeling is addressed in a preliminary study. Aerodynamic shape sensitivity derivatives are efficiently calculated, and their accuracy is validated on two viscous test problems, including: (1) internal flow through a double throat nozzle, and (2) external flow over a NACA 4-digit airfoil. An automated aerodynamic design optimization strategy is outlined which includes the use of a design optimization program, an aerodynamic flow analysis code, an aerodynamic sensitivity and approximate analysis code, and a mesh regeneration and grid sensitivity analysis code. Application of the optimization methodology to the two test problems in each case resulted in a new design having a significantly improved performance in the aerodynamic response of interest.

  11. Dynamic knee stability estimated by finite helical axis methods during functional performance approximately twenty years after anterior cruciate ligament injury.

    PubMed

    Grip, Helena; Tengman, Eva; Häger, Charlotte K

    2015-07-16

    Finite helical axis (FHA) measures of the knee joint during weight-bearing tasks may capture dynamic knee stability following Anterior Cruciate Ligament (ACL) injury. The aim was to investigate dynamic knee stability during two-leg squat (TLS) and one-leg side hop (SH) in a long-term follow-up of ACL injury, and to examine correlations with knee laxity (KT-1000), osteoarthritis (OA, Kellgren-Lawrence) and knee function (Lysholm score). Participants were injured 17-28 years ago and then treated with surgery (n=33, ACLR) or physiotherapy only (n=37, ACLPT) and healthy-knee controls (n=33) were tested. Movements were registered with an optical motion capture system. We computed three FHA inclination angles, its' Anterior-Posterior (A-P) position, and an index quantifying directional changes (DI), during stepwise knee flexion intervals of ∼15°. Injured knees were less stable compared to healthy controls' and to contralateral non-injured knees, regardless of treatment: the A-P intersection was more anterior (indicating a more anterior positioning of tibia relative to femur) positively correlating with high laxity/low knee function, and during SH, the FHA was more inclined relative to the flexion-extension axis, possibly due to reduced rotational stability. During the TLS, A-P intersection was more anterior in the non-injured knee than the injured, and DI was higher, probably related to higher load on the non-injured knee. ACLR had less anterior A-P intersection than ACLPT, suggesting that surgery enhanced stability, although rotational stability may remain reduced. More anterior A-P intersection and greater inclination between the FHA and the knee flexion-extension axis best revealed reduced dynamic stability ∼23 years post-injury.

  12. Scale-free memory model for multiagent reinforcement learning. Mean field approximation and rock-paper-scissors dynamics

    NASA Astrophysics Data System (ADS)

    Lubashevsky, I.; Kanemoto, S.

    2010-07-01

    A continuous time model for multiagent systems governed by reinforcement learning with scale-free memory is developed. The agents are assumed to act independently of one another in optimizing their choice of possible actions via trial-and-error search. To gain awareness about the action value the agents accumulate in their memory the rewards obtained from taking a specific action at each moment of time. The contribution of the rewards in the past to the agent current perception of action value is described by an integral operator with a power-law kernel. Finally a fractional differential equation governing the system dynamics is obtained. The agents are considered to interact with one another implicitly via the reward of one agent depending on the choice of the other agents. The pairwise interaction model is adopted to describe this effect. As a specific example of systems with non-transitive interactions, a two agent and three agent systems of the rock-paper-scissors type are analyzed in detail, including the stability analysis and numerical simulation. Scale-free memory is demonstrated to cause complex dynamics of the systems at hand. In particular, it is shown that there can be simultaneously two modes of the system instability undergoing subcritical and supercritical bifurcation, with the latter one exhibiting anomalous oscillations with the amplitude and period growing with time. Besides, the instability onset via this supercritical mode may be regarded as “altruism self-organization”. For the three agent system the instability dynamics is found to be rather irregular and can be composed of alternate fragments of oscillations different in their properties.

  13. Dynamic knee stability estimated by finite helical axis methods during functional performance approximately twenty years after anterior cruciate ligament injury.

    PubMed

    Grip, Helena; Tengman, Eva; Häger, Charlotte K

    2015-07-16

    Finite helical axis (FHA) measures of the knee joint during weight-bearing tasks may capture dynamic knee stability following Anterior Cruciate Ligament (ACL) injury. The aim was to investigate dynamic knee stability during two-leg squat (TLS) and one-leg side hop (SH) in a long-term follow-up of ACL injury, and to examine correlations with knee laxity (KT-1000), osteoarthritis (OA, Kellgren-Lawrence) and knee function (Lysholm score). Participants were injured 17-28 years ago and then treated with surgery (n=33, ACLR) or physiotherapy only (n=37, ACLPT) and healthy-knee controls (n=33) were tested. Movements were registered with an optical motion capture system. We computed three FHA inclination angles, its' Anterior-Posterior (A-P) position, and an index quantifying directional changes (DI), during stepwise knee flexion intervals of ∼15°. Injured knees were less stable compared to healthy controls' and to contralateral non-injured knees, regardless of treatment: the A-P intersection was more anterior (indicating a more anterior positioning of tibia relative to femur) positively correlating with high laxity/low knee function, and during SH, the FHA was more inclined relative to the flexion-extension axis, possibly due to reduced rotational stability. During the TLS, A-P intersection was more anterior in the non-injured knee than the injured, and DI was higher, probably related to higher load on the non-injured knee. ACLR had less anterior A-P intersection than ACLPT, suggesting that surgery enhanced stability, although rotational stability may remain reduced. More anterior A-P intersection and greater inclination between the FHA and the knee flexion-extension axis best revealed reduced dynamic stability ∼23 years post-injury. PMID:25935685

  14. Using the discrete dipole approximation and holographic microscopy to measure rotational dynamics of non-spherical colloidal particles

    NASA Astrophysics Data System (ADS)

    Wang, Anna; Dimiduk, Thomas G.; Fung, Jerome; Razavi, Sepideh; Kretzschmar, Ilona; Chaudhary, Kundan; Manoharan, Vinothan N.

    2014-10-01

    We present a new, high-speed technique to track the three-dimensional translation and rotation of non-spherical colloidal particles. We capture digital holograms of micrometer-scale silica rods and sub-micrometer-scale Janus particles freely diffusing in water, and then fit numerical scattering models based on the discrete dipole approximation to the measured holograms. This inverse-scattering approach allows us to extract the position and orientation of the particles as a function of time, along with static parameters including the size, shape, and refractive index. The best-fit sizes and refractive indices of both particles agree well with expected values. The technique is able to track the center of mass of the rod to a precision of 35 nm and its orientation to a precision of 1.5°, comparable to or better than the precision of other 3D diffusion measurements on non-spherical particles. Furthermore, the measured translational and rotational diffusion coefficients for the silica rods agree with hydrodynamic predictions for a spherocylinder to within 0.3%. We also show that although the Janus particles have only weak optical asymmetry, the technique can track their 2D translation and azimuthal rotation over a depth of field of several micrometers, yielding independent measurements of the effective hydrodynamic radius that agree to within 0.2%. The internal and external consistency of these measurements validate the technique. Because the discrete dipole approximation can model scattering from arbitrarily shaped particles, our technique could be used in a range of applications, including particle tracking, microrheology, and fundamental studies of colloidal self-assembly or microbial motion.

  15. Effective Estimation of Dynamic Metabolic Fluxes Using 13C Labeling and Piecewise Affine Approximation: From Theory to Practical Applicability

    PubMed Central

    Schumacher, Robin; Wahl, S. Aljoscha

    2015-01-01

    The design of microbial production processes relies on rational choices for metabolic engineering of the production host and the process conditions. These require a systematic and quantitative understanding of cellular regulation. Therefore, a novel method for dynamic flux identification using quantitative metabolomics and 13C labeling to identify piecewise-affine (PWA) flux functions has been described recently. Obtaining flux estimates nevertheless still required frequent manual reinitalization to obtain a good reproduction of the experimental data and, moreover, did not optimize on all observables simultaneously (metabolites and isotopomer concentrations). In our contribution we focus on measures to achieve faster and robust dynamic flux estimation which leads to a high dimensional parameter estimation problem. Specifically, we address the following challenges within the PWA problem formulation: (1) Fast selection of sufficient domains for the PWA flux functions, (2) Control of over-fitting in the concentration space using shape-prescriptive modeling and (3) robust and efficient implementation of the parameter estimation using the hybrid implicit filtering algorithm. With the improvements we significantly speed up the convergence by efficiently exploiting that the optimization problem is partly linear. This allows application to larger-scale metabolic networks and demonstrates that the proposed approach is not purely theoretical, but also applicable in practice. PMID:26690237

  16. High resolution TVD schemes using flux limiters. [method of Total Variation Diminishing for rarefied gas dynamics calculations

    NASA Technical Reports Server (NTRS)

    Sweby, P. K.

    1985-01-01

    Roe (1981, 1985) has utilized flux limiters to obtain second order monotonicity preserving schemes. In the present paper, the foundation for flux limiters in the formulation of first order three-point schemes are discussed, and a systematic outline is provided of the method of using flux limiters to obtain second order accurate TVD schemes. Attention is given to Phi limiters, the Van Leer limiter, the Chakravarthy-Osher limiter, the linear advection equation and square wave data, the inviscid Burger's equation, and the extension of flux limiters to irregular grids, systems of equations, and implicit calculations.

  17. Construction of explicit and implicit symmetric TVD schemes and their applications. [Total Variation Diminishing for fluid dynamics computation

    NASA Technical Reports Server (NTRS)

    Yee, H. C.

    1987-01-01

    A one-parameter family of explicit and implicit total variation diminishing (TVD) schemes is developed which permits incorporation of an expanded group of slope and flux limiters. The numerical technique is intended for use in calculations which include a time-differencing scheme and an optional Lax-Wendroff scheme. Methods of extending the TVD models to nonlinear scalar equations and systems of hyperbolic conservation equations are described. Sample results are presented from calculations of shocked flows around NACA 0012 and NACA 0018 airfoils.

  18. Wavelet Approximation in Data Assimilation

    NASA Technical Reports Server (NTRS)

    Tangborn, Andrew; Atlas, Robert (Technical Monitor)

    2002-01-01

    Estimation of the state of the atmosphere with the Kalman filter remains a distant goal because of high computational cost of evolving the error covariance for both linear and nonlinear systems. Wavelet approximation is presented here as a possible solution that efficiently compresses both global and local covariance information. We demonstrate the compression characteristics on the the error correlation field from a global two-dimensional chemical constituent assimilation, and implement an adaptive wavelet approximation scheme on the assimilation of the one-dimensional Burger's equation. In the former problem, we show that 99%, of the error correlation can be represented by just 3% of the wavelet coefficients, with good representation of localized features. In the Burger's equation assimilation, the discrete linearized equations (tangent linear model) and analysis covariance are projected onto a wavelet basis and truncated to just 6%, of the coefficients. A nearly optimal forecast is achieved and we show that errors due to truncation of the dynamics are no greater than the errors due to covariance truncation.

  19. Dynamic design, numerical solution and effective verification of acceleration-level obstacle-avoidance scheme for robot manipulators

    NASA Astrophysics Data System (ADS)

    Xiao, Lin; Zhang, Yunong

    2016-03-01

    For avoiding obstacles and joint physical constraints of robot manipulators, this paper proposes and investigates a novel obstacle avoidance scheme (termed the acceleration-level obstacle-avoidance scheme). The scheme is based on a new obstacle-avoidance criterion that is designed by using the gradient neural network approach for the first time. In addition, joint physical constraints such as joint-angle limits, joint-velocity limits and joint-acceleration limits are incorporated into such a scheme, which is further reformulated as a quadratic programming (QP). Two important 'bridge' theorems are established so that such a QP can be converted equivalently to a linear variational inequality and then equivalently to a piecewise-linear projection equation (PLPE). A numerical algorithm based on a PLPE is thus developed and applied for an online solution of the resultant QP. Four path-tracking tasks based on the PA10 robot in the presence of point and window-shaped obstacles demonstrate and verify the effectiveness and accuracy of the acceleration-level obstacle-avoidance scheme. Besides, the comparisons between the non-obstacle-avoidance and obstacle-avoidance results further validate the superiority of the proposed scheme.

  20. Approximate optimal guidance for the advanced launch system

    NASA Technical Reports Server (NTRS)

    Feeley, T. S.; Speyer, J. L.

    1993-01-01

    A real-time guidance scheme for the problem of maximizing the payload into orbit subject to the equations of motion for a rocket over a spherical, non-rotating earth is presented. An approximate optimal launch guidance law is developed based upon an asymptotic expansion of the Hamilton - Jacobi - Bellman or dynamic programming equation. The expansion is performed in terms of a small parameter, which is used to separate the dynamics of the problem into primary and perturbation dynamics. For the zeroth-order problem the small parameter is set to zero and a closed-form solution to the zeroth-order expansion term of Hamilton - Jacobi - Bellman equation is obtained. Higher-order terms of the expansion include the effects of the neglected perturbation dynamics. These higher-order terms are determined from the solution of first-order linear partial differential equations requiring only the evaluation of quadratures. This technique is preferred as a real-time, on-line guidance scheme to alternative numerical iterative optimization schemes because of the unreliable convergence properties of these iterative guidance schemes and because the quadratures needed for the approximate optimal guidance law can be performed rapidly and by parallel processing. Even if the approximate solution is not nearly optimal, when using this technique the zeroth-order solution always provides a path which satisfies the terminal constraints. Results for two-degree-of-freedom simulations are presented for the simplified problem of flight in the equatorial plane and compared to the guidance scheme generated by the shooting method which is an iterative second-order technique.

  1. An approximately Bayesian delta-rule model explains the dynamics of belief updating in a changing environment

    PubMed Central

    Nassar, Matthew R.; Wilson, Robert C.; Heasly, Benjamin; Gold, Joshua I.

    2010-01-01

    Maintaining appropriate beliefs about variables needed for effective decision-making can be difficult in a dynamic environment. One key issue is the amount of influence that unexpected outcomes should have on existing beliefs. In general, outcomes that are unexpected because of a fundamental change in the environment should carry more influence than outcomes that are unexpected because of persistent environmental stochasticity. Here we use a novel task to characterize how well human subjects follow these principles under a range of conditions. We show that the influence of an outcome depends on both the error made in predicting that outcome and the number of similar outcomes experienced previously. We also show that the exact nature of these tendencies varies considerably across subjects. Finally, we show that these patterns of behavior are consistent with a computationally simple reduction of an ideal-observer model. The model adjusts the influence of newly experienced outcomes according to ongoing estimates of uncertainty and the probability of a fundamental change in the process by which outcomes are generated. A prior that quantifies the expected frequency of such environmental changes accounts for individual variability, including a positive relationship between subjective certainty and the degree to which new information influences existing beliefs. The results suggest that the brain adaptively regulates the influence of decision outcomes on existing beliefs using straightforward updating rules that take into account both recent outcomes and prior expectations about higher-order environmental structure. PMID:20844132

  2. An evaluation of cement-based waste forms using the results of approximately two years of dynamic leaching

    SciTech Connect

    Cote, P.L.; Constable, T.W.; Moreira, A.

    1987-01-01

    The leachability of cement-based waste forms was assessed using a dynamic leaching test, in which solidified waste cubes are immersed in distilled water, and the water renewed at variable time intervals which were calculated assuming bulk diffusion controlled leaching. The four waste forms assessed were produced by solidifying a synthetic sludge containing arsenic, cadmium, chromium and lead, using additives of lime and fly ash, fly ash and cement, bentonite and cement, and cement and soluble silicates. The cumulative fractions of cadmium, chromium and lead leached were smaller than 1% for all the waste forms studied. Arsenic leached more readily, especially from the soluble silicates-cement waste form, attaining 15% after 665 days. The pH of the leachates remained alkaline throughout the testing period. For cadmium, chromium and lead, the rate of leaching was explained by diffusion of the soluble fraction through the pore system of the waste form matrix. For arsenic, the rate of leaching was linear, and it is postulated that the rate was limited by the mobilization of the arsenite ion resulting from carbonation of basic calcium arsenite.

  3. Black hole triple dynamics: a breakdown of the orbit average approximation and implications for gravitational wave detections

    SciTech Connect

    Antonini, Fabio; Murray, Norman; Mikkola, Seppo

    2014-01-20

    Coalescing black hole (BH) binaries forming in the dense core of globular clusters (GCs) are expected to be one of the brightest sources of gravitational wave (GW) radiation for the next generation of ground-based laser interferometers. Favorable conditions for a merger are initiated by the Kozai resonance in which the gravitational interaction with a third distant object, typically another BH, induces quasi-periodic variations of the inner BH binary eccentricity. In this article we perform high precision three-body simulations of the long-term evolution of hierarchical BH triples and investigate the conditions that lead to the merging of the BH binary and the way it might become an observable source of GW radiation. We find that the secular orbit average treatment, which was adopted in previous works, does not reliably describe the dynamics of these systems if the binary is orbited by the outer BH on a highly inclined orbit at a moderate distance. We show that 50% of coalescing BH binaries driven by the Kozai mechanism in GCs will have eccentricities larger than 0.1, with 10% of them being extremely eccentric, (1 – e) ≲ 10{sup –4}, when they first chirp in the frequency band of ground-based laser interferometers. This implies that a large fraction of such GW sources could be missed if conventional quasi-circular templates are used for analysis of GW detector data. The efficient detection of all coalescing BH binaries in GCs will therefore require template banks of eccentric inspiral waveforms for matched-filtering and dedicated search strategies.

  4. Upwind and symmetric shock-capturing schemes

    NASA Technical Reports Server (NTRS)

    Yee, H. C.

    1987-01-01

    The development of numerical methods for hyperbolic conservation laws has been a rapidly growing area for the last ten years. Many of the fundamental concepts and state-of-the-art developments can only be found in meeting proceedings or internal reports. This review paper attempts to give an overview and a unified formulation of a class of shock-capturing methods. Special emphasis is on the construction of the basic nonlinear scalar second-order schemes and the methods of extending these nonlinear scalar schemes to nonlinear systems via the extact Riemann solver, approximate Riemann solvers, and flux-vector splitting approaches. Generalization of these methods to efficiently include real gases and large systems of nonequilibrium flows is discussed. The performance of some of these schemes is illustrated by numerical examples for one-, two- and three-dimensional gas dynamics problems.

  5. Improving the Long-Lead Predictability of El Niño Using a Novel Forecasting Scheme Based on a Dynamic Components Model

    NASA Astrophysics Data System (ADS)

    Petrova, Desislava; Koopman, Siem Jan; Ballester, Joan; Garcia, Markel; Rodo, Xavier

    2016-04-01

    El Niño Southern Oscillation (ENSO) is a dominant feature of climate variability on inter-annual time scales and predictions for it are issued on a regular basis by a wide array of prediction schemes and climate centres around the world. We have explored a novel method for ENSO forecasting. In the state-of-the-art the advantageous statistical technique of Structural (Unobserved Components) Time Series has not been applied. Therefore, we have developed such a model with regression parameters obtained by a State Space approach. Its distinguishing feature is that observations consist of several unobserved components - trend, seasonality, cycles, disturbance, and explanatory regression covariates. These components are modeled separately and ultimately combined in a single forecasting scheme. We introduce a new domain of predictor regression variables accounting for the state of the subsurface ocean temperature in the western and central equatorial Pacific as it has been shown by previous studies that subsurface processes and heat accumulation there are fundamental for the genesis of El Niño. An important feature of the scheme is that different regression predictors are used at different lead months, thus capturing the dynamical evolution of the system and rendering more efficient forecasts. The new model has been tested with the prediction of all warm events that occurred in the period 1980-2015. Retrospective forecasts of these events were successfully made for long lead times of at least two years. Hence, we demonstrate that the theoretical limit of ENSO prediction should be sought much longer than the commonly accepted "Spring Barrier". Our statistical approach is found to exhibit similar skill to the best dynamical forecasting models for ENSO. Thus, the novel way in which the proposed modeling scheme has been structured could also be used for improving other statistical and dynamical prediction systems.

  6. Sensitivity of a Cloud-Resolving Model to Bulk and Explicit Bin Microphysical Schemes. Part 2; Cloud Microphysics and Storm Dynamics Interactions

    NASA Technical Reports Server (NTRS)

    Li, Xiaowen; Tao, Wei-Kuo; Khain, Alexander P.; Simpson, Joanne; Johnson, Daniel E.

    2009-01-01

    Part I of this paper compares two simulations, one using a bulk and the other a detailed bin microphysical scheme, of a long-lasting, continental mesoscale convective system with leading convection and trailing stratiform region. Diagnostic studies and sensitivity tests are carried out in Part II to explain the simulated contrasts in the spatial and temporal variations by the two microphysical schemes and to understand the interactions between cloud microphysics and storm dynamics. It is found that the fixed raindrop size distribution in the bulk scheme artificially enhances rain evaporation rate and produces a stronger near surface cool pool compared with the bin simulation. In the bulk simulation, cool pool circulation dominates the near-surface environmental wind shear in contrast to the near-balance between cool pool and wind shear in the bin simulation. This is the main reason for the contrasting quasi-steady states simulated in Part I. Sensitivity tests also show that large amounts of fast-falling hail produced in the original bulk scheme not only result in a narrow trailing stratiform region but also act to further exacerbate the strong cool pool simulated in the bulk parameterization. An empirical formula for a correction factor, r(q(sub r)) = 0.11q(sub r)(exp -1.27) + 0.98, is developed to correct the overestimation of rain evaporation in the bulk model, where r is the ratio of the rain evaporation rate between the bulk and bin simulations and q(sub r)(g per kilogram) is the rain mixing ratio. This formula offers a practical fix for the simple bulk scheme in rain evaporation parameterization.

  7. Dynamic mean field theory for lattice gas models of fluids confined in porous materials: Higher order theory based on the Bethe-Peierls and path probability method approximations

    SciTech Connect

    Edison, John R.; Monson, Peter A.

    2014-07-14

    Recently we have developed a dynamic mean field theory (DMFT) for lattice gas models of fluids in porous materials [P. A. Monson, J. Chem. Phys. 128(8), 084701 (2008)]. The theory can be used to describe the relaxation processes in the approach to equilibrium or metastable states for fluids in pores and is especially useful for studying system exhibiting adsorption/desorption hysteresis. In this paper we discuss the extension of the theory to higher order by means of the path probability method (PPM) of Kikuchi and co-workers. We show that this leads to a treatment of the dynamics that is consistent with thermodynamics coming from the Bethe-Peierls or Quasi-Chemical approximation for the equilibrium or metastable equilibrium states of the lattice model. We compare the results from the PPM with those from DMFT and from dynamic Monte Carlo simulations. We find that the predictions from PPM are qualitatively similar to those from DMFT but give somewhat improved quantitative accuracy, in part due to the superior treatment of the underlying thermodynamics. This comes at the cost of greater computational expense associated with the larger number of equations that must be solved.

  8. Investigating flow patterns and related dynamics in multi-instability turbulent plasmas using a three-point cross-phase time delay estimation velocimetry scheme

    NASA Astrophysics Data System (ADS)

    Brandt, C.; Thakur, S. C.; Tynan, G. R.

    2016-04-01

    Complexities of flow patterns in the azimuthal cross-section of a cylindrical magnetized helicon plasma and the corresponding plasma dynamics are investigated by means of a novel scheme for time delay estimation velocimetry. The advantage of this introduced method is the capability of calculating the time-averaged 2D velocity fields of propagating wave-like structures and patterns in complex spatiotemporal data. It is able to distinguish and visualize the details of simultaneously present superimposed entangled dynamics and it can be applied to fluid-like systems exhibiting frequently repeating patterns (e.g., waves in plasmas, waves in fluids, dynamics in planetary atmospheres, etc.). The velocity calculations are based on time delay estimation obtained from cross-phase analysis of time series. Each velocity vector is unambiguously calculated from three time series measured at three different non-collinear spatial points. This method, when applied to fast imaging, has been crucial to understand the rich plasma dynamics in the azimuthal cross-section of a cylindrical linear magnetized helicon plasma. The capabilities and the limitations of this velocimetry method are discussed and demonstrated for two completely different plasma regimes, i.e., for quasi-coherent wave dynamics and for complex broadband wave dynamics involving simultaneously present multiple instabilities.

  9. Molecular dynamics simulation of radiation damage in CaCd{sub 6} quasicrystal cubic approximant up to 10 keV

    SciTech Connect

    Chen, P. H.; Avchachov, K.; Nordlund, K.; Pussi, K.

    2013-06-21

    Due to the peculiar nature of the atomic order in quasicrystals, examining phase transitions in this class of materials is of particular interest. Energetic particle irradiation can provide a way to modify the structure locally in a quasicrystal. To examine irradiation-induced phase transitions in quasicrystals on the atomic scale, we have carried out molecular dynamics simulations of collision cascades in CaCd{sub 6} quasicrystal cubic approximant with energies up to 10 keV at 0 and 300 K. The results show that the threshold energies depend surprisingly strongly on the local coordination environments. The energy dependence of stable defect formation exhibits a power-law dependence on cascade energy, and surviving defects are dominated by Cd interstitials and vacancies. Only a modest effect of temperature is observed on defect survival, while irradiation temperature increases lead to a slight increase in the average size of both vacancy clusters and interstitial clusters.

  10. Dynamic disorder in single-molecule Michaelis-Menten kinetics: The reaction-diffusion formalism in the Wilemski-Fixman approximation

    NASA Astrophysics Data System (ADS)

    Chaudhury, Srabanti; Cherayil, Binny J.

    2007-09-01

    Single-molecule equations for the Michaelis-Menten [Biochem. Z. 49, 333 (1913)] mechanism of enzyme action are analyzed within the Wilemski-Fixman [J. Chem. Phys. 58, 4009 (1973); 60, 866 (1974)] approximation after the effects of dynamic disorder—modeled by the anomalous diffusion of a particle in a harmonic well—are incorporated into the catalytic step of the reaction. The solution of the Michaelis-Menten equations is used to calculate the distribution of waiting times between successive catalytic turnovers in the enzyme β-galactosidase. The calculated distribution is found to agree qualitatively with experimental results on this enzyme obtained at four different substrate concentrations. The calculations are also consistent with measurements of correlations in the fluctuations of the fluorescent light emitted during the course of catalysis, and with measurements of the concentration dependence of the randomness parameter.

  11. General-relativistic versus Newtonian: Geometric dragging and dynamic antidragging in stationary self-gravitating disks in the first post-Newtonian approximation

    NASA Astrophysics Data System (ADS)

    Jaranowski, Piotr; Mach, Patryk; Malec, Edward; Piróg, Michał

    2015-01-01

    We evaluate general-relativistic effects in the motion of stationary self-gravitating accretion disks around a Schwarzschild black hole, assuming the first post-Newtonian (1PN) approximation. There arises an integrability condition that leads to the emergence of two types of general-relativistic corrections to a Newtonian rotation curve. The well-known geometric dragging of frames accelerates rotation, but the hitherto unknown dynamic term, that reflects the disk structure, decelerates rotation. The net result can diminish the Newtonian angular velocity of rotation in a central disk zone, but the geometric dragging of frames dominates in the disk boundary zone. Both effects are nonlinear in nature, and they disappear in the limit of test fluids. Dust disks can only be geometrically dragged, while uniformly rotating gaseous disks are untouched at the 1PN order. General-relativistic contributions can strongly affect rotation periods in Keplerian motion for compact systems.

  12. Improving the long-lead predictability of El Niño using a novel forecasting scheme based on a dynamic components model

    NASA Astrophysics Data System (ADS)

    Petrova, Desislava; Koopman, Siem Jan; Ballester, Joan; Rodó, Xavier

    2016-05-01

    El Niño (EN) is a dominant feature of climate variability on inter-annual time scales driving changes in the climate throughout the globe, and having wide-spread natural and socio-economic consequences. In this sense, its forecast is an important task, and predictions are issued on a regular basis by a wide array of prediction schemes and climate centres around the world. This study explores a novel method for EN forecasting. In the state-of-the-art the advantageous statistical technique of unobserved components time series modeling, also known as structural time series modeling, has not been applied. Therefore, we have developed such a model where the statistical analysis, including parameter estimation and forecasting, is based on state space methods, and includes the celebrated Kalman filter. The distinguishing feature of this dynamic model is the decomposition of a time series into a range of stochastically time-varying components such as level (or trend), seasonal, cycles of different frequencies, irregular, and regression effects incorporated as explanatory covariates. These components are modeled separately and ultimately combined in a single forecasting scheme. Customary statistical models for EN prediction essentially use SST and wind stress in the equatorial Pacific. In addition to these, we introduce a new domain of regression variables accounting for the state of the subsurface ocean temperature in the western and central equatorial Pacific, motivated by our analysis, as well as by recent and classical research, showing that subsurface processes and heat accumulation there are fundamental for the genesis of EN. An important feature of the scheme is that different regression predictors are used at different lead months, thus capturing the dynamical evolution of the system and rendering more efficient forecasts. The new model has been tested with the prediction of all warm events that occurred in the period 1996-2015. Retrospective forecasts of these

  13. A modified symplectic scheme for seismic wave modeling

    NASA Astrophysics Data System (ADS)

    Liu, Shaolin; Li, Xiaofan; Wang, Wenshuai; Xu, Ling; Li, Bingfei

    2015-05-01

    Symplectic integrators are well known for their excellent performance in solving partial differential equation of dynamical systems because they are capable of preserving some conservative properties of dynamic equations. However, there are not enough high-order, for example third-order symplectic schemes, which are suitable for seismic wave equations. Here, we propose a strategy to construct a symplectic scheme that is based on a so-called high-order operator modification method. We first employ a conventional two-stage Runge-Kutta-Nyström (RKN) method to solve the ordinary differential equations, which are derived from the spatial discretization of the seismic wave equations. We then add a high-order term to the RKN method. Finally, we obtain a new third-order symplectic scheme with all positive symplectic coefficients, and it is defined based on the order condition, the symplectic condition, the stability condition and the dispersion relation. It is worth noting that the new scheme is independent of the spatial discretization type used, and we simply apply some finite difference operators to approximate the spatial derivatives of the isotropic elastic equations for a straightforward discussion. For the theoretical analysis, we obtain the semi-analytic stability conditions of our scheme with various orders of spatial approximation. The stability and dispersion properties of our scheme are also compared with conventional schemes to illustrate the favorable numerical behaviors of our scheme in terms of precision, stability and dispersion characteristics. Finally, three numerical experiments are employed to further demonstrate the validity of our method. The modified strategy that is proposed in this paper can be used to construct other explicit symplectic schemes.

  14. Generalized Quasilinear Approximation: Application to Zonal Jets.

    PubMed

    Marston, J B; Chini, G P; Tobias, S M

    2016-05-27

    Quasilinear theory is often utilized to approximate the dynamics of fluids exhibiting significant interactions between mean flows and eddies. We present a generalization of quasilinear theory to include dynamic mode interactions on the large scales. This generalized quasilinear (GQL) approximation is achieved by separating the state variables into large and small zonal scales via a spectral filter rather than by a decomposition into a formal mean and fluctuations. Nonlinear interactions involving only small zonal scales are then removed. The approximation is conservative and allows for scattering of energy between small-scale modes via the large scale (through nonlocal spectral interactions). We evaluate GQL for the paradigmatic problems of the driving of large-scale jets on a spherical surface and on the beta plane and show that it is accurate even for a small number of large-scale modes. As GQL is formally linear in the small zonal scales, it allows for the closure of the system and can be utilized in direct statistical simulation schemes that have proved an attractive alternative to direct numerical simulation for many geophysical and astrophysical problems. PMID:27284660

  15. Performance Evaluation of PBL Schemes of ARW Model in Simulating Thermo-Dynamical Structure of Pre-Monsoon Convective Episodes over Kharagpur Using STORM Data Sets

    NASA Astrophysics Data System (ADS)

    Madala, Srikanth; Satyanarayana, A. N. V.; Srinivas, C. V.; Tyagi, Bhishma

    2016-05-01

    In the present study, advanced research WRF (ARW) model is employed to simulate convective thunderstorm episodes over Kharagpur (22°30'N, 87°20'E) region of Gangetic West Bengal, India. High-resolution simulations are conducted using 1 × 1 degree NCEP final analysis meteorological fields for initial and boundary conditions for events. The performance of two non-local [Yonsei University (YSU), Asymmetric Convective Model version 2 (ACM2)] and two local turbulence kinetic energy closures [Mellor-Yamada-Janjic (MYJ), Bougeault-Lacarrere (BouLac)] are evaluated in simulating planetary boundary layer (PBL) parameters and thermodynamic structure of the atmosphere. The model-simulated parameters are validated with available in situ meteorological observations obtained from micro-meteorological tower as well has high-resolution DigiCORA radiosonde ascents during STORM-2007 field experiment at the study location and Doppler Weather Radar (DWR) imageries. It has been found that the PBL structure simulated with the TKE closures MYJ and BouLac are in better agreement with observations than the non-local closures. The model simulations with these schemes also captured the reflectivity, surface pressure patterns such as wake-low, meso-high, pre-squall low and the convective updrafts and downdrafts reasonably well. Qualitative and quantitative comparisons reveal that the MYJ followed by BouLac schemes better simulated various features of the thunderstorm events over Kharagpur region. The better performance of MYJ followed by BouLac is evident in the lesser mean bias, mean absolute error, root mean square error and good correlation coefficient for various surface meteorological variables as well as thermo-dynamical structure of the atmosphere relative to other PBL schemes. The better performance of the TKE closures may be attributed to their higher mixing efficiency, larger convective energy and better simulation of humidity promoting moist convection relative to non

  16. Electronic Friction-Based Vibrational Lifetimes of Molecular Adsorbates: Beyond the Independent-Atom Approximation.

    PubMed

    Rittmeyer, Simon P; Meyer, Jörg; Juaristi, J Iñaki; Reuter, Karsten

    2015-07-24

    We assess the accuracy of vibrational damping rates of diatomic adsorbates on metal surfaces as calculated within the local-density friction approximation (LDFA). An atoms-in-molecules (AIM) type charge partitioning scheme accounts for intramolecular contributions and overcomes the systematic underestimation of the nonadiabatic losses obtained within the prevalent independent-atom approximation. The quantitative agreement obtained with theoretical and experimental benchmark data suggests the LDFA-AIM scheme as an efficient and reliable approach to account for electronic dissipation in ab initio molecular dynamics simulations of surface chemical reactions. PMID:26252696

  17. Numerical approximation for the infinite-dimensional discrete-time optimal linear-quadratic regulator problem

    NASA Technical Reports Server (NTRS)

    Gibson, J. S.; Rosen, I. G.

    1986-01-01

    An abstract approximation framework is developed for the finite and infinite time horizon discrete-time linear-quadratic regulator problem for systems whose state dynamics are described by a linear semigroup of operators on an infinite dimensional Hilbert space. The schemes included the framework yield finite dimensional approximations to the linear state feedback gains which determine the optimal control law. Convergence arguments are given. Examples involving hereditary and parabolic systems and the vibration of a flexible beam are considered. Spline-based finite element schemes for these classes of problems, together with numerical results, are presented and discussed.

  18. A Study of Flow Separation in Transonic Flow Using Inviscid and Viscous Computational Fluid Dynamics (CFD) Schemes

    NASA Technical Reports Server (NTRS)

    Rhodes, J. A.; Tiwari, S. N.; Vonlavante, E.

    1988-01-01

    A comparison of flow separation in transonic flows is made using various computational schemes which solve the Euler and the Navier-Stokes equations of fluid mechanics. The flows examined are computed using several simple two-dimensional configurations including a backward facing step and a bump in a channel. Comparison of the results obtained using shock fitting and flux vector splitting methods are presented and the results obtained using the Euler codes are compared to results on the same configurations using a code which solves the Navier-Stokes equations.

  19. Visceral Leishmaniasis on the Indian Subcontinent: Modelling the Dynamic Relationship between Vector Control Schemes and Vector Life Cycles

    PubMed Central

    2016-01-01

    Background Visceral leishmaniasis (VL) is a disease caused by two known vector-borne parasite species (Leishmania donovani, L. infantum), transmitted to man by phlebotomine sand flies (species: Phlebotomus and Lutzomyia), resulting in ≈50,000 human fatalities annually, ≈67% occurring on the Indian subcontinent. Indoor residual spraying is the current method of sand fly control in India, but alternative means of vector control, such as the treatment of livestock with systemic insecticide-based drugs, are being evaluated. We describe an individual-based, stochastic, life-stage-structured model that represents a sand fly vector population within a village in India and simulates the effects of vector control via fipronil-based drugs orally administered to cattle, which target both blood-feeding adults and larvae that feed on host feces. Principle findings Simulation results indicated efficacy of fipronil-based control schemes in reducing sand fly abundance depended on timing of drug applications relative to seasonality of the sand fly life cycle. Taking into account cost-effectiveness and logistical feasibility, two of the most efficacious treatment schemes reduced population peaks occurring from April through August by ≈90% (applications 3 times per year at 2-month intervals initiated in March) and >95% (applications 6 times per year at 2-month intervals initiated in January) relative to no control, with the cumulative number of sand fly days occurring April-August reduced by ≈83% and ≈97%, respectively, and more specifically during the summer months of peak human exposure (June-August) by ≈85% and ≈97%, respectively. Conclusions Our model should prove useful in a priori evaluation of the efficacy of fipronil-based drugs in controlling leishmaniasis on the Indian subcontinent and beyond. PMID:27537774

  20. Single Cell Proteolytic Assays to Investigate Cancer Clonal Heterogeneity and Cell Dynamics Using an Efficient Cell Loading Scheme

    NASA Astrophysics Data System (ADS)

    Chen, Yu-Chih; Cheng, Yu-Heng; Ingram, Patrick; Yoon, Euisik

    2016-06-01

    Proteolytic degradation of the extracellular matrix (ECM) is critical in cancer invasion, and recent work suggests that heterogeneous cancer populations cooperate in this process. Despite the importance of cell heterogeneity, conventional proteolytic assays measure average activity, requiring thousands of cells and providing limited information about heterogeneity and dynamics. Here, we developed a microfluidic platform that provides high-efficiency cell loading and simple valveless isolation, so the proteolytic activity of a small sample (10–100 cells) can be easily characterized. Combined with a single cell derived (clonal) sphere formation platform, we have successfully demonstrated the importance of microenvironmental cues for proteolytic activity and also investigated the difference between clones. Furthermore, the platform allows monitoring single cells at multiple time points, unveiling different cancer cell line dynamics in proteolytic activity. The presented tool facilitates single cell proteolytic analysis using small samples, and our findings illuminate the heterogeneous and dynamic nature of proteolytic activity.

  1. Implantation of the global dynamic routing scheme in scale-free networks under the shortest path strategy

    NASA Astrophysics Data System (ADS)

    Ben Haddou, N.; Ez-zahraouy, H.; Rachadi, A.

    2016-07-01

    The shortest path is a basic routing model which is still used in many systems. However, due to the low exploitation of the delivery capacity of peripheral nodes, the performance achieved by this policy is very limited. Starting from the fact that changing all network routers by others more robust is not practical, we propose the improvement of the capacity of a scale-free network under the shortest path strategy by the implantation of global dynamic routers. We have studied two targeting approaches to designate specific nodes to route the packets following the global dynamic protocol; one is based on node degree and the other on its betweenness. We show that we already exceed twice the capacity under the shortest path protocol with only 4% of global dynamic routers when we target nodes with high betweenness and 10% when we target nodes with high degrees. Moreover, the average travelling time remains low while the network capacity increases.

  2. Single Cell Proteolytic Assays to Investigate Cancer Clonal Heterogeneity and Cell Dynamics Using an Efficient Cell Loading Scheme

    PubMed Central

    Chen, Yu-Chih; Cheng, Yu-Heng; Ingram, Patrick; Yoon, Euisik

    2016-01-01

    Proteolytic degradation of the extracellular matrix (ECM) is critical in cancer invasion, and recent work suggests that heterogeneous cancer populations cooperate in this process. Despite the importance of cell heterogeneity, conventional proteolytic assays measure average activity, requiring thousands of cells and providing limited information about heterogeneity and dynamics. Here, we developed a microfluidic platform that provides high-efficiency cell loading and simple valveless isolation, so the proteolytic activity of a small sample (10–100 cells) can be easily characterized. Combined with a single cell derived (clonal) sphere formation platform, we have successfully demonstrated the importance of microenvironmental cues for proteolytic activity and also investigated the difference between clones. Furthermore, the platform allows monitoring single cells at multiple time points, unveiling different cancer cell line dynamics in proteolytic activity. The presented tool facilitates single cell proteolytic analysis using small samples, and our findings illuminate the heterogeneous and dynamic nature of proteolytic activity. PMID:27283981

  3. Experimental and molecular dynamics studies of dysprosium(III) salt solutions for a better representation of the microscopic features used within the binding mean spherical approximation theory.

    PubMed

    Ruas, Alexandre; Guilbaud, Philippe; Den Auwer, Christophe; Moulin, Christophe; Simonin, Jean-Pierre; Turq, Pierre; Moisy, Philippe

    2006-10-19

    This work is aimed at a predictive description of the thermodynamic properties of actinide(III) salt solutions at high concentration and 25 degrees C. A new solution of the binding mean spherical approximation (BIMSA) theory, based on the Wertheim formalism, for taking into account 1:1 and also 1:2 complex formation, is used to reproduce, from a simple procedure, experimental osmotic coefficient variation with concentration for three binary salt solutions of the same lanthanide(III) cation: dysprosium(III) perchlorate, nitrate, and chloride. The relevance of the fitted parameters is discussed, and their values are compared with available literature values. UV-vis/near-IR, time-resolved laser-induced fluorescence spectroscopy experiments, and molecular dynamics (MD) calculations were conducted for dilute to concentrated solutions (ca. 3 mol.kg-1) for a study of the microscopic behavior of DyCl3 binary solutions. Coupling MD calculations and extended X-ray absorption fine structure led to the determination of reliable distances. The MD results were used for a discussion of the parameters used in the BIMSA.

  4. Increasing the Thermal Conductivity of Graphene-Polyamide-6,6 Nanocomposites by Surface-Grafted Polymer Chains: Calculation with Molecular Dynamics and Effective-Medium Approximation.

    PubMed

    Gao, Yangyang; Müller-Plathe, Florian

    2016-02-25

    By employing reverse nonequilibrium molecular dynamics simulations in a full atomistic resolution, the effect of surface-grafted chains on the thermal conductivity of graphene-polyamide-6.6 (PA) nanocomposites has been investigated. The interfacial thermal conductivity perpendicular to the graphene plane is proportional to the grafting density, while it first increases and then saturates with the grafting length. Meanwhile, the intrinsic in-plane thermal conductivity of graphene drops sharply as the grafting density increases. The maximum overall thermal conductivity of nanocomposites appears at an intermediate grafting density because of these two competing effects. The thermal conductivity of the composite parallel to the graphene plane increases with the grafting density and grafting length which is attributed to better interfacial coupling between graphene and PA. There exists an optimal balance between grafting density and grafting length to obtain the highest interfacial and parallel thermal conductivity. Two empirical formulas are suggested, which quantitatively account for the effects of grafting length and density on the interfacial and parallel thermal conductivity. Combined with effective medium approximation, for ungrafted graphene in random orientation, the model overestimates the thermal conductivity at low graphene volume fraction (f < 10%) compared with experiments, while it underestimates it at high graphene volume fraction (f > 10%). For unoriented grafted graphene, the model matches the experimental results well. In short, this work provides some valuable guides to obtain the nanocomposites with high thermal conductivity by grafting chain on the surface of graphene.

  5. Increasing the Thermal Conductivity of Graphene-Polyamide-6,6 Nanocomposites by Surface-Grafted Polymer Chains: Calculation with Molecular Dynamics and Effective-Medium Approximation.

    PubMed

    Gao, Yangyang; Müller-Plathe, Florian

    2016-02-25

    By employing reverse nonequilibrium molecular dynamics simulations in a full atomistic resolution, the effect of surface-grafted chains on the thermal conductivity of graphene-polyamide-6.6 (PA) nanocomposites has been investigated. The interfacial thermal conductivity perpendicular to the graphene plane is proportional to the grafting density, while it first increases and then saturates with the grafting length. Meanwhile, the intrinsic in-plane thermal conductivity of graphene drops sharply as the grafting density increases. The maximum overall thermal conductivity of nanocomposites appears at an intermediate grafting density because of these two competing effects. The thermal conductivity of the composite parallel to the graphene plane increases with the grafting density and grafting length which is attributed to better interfacial coupling between graphene and PA. There exists an optimal balance between grafting density and grafting length to obtain the highest interfacial and parallel thermal conductivity. Two empirical formulas are suggested, which quantitatively account for the effects of grafting length and density on the interfacial and parallel thermal conductivity. Combined with effective medium approximation, for ungrafted graphene in random orientation, the model overestimates the thermal conductivity at low graphene volume fraction (f < 10%) compared with experiments, while it underestimates it at high graphene volume fraction (f > 10%). For unoriented grafted graphene, the model matches the experimental results well. In short, this work provides some valuable guides to obtain the nanocomposites with high thermal conductivity by grafting chain on the surface of graphene. PMID:26800434

  6. Improving the accuracy of central difference schemes

    NASA Technical Reports Server (NTRS)

    Turkel, Eli

    1988-01-01

    General difference approximations to the fluid dynamic equations require an artificial viscosity in order to converge to a steady state. This artificial viscosity serves two purposes. One is to suppress high frequency noise which is not damped by the central differences. The second purpose is to introduce an entropy-like condition so that shocks can be captured. These viscosities need a coefficient to measure the amount of viscosity to be added. In the standard scheme, a scalar coefficient is used based on the spectral radius of the Jacobian of the convective flux. However, this can add too much viscosity to the slower waves. Hence, it is suggested that a matrix viscosity be used. This gives an appropriate viscosity for each wave component. With this matrix valued coefficient, the central difference scheme becomes closer to upwind biased methods.

  7. Implicit total variation diminishing (TVD) schemes for steady-state calculations

    NASA Technical Reports Server (NTRS)

    Yee, H. C.; Warming, R. F.; Harten, A.

    1983-01-01

    The application of a new implicit unconditionally stable high resolution total variation diminishing (TVD) scheme to steady state calculations. It is a member of a one parameter family of explicit and implicit second order accurate schemes developed by Harten for the computation of weak solutions of hyperbolic conservation laws. This scheme is guaranteed not to generate spurious oscillations for a nonlinear scalar equation and a constant coefficient system. Numerical experiments show that this scheme not only has a rapid convergence rate, but also generates a highly resolved approximation to the steady state solution. A detailed implementation of the implicit scheme for the one and two dimensional compressible inviscid equations of gas dynamics is presented. Some numerical computations of one and two dimensional fluid flows containing shocks demonstrate the efficiency and accuracy of this new scheme. Previously announced in STAR as N83-23085

  8. Implicit Total Variation Diminishing (TVD) schemes for steady-state calculations

    NASA Technical Reports Server (NTRS)

    Yee, H. C.; Warming, R. F.; Harten, A.

    1983-01-01

    The application of a new implicit unconditionally stable high resolution total variation diminishing (TVD) scheme to steady state calculations. It is a member of a one parameter family of explicit and implicit second order accurate schemes developed by Harten for the computation of weak solutions of hyperbolic conservation laws. This scheme is guaranteed not to generate spurious oscillations for a nonlinear scalar equation and a constant coefficient system. Numerical experiments show that this scheme not only has a rapid convergence rate, but also generates a highly resolved approximation to the steady state solution. A detailed implementation of the implicit scheme for the one and two dimensional compressible inviscid equations of gas dynamics is presented. Some numerical computations of one and two dimensional fluid flows containing shocks demonstrate the efficiency and accuracy of this new scheme.

  9. Validation of rapid velocity encoded cine imaging of a dynamically complex flow field using turbo block regional interpolation scheme for k space.

    PubMed

    Kortright, E; Doyle, M; Anayiotos, A S; Walsh, E G; Fuisz, A R; Pohost, G M

    2001-02-01

    Block regional interpolation scheme for k space (BRISK) is a sparse sampling approach to allow rapid magnetic resonance imaging of dynamic events. Rapid velocity encoded cine (VEC) imaging with Turbo BRISK is potentially an important clinical diagnostic technique for cardiovascular diseases. Previously we applied BRISK and Turbo BRISK to imaging pulsatile flow in a straight tube. To evaluate the capabilities of Turbo BRISK imaging in more complex dynamic flow fields such as might exist in the human vasculature, an in vitro curved tube model, similar in geometry to the aortic arch, was fabricated and imaged under pulsatile flow conditions. Velocity maps were obtained using conventional VEC and Turbo BRISK (turbo factors 1 through 5). Comparison of the flow fields obtained with each higher order turbo factor showed excellent agreement with conventional VEC with minimal loss of information. Similarly, flow maps showed good agreement with the profiles from a laser Doppler velocimetry model. Turbo-5 BRISK, for example, allowed a 94% savings in imaging time, reducing the conventional imaging time from over 8 min to a near breath-hold imaging period of 31 s. Turbo BRISK shows excellent promise toward the development of a clinical tool to evaluate complex dynamic intravascular flow fields.

  10. Simplified preparation of TO14 and Title III air toxic standards using a Windows software package and dynamic dilution schemes

    SciTech Connect

    Cardin, D.B.; Galoustian, E.A.

    1994-12-31

    The preparation of Air Toxic standards in the laboratory can be performed using several methods. These include injection of purge and trap standards, static dilution from pure compounds, and dynamic dilution from NIST traceable standards. A software package running under Windows has been developed that makes calculating dilution parameters for even complex mixtures fast and simple. Compound parameters such are name, molecular weight, boiling point, and density are saved in a data base for later access. Gas and liquid mixtures can be easily defined and saved as an inventory item, with preparation screens that calculate appropriate transfer volumes of each analyte. These mixtures can be utilized by both the static and dynamic dilution analysis windows to calculate proper flow rates and injection volumes for obtaining requested concentrations. A particularly useful approach for making accurate polar VOC standards will be presented.

  11. On positivity preserving finite volume schemes for compressible Euler equations

    NASA Technical Reports Server (NTRS)

    Perthame, Benoit; Shu, Chi-Wang

    1993-01-01

    Positivity preserving property of first and higher order finite volume schemes for one and two dimensional compressible Euler equations of gas dynamics is considered. A general framework is established which shows the positivity of density and pressure whenever the underlying one dimensional first order building block based on exact or approximate Riemann solver and the reconstruction are both positivity preserving. Appropriate limitation to achieve high order positivity preserving reconstruction is described.

  12. Applying dynamic priority scheduling scheme to static systems of pinwheel task model in power-aware scheduling.

    PubMed

    Seol, Ye-In; Kim, Young-Kuk

    2014-01-01

    Power-aware scheduling reduces CPU energy consumption in hard real-time systems through dynamic voltage scaling (DVS). In this paper, we deal with pinwheel task model which is known as static and predictable task model and could be applied to various embedded or ubiquitous systems. In pinwheel task model, each task's priority is static and its execution sequence could be predetermined. There have been many static approaches to power-aware scheduling in pinwheel task model. But, in this paper, we will show that the dynamic priority scheduling results in power-aware scheduling could be applied to pinwheel task model. This method is more effective than adopting the previous static priority scheduling methods in saving energy consumption and, for the system being still static, it is more tractable and applicable to small sized embedded or ubiquitous computing. Also, we introduce a novel power-aware scheduling algorithm which exploits all slacks under preemptive earliest-deadline first scheduling which is optimal in uniprocessor system. The dynamic priority method presented in this paper could be applied directly to static systems of pinwheel task model. The simulation results show that the proposed algorithm with the algorithmic complexity of O(n) reduces the energy consumption by 10-80% over the existing algorithms. PMID:25121126

  13. Empirical force field for cisplatin based on quantum dynamics data: case study of new parameterization scheme for coordination compounds.

    PubMed

    Yesylevskyy, S; Cardey, Bruno; Kraszewski, S; Foley, Sarah; Enescu, Mironel; da Silva, Antônio M; Dos Santos, Hélio F; Ramseyer, Christophe

    2015-10-01

    Parameterization of molecular complexes containing a metallic compound, such as cisplatin, is challenging due to the unconventional coordination nature of the bonds which involve platinum atoms. In this work, we develop a new methodology of parameterization for such compounds based on quantum dynamics (QD) calculations. We show that the coordination bonds and angles are more flexible than in normal covalent compounds. The influence of explicit solvent is also shown to be crucial to determine the flexibility of cisplatin in quantum dynamics simulations. Two empirical topologies of cisplatin were produced by fitting its atomic fluctuations against QD in vacuum and QD with explicit first solvation shell of water molecules respectively. A third topology built in a standard way from the static optimized structure was used for comparison. The later one leads to an excessively rigid molecule and exhibits much smaller fluctuations of the bonds and angles than QD reveals. It is shown that accounting for the high flexibility of cisplatin molecule is needed for adequate description of its first hydration shell. MD simulations with flexible QD-based topology also reveal a significant decrease of the barrier of passive diffusion of cisplatin accross the model lipid bilayer. These results confirm that flexibility of organometallic compounds is an important feature to be considered in classical molecular dynamics topologies. Proposed methodology based on QD simulations provides a systematic way of building such topologies.

  14. Prognostic land surface albedo from a dynamic global vegetation model clumped canopy radiative transfer scheme and satellite-derived geographic forest heights

    NASA Astrophysics Data System (ADS)

    Kiang, N. Y.; Yang, W.; Ni-Meister, W.; Aleinov, I. D.; Jonas, J.

    2014-12-01

    Vegetation cover was introduced into general circulations models (GCMs) in the 1980's to account for the effect of land surface albedo and water vapor conductance on the Earth's climate. Schemes assigning canopy albedoes by broad biome type have been superceded in 1990's by canopy radiative transfer schemes for homogeneous canopies obeying Beer's Law extinction as a function of leaf area index (LAI). Leaf albedo and often canopy height are prescribed by plant functional type (PFT). It is recognized that this approach does not effectively describe geographic variation in the radiative transfer of vegetated cover, particularly for mixed and sparse canopies. GCM-coupled dynamic global vegetation models (DGVMs) have retained these simple canopy representations, with little further evaluation of their albedos. With the emergence lidar-derived canopy vertical structure data, DGVM modelers are now revisiting albedo simulation. We present preliminary prognostic global land surface albedo produced by the Ent Terrestrial Biosphere Model (TBM), a DGVM coupled to the NASA Goddard Institute for Space Studies (GISS) GCM. The Ent TBM is a next generation DGVM designed to incorporate variation in canopy heights, and mixed and sparse canopies. For such dynamically varying canopy structure, it uses the Analytical Clumped Two-Stream (ACTS) canopy radiative transfer model, which is derived from gap probability theory for canopies of tree cohorts with ellipsoidal crowns, and accounts for soil, snow, and bare stems. We have developed a first-order global vegetation structure data set (GVSD), which gives a year of satellite-derived geographic variation in canopy height, maximum canopy leaf area, and seasonal LAI. Combined with Ent allometric relations, this data set provides population density and foliage clumping within crowns. We compare the Ent prognostic albedoes to those of the previous GISS GCM scheme, and to satellite estimates. The impact of albedo differences on surface

  15. Seasonal dynamics of Schistosoma japonicum infection in buffaloes in the Poyang Lake region and suggestions on local treatment schemes.

    PubMed

    Liu, Jin-Ming; Yu, Hua; Shi, Yao-Jun; Li, Hao; He, Liang; Li, Jian-Xi; Dong, Chang-Hua; Xie, Qiao; Jin, Ya-Mei; Lu, Ke; Lin, Jiao-Jiao

    2013-11-15

    Schistosomiasis japonica remains a major public health problem and the Poyang Lake region in Jiangxi province is one of the worst affected endemic areas. Buffaloes play a major role in the transmission of Schistosoma japonicum to humans. The aim of the present study was to increase understanding of the epidemic characteristics of schistosomiasis japonica in water buffaloes in the Poyang Lake region, after achieving the national mid-term goal, and to provide a basis for further interventions. The baseline prevalence in two villages in the Poyang Lake region in May 2010 was compared with respect to usage, sex and age in the total study population. Seasonal dynamics from May 2010 to May 2011 were observed in a natural village in the studied area. The baseline prevalence of infection in both villages (Caohui and Gaozhou) was 4.94% in May 2010. The prevalence in buffalo younger than 12 months was 12.82% in Caohui and 15.11% in Gaozhou, which was significantly higher than that found in those aged 13-24 months and older than 24 months. Of the 28 infected buffaloes, 82.14% (23) were younger than 12 months. The flow of seasonal dynamics showed that S. japonicum infection buffaloes were found from May to July and from November to January of the following year. This survey suggested that it is necessary to conduct two mass treatments (especially for young animals) in late March or early April and November, with an additional treatment of positive animals in July or June.

  16. mm_par2.0: An object-oriented molecular dynamics simulation program parallelized using a hierarchical scheme with MPI and OPENMP

    NASA Astrophysics Data System (ADS)

    Oh, Kwang Jin; Kang, Ji Hoon; Myung, Hun Joo

    2012-02-01

    We have revised a general purpose parallel molecular dynamics simulation program mm_par using the object-oriented programming. We parallelized the revised version using a hierarchical scheme in order to utilize more processors for a given system size. The benchmark result will be presented here. New version program summaryProgram title: mm_par2.0 Catalogue identifier: ADXP_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADXP_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC license, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 2 390 858 No. of bytes in distributed program, including test data, etc.: 25 068 310 Distribution format: tar.gz Programming language: C++ Computer: Any system operated by Linux or Unix Operating system: Linux Classification: 7.7 External routines: We provide wrappers for FFTW [1], Intel MKL library [2] FFT routine, and Numerical recipes [3] FFT, random number generator, and eigenvalue solver routines, SPRNG [4] random number generator, Mersenne Twister [5] random number generator, space filling curve routine. Catalogue identifier of previous version: ADXP_v1_0 Journal reference of previous version: Comput. Phys. Comm. 174 (2006) 560 Does the new version supersede the previous version?: Yes Nature of problem: Structural, thermodynamic, and dynamical properties of fluids and solids from microscopic scales to mesoscopic scales. Solution method: Molecular dynamics simulation in NVE, NVT, and NPT ensemble, Langevin dynamics simulation, dissipative particle dynamics simulation. Reasons for new version: First, object-oriented programming has been used, which is known to be open for extension and closed for modification. It is also known to be better for maintenance. Second, version 1.0 was based on atom decomposition and domain decomposition scheme [6] for parallelization. However, atom

  17. [Dynamics of functional parameters in different schemes for bronchial asthma therapy: results of the STRELA-ACT multicentre study].

    PubMed

    Ogorodova, L M; Kulikov, E S; Deev, I A; Cherniak, B A; Fassakhov, R S

    2011-01-01

    Different strategies for disease control in real clinical practice are compared in terms of dynamics of functional parameters in patients with persistent bronchial asthma. This prospective multicentre surveillance study was carried out in 19 Russian clinics using the common protocol. The patients were divided in 3 groups in accordance with the changes of basal antiinflammatory therapy during the study period. Group A--stepwise increase in the extent of combined salmoterol/fluticason therapy, group B--long-term stable-dose salmoterol/fluticason therapy, group C--salmoterol/fluticason therapy with gradual decrease of the dose and/or transition to an alternative variant. Statistical analysis using Statistica 6.0 program included data from 543 patients. The results suggest that the two first modalities increased the level of control (ACT test) and improved characteristics of external respiration throughout the study period. Strategy 3 was associated with a decrease in the external respiration function and the level of control.

  18. Spline approximations for nonlinear hereditary control systems

    NASA Technical Reports Server (NTRS)

    Daniel, P. L.

    1982-01-01

    A sline-based approximation scheme is discussed for optimal control problems governed by nonlinear nonautonomous delay differential equations. The approximating framework reduces the original control problem to a sequence of optimization problems governed by ordinary differential equations. Convergence proofs, which appeal directly to dissipative-type estimates for the underlying nonlinear operator, are given and numerical findings are summarized.

  19. A nearly-linear computational-cost scheme for the forward dynamics of an N-body pendulum

    NASA Technical Reports Server (NTRS)

    Chou, Jack C. K.

    1989-01-01

    The dynamic equations of motion of an n-body pendulum with spherical joints are derived to be a mixed system of differential and algebraic equations (DAE's). The DAE's are kept in implicit form to save arithmetic and preserve the sparsity of the system and are solved by the robust implicit integration method. At each solution point, the predicted solution is corrected to its exact solution within given tolerance using Newton's iterative method. For each iteration, a linear system of the form J delta X = E has to be solved. The computational cost for solving this linear system directly by LU factorization is O(n exp 3), and it can be reduced significantly by exploring the structure of J. It is shown that by recognizing the recursive patterns and exploiting the sparsity of the system the multiplicative and additive computational costs for solving J delta X = E are O(n) and O(n exp 2), respectively. The formulation and solution method for an n-body pendulum is presented. The computational cost is shown to be nearly linearly proportional to the number of bodies.

  20. Investigating effects of different evapotranspiration (ET) schemes on soil water dynamics and ET partitioning: a large lysimeter case of summer maize in a semi-arid environment northwest of China

    NASA Astrophysics Data System (ADS)

    Yu, L.; Zeng, Y.; Su, Z.; Cai, H.; Zheng, Z.

    2015-09-01

    Different evapotranspiration (ET) schemes can affect significantly the performance of land surface models in capturing the soil water dynamics and ET partitioning over various land cover and climates, the accurate understanding of which is crucial to determine the effective irrigation. In this study, a land model considering the coupled transfer of water, vapor and heat in the soil, with two alternative ET schemes, was used to investigate how the coupled mechanism can affect the soil water dynamics in a crop field and how the ET partitioning was influenced. There are two different evapotranspiration (ET) schemes, one is based on reference crop evapotranspiration (ET0) and use LAI to partition into soil evaporation and transpiration, denoted as the ETind scheme; the other is one-step calculation of actual soil evaporation and potential transpiration by incorporating canopy minimum resistance and actual soil resistance into Penman-Monteith model, denoted as the ETdir scheme. Results indicated that the coupled model with the two different ET schemes differed in simulating soil water content and crop evapotranspiration components while agreed well for the simulation of soil temperature. Considering the aerodynamic and surface resistance terms made the ETdir scheme better in simulating soil evaporation especially after irrigations. Furthermore, the results of different crop growth scenarios indicated that the uncertainty in LAI played an important role in estimating the relative transpiration and evaporation fraction. The soil drying seemed to intensify the disturbance of maximum rooting depth and root growth rate in calculating ET components. The former was more important at the late growing season while the latter dominated at the early growing season.

  1. Mapped interpolation scheme for single-point energy corrections in reaction rate calculations and a critical evaluation of dual-level reaction path dynamics methods

    SciTech Connect

    Chuang, Y.Y.; Truhlar, D.G.; Corchado, J.C.

    1999-02-25

    Three procedures for incorporating higher level electronic structure data into reaction path dynamics calculations are tested. In one procedure, variational transition state theory with interpolated single-point energies, which is denoted VTST-ISPE, a few extra energies calculated with a higher level theory along the lower level reaction path are used to correct the classical energetic profile of the reaction. In the second procedure, denoted variational transition state theory with interpolated optimized corrections (VTST-IOC), which the authors introduced earlier, higher level corrections to energies, frequencies, and moments of inertia are based on stationary-point geometries reoptimized at a higher level than the reaction path was calculated. The third procedure, called interpolated optimized energies (IOE), is like IOC except it omits the frequency correction. Three hydrogen-transfer reactions, CH{sub 3} + H{prime}H {r_arrow} CH{sub 3}H{prime} + H (R1), OH + H{prime}H {r_arrow} HOH{prime} + H (R2), and OH + H{prime}CH{sub 3} {r_arrow} HOH{prime} + CH{sub 3} (R3), are used to test and validate the procedures by comparing their predictions to the reaction rate evaluated with a full variational transition state theory calculation including multidimensional tunneling (VTST/MT) at the higher level. The authors present a very efficient scheme for carrying out VTST-ISPE calculations, which are popular due to their lower computational cost. They also show, on the basis of calculations of the reactions R1--R3 with eight pairs of higher and lower levels, that VTST-IOC with higher level data only at stationary points is a more reliable dual-level procedure than VTST-ISPE with higher level energies all along the reaction path. Although the frequencies along the reaction path are not corrected in the IOE scheme, the results are still better than those from VTST-ISPE; this indicates the importance of optimizing the geometry at the highest possible level.

  2. Non-Hermitian wave packet approximation of Bloch optical equations

    SciTech Connect

    Charron, Eric; Sukharev, Maxim

    2013-01-14

    We introduce a non-Hermitian approximation of Bloch optical equations. This approximation provides a complete description of the excitation, relaxation, and decoherence dynamics of ensembles of coupled quantum systems in weak laser fields, taking into account collective effects and dephasing. In the proposed method, one propagates the wave function of the system instead of a complete density matrix. Relaxation and dephasing are taken into account via automatically adjusted time-dependent gain and decay rates. As an application, we compute the numerical wave packet solution of a time-dependent non-Hermitian Schroedinger equation describing the interaction of electromagnetic radiation with a quantum nano-structure, and compare the calculated transmission, reflection, and absorption spectra with those obtained from the numerical solution of the Liouville-von Neumann equation. It is shown that the proposed wave packet scheme is significantly faster than the propagation of the full density matrix while maintaining small error. We provide the key ingredients for easy-to-use implementation of the proposed scheme and identify the limits and error scaling of this approximation.

  3. Estimating the Gibbs energy of hydration from molecular dynamics trajectories obtained by integral equations of the theory of liquids in the RISM approximation

    NASA Astrophysics Data System (ADS)

    Tikhonov, D. A.; Sobolev, E. V.

    2011-04-01

    A method of integral equations of the theory of liquids in the reference interaction site model (RISM) approximation is used to estimate the Gibbs energy averaged over equilibrium trajectories computed by molecular mechanics. Peptide oxytocin is selected as the object of interest. The Gibbs energy is calculated using all chemical potential formulas introduced in the RISM approach for the excess chemical potential of solvation and is compared with estimates by the generalized Born model. Some formulas are shown to give the wrong sign of Gibbs energy changes when peptide passes from the gas phase into water environment; the other formulas give overestimated Gibbs energy changes with the right sign. Note that allowance for the repulsive correction in the approximate analytical expressions for the Gibbs energy derived by thermodynamic perturbation theory is not a remedy.

  4. Randomized approximate nearest neighbors algorithm.

    PubMed

    Jones, Peter Wilcox; Osipov, Andrei; Rokhlin, Vladimir

    2011-09-20

    We present a randomized algorithm for the approximate nearest neighbor problem in d-dimensional Euclidean space. Given N points {x(j)} in R(d), the algorithm attempts to find k nearest neighbors for each of x(j), where k is a user-specified integer parameter. The algorithm is iterative, and its running time requirements are proportional to T·N·(d·(log d) + k·(d + log k)·(log N)) + N·k(2)·(d + log k), with T the number of iterations performed. The memory requirements of the procedure are of the order N·(d + k). A by-product of the scheme is a data structure, permitting a rapid search for the k nearest neighbors among {x(j)} for an arbitrary point x ∈ R(d). The cost of each such query is proportional to T·(d·(log d) + log(N/k)·k·(d + log k)), and the memory requirements for the requisite data structure are of the order N·(d + k) + T·(d + N). The algorithm utilizes random rotations and a basic divide-and-conquer scheme, followed by a local graph search. We analyze the scheme's behavior for certain types of distributions of {x(j)} and illustrate its performance via several numerical examples.

  5. Difference equation state approximations for nonlinear hereditary control problems

    NASA Technical Reports Server (NTRS)

    Rosen, I. G.

    1984-01-01

    Discrete approximation schemes for the solution of nonlinear hereditary control problems are constructed. The methods involve approximation by a sequence of optimal control problems in which the original infinite dimensional state equation has been approximated by a finite dimensional discrete difference equation. Convergence of the state approximations is argued using linear semigroup theory and is then used to demonstrate that solutions to the approximating optimal control problems in some sense approximate solutions to the original control problem. Two schemes, one based upon piecewise constant approximation, and the other involving spline functions are discussed. Numerical results are presented, analyzed and used to compare the schemes to other available approximation methods for the solution of hereditary control problems. Previously announced in STAR as N83-33589

  6. Difference equation state approximations for nonlinear hereditary control problems

    NASA Technical Reports Server (NTRS)

    Rosen, I. G.

    1982-01-01

    Discrete approximation schemes for the solution of nonlinear hereditary control problems are constructed. The methods involve approximation by a sequence of optimal control problems in which the original infinite dimensional state equation has been approximated by a finite dimensional discrete difference equation. Convergence of the state approximations is argued using linear semigroup theory and is then used to demonstrate that solutions to the approximating optimal control problems in some sense approximate solutions to the original control problem. Two schemes, one based upon piecewise constant approximation, and the other involving spline functions are discussed. Numerical results are presented, analyzed and used to compare the schemes to other available approximation methods for the solution of hereditary control problems.

  7. Consistent dynamics of the components of an elliptically polarised wave with zero mean amplitudes in a nonlinear isotropic gyrotropic medium in the adiabatic approximation

    SciTech Connect

    Makarov, V A; Petnikova, V M; Rudenko, K V; Shuvalov, V V

    2015-01-31

    The adiabatic approximation is used to obtain an analytical solution to a nonintegrable problem of propagation of a plane elliptically polarised light wave with zero mean amplitudes of orthogonal circularly polarised field components through an isotropic gyrotropic medium with local and nonlocal components of Kerr nonlinearity and second-order group velocity dispersion. We describe the aperiodic evolution of bound (attributable to the medium nonlinearity) paired states, which are responsible for the propagation of two orthogonal polarisation components – cnoidal waves with significantly different periods. (nonlinear optical phenomena)

  8. On the applicability of the approximate Poincaré mapping to the analysis of dynamics induced by ODE systems I. Proximity of mappings

    NASA Astrophysics Data System (ADS)

    Bakaleinikov, L. A.; Silbergleit, A. S.

    The closeness of the approximate ( PL) and the exact ( P) Poincaré mappings for ODE systems with a hyperbolic critical point possessing a homoclinic orbit, is studied. The mappings are shown to be not uniformly close in their whole domain. The existence of the uniform estimate in a general case is provided by the restriction of mappings P, PL to some subset. The images of mappings PL and P occur to be uniformly close in the whole domain only for particular cases of 2-dimensional systems, systems with a single unstable direction at the equilibrium point and systems with two unstable directions corresponding to a complex conjugate pair of eigenvalues.

  9. Approximate Bayesian multibody tracking.

    PubMed

    Lanz, Oswald

    2006-09-01

    Visual tracking of multiple targets is a challenging problem, especially when efficiency is an issue. Occlusions, if not properly handled, are a major source of failure. Solutions supporting principled occlusion reasoning have been proposed but are yet unpractical for online applications. This paper presents a new solution which effectively manages the trade-off between reliable modeling and computational efficiency. The Hybrid Joint-Separable (HJS) filter is derived from a joint Bayesian formulation of the problem, and shown to be efficient while optimal in terms of compact belief representation. Computational efficiency is achieved by employing a Markov random field approximation to joint dynamics and an incremental algorithm for posterior update with an appearance likelihood that implements a physically-based model of the occlusion process. A particle filter implementation is proposed which achieves accurate tracking during partial occlusions, while in cases of complete occlusion, tracking hypotheses are bound to estimated occlusion volumes. Experiments show that the proposed algorithm is efficient, robust, and able to resolve long-term occlusions between targets with identical appearance. PMID:16929730

  10. Discrete approximations of detonation flows with structured detonation reaction zones by discontinuous front models: A program burn algorithm based on detonation shock dynamics

    SciTech Connect

    Bdzil, J.B.; Jackson, T.L.; Stewart, D.S.

    1999-02-02

    In the design of explosive systems the generic problem that one must consider is the propagation of a well-developed detonation wave sweeping through an explosive charge with a complex shape. At a given instant of time the lead detonation shock is a surface that occupies a region of the explosive and has a dimension that is characteristic of the explosive device, typically on the scale of meters. The detonation shock is powered by a detonation reaction zone, sitting immediately behind the shock, which is on the scale of 1 millimeter or less. Thus, the ratio of the reaction zone thickness to the device dimension is of the order of 1/1,000 or less. This scale disparity can lead to great difficulties in computing three-dimensional detonation dynamics. An attack on the dilemma for the computation of detonation systems has lead to the invention of sub-scale models for a propagating detonation front that they refer to herein as program burn models. The program burn model seeks not to resolve the fine scale of the reaction zone in the sense of a DNS simulation. The goal of a program burn simulation is to resolve the hydrodynamics in the inert product gases on a grid much coarser than that required to resolve a physical reaction zone. The authors first show that traditional program burn algorithms for detonation hydrocodes used for explosive design are inconsistent and yield incorrect shock dynamic behavior. To overcome these inconsistencies, they are developing a new class of program burn models based on detonation shock dynamic (DSD) theory. It is hoped that this new class will yield a consistent and robust algorithm which reflects the correct shock dynamic behavior.

  11. Dynamic analysis of the parallel-plate EMP (Electromagnetic Pulse) simulator using a wire-mesh approximation and the numerical electromagnetics code. Final report

    SciTech Connect

    Gedney, S.D.

    1987-09-01

    The electromagnetic pulse (EMP) produced by a high-altitude nuclear blast presents a severe threat to electronic systems due to its extreme characteristics. To test the vulnerability of large systems, such as airplanes, missiles, or satellites, they must be subjected to a simulated EMP environment. One type of simulator that has been used to approximate the EMP environment is the Large Parallel-Plate Bounded-Wave Simulator. It is a guided-wave simulator which has properties of a transmission line and supports a single TEM model at sufficiently low frequencies. This type of simulator consists of finite-width parallel-plate waveguides, which are excited by a wave launcher and terminated by a wave receptor. This study addresses the field distribution within a finite-width parallel-plate waveguide that is matched to a conical tapered waveguide at either end. Characteristics of a parallel-plate bounded-wave EMP simulator were developed using scattering theory, thin-wire mesh approximation of the conducting surfaces, and the Numerical Electronics Code (NEC). Background is provided for readers to use the NEC as a tool in solving thin-wire scattering problems.

  12. Approximate flavor symmetries

    SciTech Connect

    Rasin, A.

    1994-04-01

    We discuss the idea of approximate flavor symmetries. Relations between approximate flavor symmetries and natural flavor conservation and democracy models is explored. Implications for neutrino physics are also discussed.

  13. Finite volume renormalization scheme for fermionic operators

    SciTech Connect

    Monahan, Christopher; Orginos, Kostas

    2013-11-01

    We propose a new finite volume renormalization scheme. Our scheme is based on the Gradient Flow applied to both fermion and gauge fields and, much like the Schr\\"odinger functional method, allows for a nonperturbative determination of the scale dependence of operators using a step-scaling approach. We give some preliminary results for the pseudo-scalar density in the quenched approximation.

  14. A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solutions based upon mixed quantum-classical approximation. I. Proton transfer reaction in water

    SciTech Connect

    Yamada, Atsushi; Kojima, Hidekazu; Okazaki, Susumu

    2014-08-28

    In order to investigate proton transfer reaction in solution, mixed quantum-classical molecular dynamics calculations have been carried out based on our previously proposed quantum equation of motion for the reacting system [A. Yamada and S. Okazaki, J. Chem. Phys. 128, 044507 (2008)]. Surface hopping method was applied to describe forces acting on the solvent classical degrees of freedom. In a series of our studies, quantum and solvent effects on the reaction dynamics in solutions have been analysed in detail. Here, we report our mixed quantum-classical molecular dynamics calculations for intramolecular proton transfer of malonaldehyde in water. Thermally activated proton transfer process, i.e., vibrational excitation in the reactant state followed by transition to the product state and vibrational relaxation in the product state, as well as tunneling reaction can be described by solving the equation of motion. Zero point energy is, of course, included, too. The quantum simulation in water has been compared with the fully classical one and the wave packet calculation in vacuum. The calculated quantum reaction rate in water was 0.70 ps{sup −1}, which is about 2.5 times faster than that in vacuum, 0.27 ps{sup −1}. This indicates that the solvent water accelerates the reaction. Further, the quantum calculation resulted in the reaction rate about 2 times faster than the fully classical calculation, which indicates that quantum effect enhances the reaction rate, too. Contribution from three reaction mechanisms, i.e., tunneling, thermal activation, and barrier vanishing reactions, is 33:46:21 in the mixed quantum-classical calculations. This clearly shows that the tunneling effect is important in the reaction.

  15. Development of PUNDA (Parametric Universal Nonlinear Dynamics Approximator) Models for Self-Validating Knowledge-Guided Modelling of Nonlinear Processes in Particle Accelerators \\& Industry

    SciTech Connect

    Sayyar-Rodsari, Bijan; Schweiger, Carl; Hartman, Eric

    2007-10-07

    The difficult problems being tackled in the accelerator community are those that are nonlinear, substantially unmodeled, and vary over time. Such problems are ideal candidates for model-based optimization and control if representative models of the problem can be developed that capture the necessary mathematical relations and remain valid throughout the operation region of the system, and through variations in system dynamics. The goal of this proposal is to develop the methodology and the algorithms for building high-fidelity mathematical representations of complex nonlinear systems via constrained training of combined first-principles and neural network models.

  16. Multiple scattering by cylinders immersed in fluid: high order approximations for the effective wavenumbers.

    PubMed

    Norris, Andrew N; Conoir, Jean-Marc

    2011-01-01

    Acoustic wave propagation in a fluid with a random assortment of identical cylindrical scatterers is considered. While the leading order correction to the effective wavenumber of the coherent wave is well established at dilute areal density (n0) of scatterers, in this paper the higher order dependence of the coherent wavenumber on n0 is developed in several directions. Starting from the quasi-crystalline approximation (QCA) a consistent method is described for continuing the Linton and Martin formula, which is second order in n0, to higher orders. Explicit formulas are provided for corrections to the effective wavenumber up to O (n0(4)). Then, using the QCA theory as a basis, generalized self-consistent schemes are developed and compared with self-consistent schemes using other dynamic effective medium theories. It is shown that the Linton and Martin formula provides a closed self-consistent scheme, unlike other approaches. PMID:21302992

  17. Progressive Image Coding by Hierarchical Linear Approximation.

    ERIC Educational Resources Information Center

    Wu, Xiaolin; Fang, Yonggang

    1994-01-01

    Proposes a scheme of hierarchical piecewise linear approximation as an adaptive image pyramid. A progressive image coder comes naturally from the proposed image pyramid. The new pyramid is semantically more powerful than regular tessellation but syntactically simpler than free segmentation. This compromise between adaptability and complexity…

  18. Approximation of Laws

    NASA Astrophysics Data System (ADS)

    Niiniluoto, Ilkka

    2014-03-01

    Approximation of laws is an important theme in the philosophy of science. If we can make sense of the idea that two scientific laws are "close" to each other, then we can also analyze such methodological notions as approximate explanation of laws, approximate reduction of theories, approximate empirical success of theories, and approximate truth of laws. Proposals for measuring the distance between quantitative scientific laws were given in Niiniluoto (1982, 1987). In this paper, these definitions are reconsidered as a response to the interesting critical remarks by Liu (1999).

  19. MUSTA schemes for multi-dimensional hyperbolic systems: analysis and improvements

    NASA Astrophysics Data System (ADS)

    Titarev, V. A.; Toro, E. F.

    2005-09-01

    We develop and analyse an improved version of the multi-stage (MUSTA) approach to the construction of upwind Godunov-type fluxes whereby the solution of the Riemann problem, approximate or exact, is not required. The new MUSTA schemes improve upon the original schemes in terms of monotonicity properties, accuracy and stability in multiple space dimensions. We incorporate the MUSTA technology into the framework of finite-volume weighted essentially nonoscillatory schemes as applied to the Euler equations of compressible gas dynamics. The results demonstrate that our new schemes are good alternatives to current centred methods and to conventional upwind methods as applied to complicated hyperbolic systems for which the solution of the Riemann problem is costly or unknown.

  20. TE/TM alternating direction scheme for wake field calculation in 3D

    NASA Astrophysics Data System (ADS)

    Zagorodnov, Igor; Weiland, Thomas

    2006-03-01

    In the future, accelerators with very short bunches will be used. It demands developing new numerical approaches for long-time calculation of electromagnetic fields in the vicinity of relativistic bunches. The conventional FDTD scheme, used in MAFIA, ABCI and other wake and PIC codes, suffers from numerical grid dispersion and staircase approximation problem. As an effective cure of the dispersion problem, a numerical scheme without dispersion in longitudinal direction can be used as it was shown by Novokhatski et al. [Transition dynamics of the wake fields of ultrashort bunches, TESLA Report 2000-03, DESY, 2000] and Zagorodnov et al. [J. Comput. Phys. 191 (2003) 525]. In this paper, a new economical conservative scheme for short-range wake field calculation in 3D is presented. As numerical examples show, the new scheme is much more accurate on long-time scale than the conventional FDTD approach.

  1. Approximating random quantum optimization problems

    NASA Astrophysics Data System (ADS)

    Hsu, B.; Laumann, C. R.; Läuchli, A. M.; Moessner, R.; Sondhi, S. L.

    2013-06-01

    We report a cluster of results regarding the difficulty of finding approximate ground states to typical instances of the quantum satisfiability problem k-body quantum satisfiability (k-QSAT) on large random graphs. As an approximation strategy, we optimize the solution space over “classical” product states, which in turn introduces a novel autonomous classical optimization problem, PSAT, over a space of continuous degrees of freedom rather than discrete bits. Our central results are (i) the derivation of a set of bounds and approximations in various limits of the problem, several of which we believe may be amenable to a rigorous treatment; (ii) a demonstration that an approximation based on a greedy algorithm borrowed from the study of frustrated magnetism performs well over a wide range in parameter space, and its performance reflects the structure of the solution space of random k-QSAT. Simulated annealing exhibits metastability in similar “hard” regions of parameter space; and (iii) a generalization of belief propagation algorithms introduced for classical problems to the case of continuous spins. This yields both approximate solutions, as well as insights into the free energy “landscape” of the approximation problem, including a so-called dynamical transition near the satisfiability threshold. Taken together, these results allow us to elucidate the phase diagram of random k-QSAT in a two-dimensional energy-density-clause-density space.

  2. A large-eddy simulation study of the impact of different land-atmosphere coupling schemes on the dynamics of the nocturnal boundary layer (Invited)

    NASA Astrophysics Data System (ADS)

    Stoll, J. R.; Shingleton, N. D.; Bosveld, F.

    2010-12-01

    Accurately reproducing the dynamic two-way interaction between the land surface and the atmosphere in the stable boundary layer (SBL) requires detailed treatment of the governing physical processes. Increasingly, large-eddy simulation (LES) is used for this purpose. In many studies, the dominant treatment of surface boundary conditions is to specify a known state or flux. This results in one-way or weak two-way coupling between the land surface and the boundary layer. The impact of how this coupling is modeled on atmospheric boundary layer (ABL) dynamics is still not fully understood, especially under transitional and weakly turbulent conditions. Here, LES that is fully coupled to a land-surface model (LSM) is used to investigate the nocturnal and the transitional periods of the diurnal cycle. The LSM explicitly solves for the transport of heat and water in a one-dimensional column of the upper soil and is coupled to the atmosphere through a surface energy budget. The fully coupled LES-LSM is used to simulate the third GEWEX (Global Energy and Water Cycle Experiment) ABL (GABLS3) LES intercomparison case. Turbulent boundary layer profiles and surface fluxes are compared to field data and results from simulations using three different levels of physical description as lower boundary conditions. These include simulations with prescribed temperature and moisture state, with a LSM that uses a bare-soil approximation and a LSM that include a skin layer. Overall, simulations with all three types of boundary conditions compare fairly well with the general trends observed in the field data for surface fluxes and boundary layer turbulence statistical profiles during the intercomparison time period (night to early morning) with a few differences. The LES-LSM model under-predicts the latent heat flux during the night and over-predicts the ground heat and moisture fluxes. The addition of a skin layer improves flux predictions during the night and early morning. Surface fluxes

  3. Approximate reasoning using terminological models

    NASA Technical Reports Server (NTRS)

    Yen, John; Vaidya, Nitin

    1992-01-01

    Term Subsumption Systems (TSS) form a knowledge-representation scheme in AI that can express the defining characteristics of concepts through a formal language that has a well-defined semantics and incorporates a reasoning mechanism that can deduce whether one concept subsumes another. However, TSS's have very limited ability to deal with the issue of uncertainty in knowledge bases. The objective of this research is to address issues in combining approximate reasoning with term subsumption systems. To do this, we have extended an existing AI architecture (CLASP) that is built on the top of a term subsumption system (LOOM). First, the assertional component of LOOM has been extended for asserting and representing uncertain propositions. Second, we have extended the pattern matcher of CLASP for plausible rule-based inferences. Third, an approximate reasoning model has been added to facilitate various kinds of approximate reasoning. And finally, the issue of inconsistency in truth values due to inheritance is addressed using justification of those values. This architecture enhances the reasoning capabilities of expert systems by providing support for reasoning under uncertainty using knowledge captured in TSS. Also, as definitional knowledge is explicit and separate from heuristic knowledge for plausible inferences, the maintainability of expert systems could be improved.

  4. Ultrafast approximation for phylogenetic bootstrap.

    PubMed

    Minh, Bui Quang; Nguyen, Minh Anh Thi; von Haeseler, Arndt

    2013-05-01

    Nonparametric bootstrap has been a widely used tool in phylogenetic analysis to assess the clade support of phylogenetic trees. However, with the rapidly growing amount of data, this task remains a computational bottleneck. Recently, approximation methods such as the RAxML rapid bootstrap (RBS) and the Shimodaira-Hasegawa-like approximate likelihood ratio test have been introduced to speed up the bootstrap. Here, we suggest an ultrafast bootstrap approximation approach (UFBoot) to compute the support of phylogenetic groups in maximum likelihood (ML) based trees. To achieve this, we combine the resampling estimated log-likelihood method with a simple but effective collection scheme of candidate trees. We also propose a stopping rule that assesses the convergence of branch support values to automatically determine when to stop collecting candidate trees. UFBoot achieves a median speed up of 3.1 (range: 0.66-33.3) to 10.2 (range: 1.32-41.4) compared with RAxML RBS for real DNA and amino acid alignments, respectively. Moreover, our extensive simulations show that UFBoot is robust against moderate model violations and the support values obtained appear to be relatively unbiased compared with the conservative standard bootstrap. This provides a more direct interpretation of the bootstrap support. We offer an efficient and easy-to-use software (available at http://www.cibiv.at/software/iqtree) to perform the UFBoot analysis with ML tree inference.

  5. Approximate Counting of Graphical Realizations

    PubMed Central

    2015-01-01

    In 1999 Kannan, Tetali and Vempala proposed a MCMC method to uniformly sample all possible realizations of a given graphical degree sequence and conjectured its rapidly mixing nature. Recently their conjecture was proved affirmative for regular graphs (by Cooper, Dyer and Greenhill, 2007), for regular directed graphs (by Greenhill, 2011) and for half-regular bipartite graphs (by Miklós, Erdős and Soukup, 2013). Several heuristics on counting the number of possible realizations exist (via sampling processes), and while they work well in practice, so far no approximation guarantees exist for such an approach. This paper is the first to develop a method for counting realizations with provable approximation guarantee. In fact, we solve a slightly more general problem; besides the graphical degree sequence a small set of forbidden edges is also given. We show that for the general problem (which contains the Greenhill problem and the Miklós, Erdős and Soukup problem as special cases) the derived MCMC process is rapidly mixing. Further, we show that this new problem is self-reducible therefore it provides a fully polynomial randomized approximation scheme (a.k.a. FPRAS) for counting of all realizations. PMID:26161994

  6. Sparse pseudospectral approximation method

    NASA Astrophysics Data System (ADS)

    Constantine, Paul G.; Eldred, Michael S.; Phipps, Eric T.

    2012-07-01

    Multivariate global polynomial approximations - such as polynomial chaos or stochastic collocation methods - are now in widespread use for sensitivity analysis and uncertainty quantification. The pseudospectral variety of these methods uses a numerical integration rule to approximate the Fourier-type coefficients of a truncated expansion in orthogonal polynomials. For problems in more than two or three dimensions, a sparse grid numerical integration rule offers accuracy with a smaller node set compared to tensor product approximation. However, when using a sparse rule to approximately integrate these coefficients, one often finds unacceptable errors in the coefficients associated with higher degree polynomials. By reexamining Smolyak's algorithm and exploiting the connections between interpolation and projection in tensor product spaces, we construct a sparse pseudospectral approximation method that accurately reproduces the coefficients of basis functions that naturally correspond to the sparse grid integration rule. The compelling numerical results show that this is the proper way to use sparse grid integration rules for pseudospectral approximation.

  7. Nonoscillatory central schemes for hyperbolic systems of conservation laws in three-space dimensions.

    PubMed

    Guarendi, Andrew N; Chandy, Abhilash J

    2013-01-01

    We extend a family of high-resolution, semidiscrete central schemes for hyperbolic systems of conservation laws to three-space dimensions. Details of the schemes, their implementation, and properties are presented together with results from several prototypical applications of hyperbolic conservation laws including a nonlinear scalar equation, the Euler equations of gas dynamics, and the ideal magnetohydrodynamic equations. Parallel scaling analysis and grid-independent results including contours and isosurfaces of density and velocity and magnetic field vectors are shown in this study, confirming the ability of these types of solvers to approximate the solutions of hyperbolic equations efficiently and accurately.

  8. Nonoscillatory central schemes for hyperbolic systems of conservation laws in three-space dimensions.

    PubMed

    Guarendi, Andrew N; Chandy, Abhilash J

    2013-01-01

    We extend a family of high-resolution, semidiscrete central schemes for hyperbolic systems of conservation laws to three-space dimensions. Details of the schemes, their implementation, and properties are presented together with results from several prototypical applications of hyperbolic conservation laws including a nonlinear scalar equation, the Euler equations of gas dynamics, and the ideal magnetohydrodynamic equations. Parallel scaling analysis and grid-independent results including contours and isosurfaces of density and velocity and magnetic field vectors are shown in this study, confirming the ability of these types of solvers to approximate the solutions of hyperbolic equations efficiently and accurately. PMID:24058287

  9. Approximations for photoelectron scattering

    NASA Astrophysics Data System (ADS)

    Fritzsche, V.

    1989-04-01

    The errors of several approximations in the theoretical approach of photoelectron scattering are systematically studied, in tungsten, for electron energies ranging from 10 to 1000 eV. The large inaccuracies of the plane-wave approximation (PWA) are substantially reduced by means of effective scattering amplitudes in the modified small-scattering-centre approximation (MSSCA). The reduced angular momentum expansion (RAME) is so accurate that it allows reliable calculations of multiple-scattering contributions for all the energies considered.

  10. Approximate spatial reasoning

    NASA Technical Reports Server (NTRS)

    Dutta, Soumitra

    1988-01-01

    A model for approximate spatial reasoning using fuzzy logic to represent the uncertainty in the environment is presented. Algorithms are developed which can be used to reason about spatial information expressed in the form of approximate linguistic descriptions similar to the kind of spatial information processed by humans. Particular attention is given to static spatial reasoning.

  11. Analysis and design of numerical schemes for gas dynamics 1: Artificial diffusion, upwind biasing, limiters and their effect on accuracy and multigrid convergence

    NASA Technical Reports Server (NTRS)

    Jameson, Antony

    1994-01-01

    The theory of non-oscillatory scalar schemes is developed in this paper in terms of the local extremum diminishing (LED) principle that maxima should not increase and minima should not decrease. This principle can be used for multi-dimensional problems on both structured and unstructured meshes, while it is equivalent to the total variation diminishing (TVD) principle for one-dimensional problems. A new formulation of symmetric limited positive (SLIP) schemes is presented, which can be generalized to produce schemes with arbitrary high order of accuracy in regions where the solution contains no extrema, and which can also be implemented on multi-dimensional unstructured meshes. Systems of equations lead to waves traveling with distinct speeds and possibly in opposite directions. Alternative treatments using characteristic splitting and scalar diffusive fluxes are examined, together with modification of the scalar diffusion through the addition of pressure differences to the momentum equations to produce full upwinding in supersonic flow. This convective upwind and split pressure (CUSP) scheme exhibits very rapid convergence in multigrid calculations of transonic flow, and provides excellent shock resolution at very high Mach numbers.

  12. Third-order accurate entropy-stable schemes for initial-boundary-value conservation laws

    NASA Astrophysics Data System (ADS)

    Svärd, Magnus

    2012-08-01

    We consider initial-boundary-value conservation laws with the objective to obtain high-order approximations. We study two different approaches to obtain third-order accuracy, local entropy stability and a global bound on the entropy. The results are applicable to, for example the Euler equations of gas dynamics, for which we present numerical results demonstrating the robustness and accuracy of the scheme.

  13. Validity of the site-averaging approximation for modeling the dissociative chemisorption of H{sub 2} on Cu(111) surface: A quantum dynamics study on two potential energy surfaces

    SciTech Connect

    Liu, Tianhui; Fu, Bina E-mail: zhangdh@dicp.ac.cn; Zhang, Dong H. E-mail: zhangdh@dicp.ac.cn

    2014-11-21

    A new finding of the site-averaging approximation was recently reported on the dissociative chemisorption of the HCl/DCl+Au(111) surface reaction [T. Liu, B. Fu, and D. H. Zhang, J. Chem. Phys. 139, 184705 (2013); T. Liu, B. Fu, and D. H. Zhang, J. Chem. Phys. 140, 144701 (2014)]. Here, in order to investigate the dependence of new site-averaging approximation on the initial vibrational state of H{sub 2} as well as the PES for the dissociative chemisorption of H{sub 2} on Cu(111) surface at normal incidence, we carried out six-dimensional quantum dynamics calculations using the initial state-selected time-dependent wave packet approach, with H{sub 2} initially in its ground vibrational state and the first vibrational excited state. The corresponding four-dimensional site-specific dissociation probabilities are also calculated with H{sub 2} fixed at bridge, center, and top sites. These calculations are all performed based on two different potential energy surfaces (PESs). It is found that the site-averaging dissociation probability over 15 fixed sites obtained from four-dimensional quantum dynamics calculations can accurately reproduce the six-dimensional dissociation probability for H{sub 2} (v = 0) and (v = 1) on the two PESs.

  14. Characterization of dynamic thermal control schemes and heat transfer pathways for incorporating variable emissivity electrochromic materials into a space suit heat rejection system

    NASA Astrophysics Data System (ADS)

    Massina, Christopher James

    The feasibility of conducting long duration human spaceflight missions is largely dependent on the provision of consumables such as oxygen, water, and food. In addition to meeting crew metabolic needs, water sublimation has long served as the primary heat rejection mechanism in space suits during extravehicular activity (EVA). During a single eight hour EVA, approximately 3.6 kg (8 lbm) of water is lost from the current suit. Reducing the amount of expended water during EVA is a long standing goal of space suit life support systems designers; but to date, no alternate thermal control mechanism has demonstrated the ability to completely eliminate the loss. One proposed concept is to convert the majority of a space suit's surface area into a radiator such that the local environment can be used as a radiative thermal sink for rejecting heat without mass loss. Due to natural variations in both internal (metabolic) loads and external (environmental) sink temperatures, radiative transport must be actively modulated in order to maintain an acceptable thermal balance. Here, variable emissivity electrochromic devices are examined as the primary mechanism for enabling variable heat rejection. This dissertation focuses on theoretical and empirical evaluations performed to determine the feasibility of using a full suit, variable emissivity radiator architecture for space suit thermal control. Operational envelopes are described that show where a given environment and/or metabolic load combination may or may not be supported by the evaluated thermal architecture. Key integration considerations and guidelines include determining allowable thermal environments, defining skin-to-radiator heat transfer properties, and evaluating required electrochromic performance properties. Analysis also considered the impacts of dynamic environmental changes and the architecture's extensibility to EVA on the Martian surface. At the conclusion of this work, the full suit, variable emissivity

  15. Development of an establishment scheme for a DGVM

    NASA Astrophysics Data System (ADS)

    Song, Xiang; Zeng, Xiaodong; Zhu, Jiawen; Shao, Pu

    2016-07-01

    Environmental changes are expected to shift the distribution and abundance of vegetation by determining seedling establishment and success. However, most current ecosystem models only focus on the impacts of abiotic factors on biogeophysics (e.g., global distribution, etc.), ignoring their roles in the population dynamics (e.g., seedling establishment rate, mortality rate, etc.) of ecological communities. Such neglect may lead to biases in ecosystem population dynamics (such as changes in population density for woody species in forest ecosystems) and characteristics. In the present study, a new establishment scheme for introducing soil water as a function rather than a threshold was developed and validated, using version 1.0 of the IAP-DGVM as a test bed. The results showed that soil water in the establishment scheme had a remarkable influence on forest transition zones. Compared with the original scheme, the new scheme significantly improved simulations of tree population density, especially in the peripheral areas of forests and transition zones. Consequently, biases in forest fractional coverage were reduced in approximately 78.8% of the global grid cells. The global simulated areas of tree, shrub, grass and bare soil performed better, where the relative biases were reduced from 34.3% to 4.8%, from 27.6% to 13.1%, from 55.2% to 9.2%, and from 37.6% to 3.6%, respectively. Furthermore, the new scheme had more reasonable dependencies of plant functional types (PFTs) on mean annual precipitation, and described the correct dominant PFTs in the tropical rainforest peripheral areas of the Amazon and central Africa.

  16. A family of high-order targeted ENO schemes for compressible-fluid simulations

    NASA Astrophysics Data System (ADS)

    Fu, Lin; Hu, Xiangyu Y.; Adams, Nikolaus A.

    2016-01-01

    Although classical WENO schemes have achieved great success and are widely accepted, they exhibit several shortcomings. They are too dissipative for direct simulations of turbulence and lack robustness when very-high-order versions are applied to complex flows. In this paper, we propose a family of high-order targeted ENO schemes which are applicable for compressible-fluid simulations involving a wide range of flow scales. In order to increase the numerical robustness as compared to very-high-order classical WENO schemes, the reconstruction dynamically assembles a set of low-order candidate stencils with incrementally increasing width. While discontinuities and small-scale fluctuations are efficiently separated, the numerical dissipation is significantly diminished by an ENO-like stencil selection, which either applies a candidate stencil with its original linear weight, or removes its contribution when it is crossed by a discontinuity. The background linear scheme is optimized under the constraint of preserving an approximate dispersion-dissipation relation. By means of quasi-linear analyses and practical numerical experiments, a set of case-independent parameters is determined. The general formulation of arbitrarily high-order schemes is presented in a straightforward way. A variety of benchmark-test problems, including broadband waves, strong shock and contact discontinuities are studied. Compared to well-established classical WENO schemes, the present schemes exhibit significantly improved robustness, low numerical dissipation and sharp discontinuity capturing. They are particularly suitable for DNS and LES of shock-turbulence interactions.

  17. Dispersion-relation-preserving schemes for computational aeroacoustics

    NASA Technical Reports Server (NTRS)

    Tam, Christopher K. W.; Webb, Jay C.

    1992-01-01

    Finite difference schemes that have the same dispersion relations as the original partial differential equations are referred to as dispersion-relation-preserving (DRP) schemes. A method to construct time marching DRP schemes by optimizing the finite difference approximations of the space and time derivatives in the wave number and frequency space is presented. A sequence of numerical simulations is then performed.

  18. Electromagnetism, Optics, Acoustics, Heat Transfer, Classical Mechanics, and Fluid Dynamics Two Unconditional Stable Schemes for Simulation of Heat Equation on Manifold Using DEC

    NASA Astrophysics Data System (ADS)

    Xie, Zheng

    2011-02-01

    To predict the heat diffusion in a given region over time, it is often necessary to find the numerical solution for heat equation. However, the computational domain of classical numerical methods are limited to flat spacetime. With the techniques of discrete differential calculus, we propose two unconditional stable numerical schemes for simulation heat equation on space manifold and time. The analysis of their stability and error is accomplished by the use of maximum principle.

  19. Approximate kernel competitive learning.

    PubMed

    Wu, Jian-Sheng; Zheng, Wei-Shi; Lai, Jian-Huang

    2015-03-01

    Kernel competitive learning has been successfully used to achieve robust clustering. However, kernel competitive learning (KCL) is not scalable for large scale data processing, because (1) it has to calculate and store the full kernel matrix that is too large to be calculated and kept in the memory and (2) it cannot be computed in parallel. In this paper we develop a framework of approximate kernel competitive learning for processing large scale dataset. The proposed framework consists of two parts. First, it derives an approximate kernel competitive learning (AKCL), which learns kernel competitive learning in a subspace via sampling. We provide solid theoretical analysis on why the proposed approximation modelling would work for kernel competitive learning, and furthermore, we show that the computational complexity of AKCL is largely reduced. Second, we propose a pseudo-parallelled approximate kernel competitive learning (PAKCL) based on a set-based kernel competitive learning strategy, which overcomes the obstacle of using parallel programming in kernel competitive learning and significantly accelerates the approximate kernel competitive learning for large scale clustering. The empirical evaluation on publicly available datasets shows that the proposed AKCL and PAKCL can perform comparably as KCL, with a large reduction on computational cost. Also, the proposed methods achieve more effective clustering performance in terms of clustering precision against related approximate clustering approaches.

  20. Approximate kernel competitive learning.

    PubMed

    Wu, Jian-Sheng; Zheng, Wei-Shi; Lai, Jian-Huang

    2015-03-01

    Kernel competitive learning has been successfully used to achieve robust clustering. However, kernel competitive learning (KCL) is not scalable for large scale data processing, because (1) it has to calculate and store the full kernel matrix that is too large to be calculated and kept in the memory and (2) it cannot be computed in parallel. In this paper we develop a framework of approximate kernel competitive learning for processing large scale dataset. The proposed framework consists of two parts. First, it derives an approximate kernel competitive learning (AKCL), which learns kernel competitive learning in a subspace via sampling. We provide solid theoretical analysis on why the proposed approximation modelling would work for kernel competitive learning, and furthermore, we show that the computational complexity of AKCL is largely reduced. Second, we propose a pseudo-parallelled approximate kernel competitive learning (PAKCL) based on a set-based kernel competitive learning strategy, which overcomes the obstacle of using parallel programming in kernel competitive learning and significantly accelerates the approximate kernel competitive learning for large scale clustering. The empirical evaluation on publicly available datasets shows that the proposed AKCL and PAKCL can perform comparably as KCL, with a large reduction on computational cost. Also, the proposed methods achieve more effective clustering performance in terms of clustering precision against related approximate clustering approaches. PMID:25528318

  1. An approximation theory for nonlinear partial differential equations with applications to identification and control

    NASA Technical Reports Server (NTRS)

    Banks, H. T.; Kunisch, K.

    1982-01-01

    Approximation results from linear semigroup theory are used to develop a general framework for convergence of approximation schemes in parameter estimation and optimal control problems for nonlinear partial differential equations. These ideas are used to establish theoretical convergence results for parameter identification using modal (eigenfunction) approximation techniques. Results from numerical investigations of these schemes for both hyperbolic and parabolic systems are given.

  2. Second derivatives for approximate spin projection methods

    SciTech Connect

    Thompson, Lee M.; Hratchian, Hrant P.

    2015-02-07

    The use of broken-symmetry electronic structure methods is required in order to obtain correct behavior of electronically strained open-shell systems, such as transition states, biradicals, and transition metals. This approach often has issues with spin contamination, which can lead to significant errors in predicted energies, geometries, and properties. Approximate projection schemes are able to correct for spin contamination and can often yield improved results. To fully make use of these methods and to carry out exploration of the potential energy surface, it is desirable to develop an efficient second energy derivative theory. In this paper, we formulate the analytical second derivatives for the Yamaguchi approximate projection scheme, building on recent work that has yielded an efficient implementation of the analytical first derivatives.

  3. Congruence Approximations for Entrophy Endowed Hyperbolic Systems

    NASA Technical Reports Server (NTRS)

    Barth, Timothy J.; Saini, Subhash (Technical Monitor)

    1998-01-01

    Building upon the standard symmetrization theory for hyperbolic systems of conservation laws, congruence properties of the symmetrized system are explored. These congruence properties suggest variants of several stabilized numerical discretization procedures for hyperbolic equations (upwind finite-volume, Galerkin least-squares, discontinuous Galerkin) that benefit computationally from congruence approximation. Specifically, it becomes straightforward to construct the spatial discretization and Jacobian linearization for these schemes (given a small amount of derivative information) for possible use in Newton's method, discrete optimization, homotopy algorithms, etc. Some examples will be given for the compressible Euler equations and the nonrelativistic MHD equations using linear and quadratic spatial approximation.

  4. ANALOG QUANTUM NEURON FOR FUNCTIONS APPROXIMATION

    SciTech Connect

    A. EZHOV; A. KHROMOV; G. BERMAN

    2001-05-01

    We describe a system able to perform universal stochastic approximations of continuous multivariable functions in both neuron-like and quantum manner. The implementation of this model in the form of multi-barrier multiple-silt system has been earlier proposed. For the simplified waveguide variant of this model it is proved, that the system can approximate any continuous function of many variables. This theorem is also applied to the 2-input quantum neural model analogical to the schemes developed for quantum control.

  5. Novel bivariate moment-closure approximations.

    PubMed

    Krishnarajah, Isthrinayagy; Marion, Glenn; Gibson, Gavin

    2007-08-01

    Nonlinear stochastic models are typically intractable to analytic solutions and hence, moment-closure schemes are used to provide approximations to these models. Existing closure approximations are often unable to describe transient aspects caused by extinction behaviour in a stochastic process. Recent work has tackled this problem in the univariate case. In this study, we address this problem by introducing novel bivariate moment-closure methods based on mixture distributions. Novel closure approximations are developed, based on the beta-binomial, zero-modified distributions and the log-Normal, designed to capture the behaviour of the stochastic SIS model with varying population size, around the threshold between persistence and extinction of disease. The idea of conditional dependence between variables of interest underlies these mixture approximations. In the first approximation, we assume that the distribution of infectives (I) conditional on population size (N) is governed by the beta-binomial and for the second form, we assume that I is governed by zero-modified beta-binomial distribution where in either case N follows a log-Normal distribution. We analyse the impact of coupling and inter-dependency between population variables on the behaviour of the approximations developed. Thus, the approximations are applied in two situations in the case of the SIS model where: (1) the death rate is independent of disease status; and (2) the death rate is disease-dependent. Comparison with simulation shows that these mixture approximations are able to predict disease extinction behaviour and describe transient aspects of the process.

  6. Optical weights and waterfalls in doped charge-transfer insulators: A local density approximation and dynamical mean-field theory study of La2-xSrxCuO4

    NASA Astrophysics Data System (ADS)

    Weber, Cédric; Haule, Kristjan; Kotliar, Gabriel

    2008-10-01

    We use the local density approximation in combination with the dynamical mean-field theory to investigate intermediate energy properties of the copper oxides. We identify coherent and incoherent spectral features that result from doping a charge-transfer insulator, namely quasiparticles, Zhang-Rice singlet band, and the upper and lower Hubbard bands. Angle resolving these features, we identify a waterfall-like feature between the quasiparticle part and the incoherent part of the Zhang-Rice band. We investigate the asymmetry between particle and hole doping. On the hole-doped side, there is a very rapid transfer of spectral weight upon doping in the one particle spectra. The optical spectral weight increases superlinearly on the hole-doped side in agreement with experiments.

  7. Dynamical screening in correlated electron systems—from lattice models to realistic materials

    NASA Astrophysics Data System (ADS)

    Werner, Philipp; Casula, Michele

    2016-09-01

    Recent progress in treating the dynamical nature of the screened Coulomb interaction in strongly correlated lattice models and materials is reviewed with a focus on computational schemes based on the dynamical mean field approximation. We discuss approximate and exact methods for the solution of impurity models with retarded interactions, and explain how these models appear as auxiliary problems in various extensions of the dynamical mean field formalism. The current state of the field is illustrated with results from recent applications of these schemes to U-V Hubbard models and correlated materials.

  8. On Stochastic Approximation.

    ERIC Educational Resources Information Center

    Wolff, Hans

    This paper deals with a stochastic process for the approximation of the root of a regression equation. This process was first suggested by Robbins and Monro. The main result here is a necessary and sufficient condition on the iteration coefficients for convergence of the process (convergence with probability one and convergence in the quadratic…

  9. Optimal approximate doubles

    NASA Astrophysics Data System (ADS)

    Huang, Siendong

    2009-11-01

    The nonlocality of quantum states on a bipartite system \\mathcal {A+B} is tested by comparing probabilistic outcomes of two local observables of different subsystems. For a fixed observable A of the subsystem \\mathcal {A,} its optimal approximate double A' of the other system \\mathcal {B} is defined such that the probabilistic outcomes of A' are almost similar to those of the fixed observable A. The case of σ-finite standard von Neumann algebras is considered and the optimal approximate double A' of an observable A is explicitly determined. The connection between optimal approximate doubles and quantum correlations is explained. Inspired by quantum states with perfect correlation, like Einstein-Podolsky-Rosen states and Bohm states, the nonlocality power of an observable A for general quantum states is defined as the similarity that the outcomes of A look like the properties of the subsystem \\mathcal {B} corresponding to A'. As an application of optimal approximate doubles, maximal Bell correlation of a pure entangled state on \\mathcal {B}(\\mathbb {C}^{2})\\otimes \\mathcal {B}(\\mathbb {C}^{2}) is found explicitly.

  10. Approximating Integrals Using Probability

    ERIC Educational Resources Information Center

    Maruszewski, Richard F., Jr.; Caudle, Kyle A.

    2005-01-01

    As part of a discussion on Monte Carlo methods, which outlines how to use probability expectations to approximate the value of a definite integral. The purpose of this paper is to elaborate on this technique and then to show several examples using visual basic as a programming tool. It is an interesting method because it combines two branches of…

  11. Two level scheme solvers for nuclear spectroscopy

    NASA Astrophysics Data System (ADS)

    Jansson, Kaj; DiJulio, Douglas; Cederkäll, Joakim

    2011-10-01

    A program for building level schemes from γ-spectroscopy coincidence data has been developed. The scheme builder was equipped with two different algorithms: a statistical one based on the Metropolis method and a more logical one, called REMP (REcurse, Merge and Permute), developed from scratch. These two methods are compared both on ideal cases and on experimental γ-ray data sets. The REMP algorithm is based on coincidences and transition energies. Using correct and complete coincidence data, it has solved approximately half a million schemes without failures. Also, for incomplete data and data with minor errors, the algorithm produces consistent sub-schemes when it is not possible to obtain a complete scheme from the provided data.

  12. A generalized function projective synchronization scheme for uncertain chaotic systems subject to input nonlinearities

    NASA Astrophysics Data System (ADS)

    Hamel, Sarah; Boulkroune, Abdesselem

    2016-08-01

    In this paper, a modified generalized function projective synchronization scheme for a class of master-slave chaotic systems subject to dynamic disturbances and input nonlinearities (dead-zone and sector nonlinearities) is investigated. This synchronization system can be seen as a generalization of many existing projective synchronization schemes (namely the function projective synchronization, the modified projective synchronization and so on), in the sense that the master system has a scaling function matrix and the slave system has a scaling factor matrix. To practically achieve this generalized function synchronization, an adaptive fuzzy variable-structure control system is designed. The fuzzy systems are used to appropriately approximate the uncertain nonlinear functions. A Lyapunov approach is employed to prove the boundedness of all signals of the closed-loop control system as well as the exponential convergence of the synchronization errors to an adjustable region. Simulations results are presented to illustrate the effectiveness of the proposed generalized function PS scheme.

  13. Optimizing the Zeldovich approximation

    NASA Technical Reports Server (NTRS)

    Melott, Adrian L.; Pellman, Todd F.; Shandarin, Sergei F.

    1994-01-01

    We have recently learned that the Zeldovich approximation can be successfully used for a far wider range of gravitational instability scenarios than formerly proposed; we study here how to extend this range. In previous work (Coles, Melott and Shandarin 1993, hereafter CMS) we studied the accuracy of several analytic approximations to gravitational clustering in the mildly nonlinear regime. We found that what we called the 'truncated Zeldovich approximation' (TZA) was better than any other (except in one case the ordinary Zeldovich approximation) over a wide range from linear to mildly nonlinear (sigma approximately 3) regimes. TZA was specified by setting Fourier amplitudes equal to zero for all wavenumbers greater than k(sub nl), where k(sub nl) marks the transition to the nonlinear regime. Here, we study the cross correlation of generalized TZA with a group of n-body simulations for three shapes of window function: sharp k-truncation (as in CMS), a tophat in coordinate space, or a Gaussian. We also study the variation in the crosscorrelation as a function of initial truncation scale within each type. We find that k-truncation, which was so much better than other things tried in CMS, is the worst of these three window shapes. We find that a Gaussian window e(exp(-k(exp 2)/2k(exp 2, sub G))) applied to the initial Fourier amplitudes is the best choice. It produces a greatly improved crosscorrelation in those cases which most needed improvement, e.g. those with more small-scale power in the initial conditions. The optimum choice of kG for the Gaussian window is (a somewhat spectrum-dependent) 1 to 1.5 times k(sub nl). Although all three windows produce similar power spectra and density distribution functions after application of the Zeldovich approximation, the agreement of the phases of the Fourier components with the n-body simulation is better for the Gaussian window. We therefore ascribe the success of the best-choice Gaussian window to its superior treatment

  14. A diagonally inverted LU implicit multigrid scheme

    NASA Technical Reports Server (NTRS)

    Yokota, Jeffrey W.; Caughey, David A.; Chima, Rodrick V.

    1988-01-01

    A new Diagonally Inverted LU Implicit scheme is developed within the framework of the multigrid method for the 3-D unsteady Euler equations. The matrix systems that are to be inverted in the LU scheme are treated by local diagonalizing transformations that decouple them into systems of scalar equations. Unlike the Diagonalized ADI method, the time accuracy of the LU scheme is not reduced since the diagonalization procedure does not destroy time conservation. Even more importantly, this diagonalization significantly reduces the computational effort required to solve the LU approximation and therefore transforms it into a more efficient method of numerically solving the 3-D Euler equations.

  15. IONIS: Approximate atomic photoionization intensities

    NASA Astrophysics Data System (ADS)

    Heinäsmäki, Sami

    2012-02-01

    A program to compute relative atomic photoionization cross sections is presented. The code applies the output of the multiconfiguration Dirac-Fock method for atoms in the single active electron scheme, by computing the overlap of the bound electron states in the initial and final states. The contribution from the single-particle ionization matrix elements is assumed to be the same for each final state. This method gives rather accurate relative ionization probabilities provided the single-electron ionization matrix elements do not depend strongly on energy in the region considered. The method is especially suited for open shell atoms where electronic correlation in the ionic states is large. Program summaryProgram title: IONIS Catalogue identifier: AEKK_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEKK_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 1149 No. of bytes in distributed program, including test data, etc.: 12 877 Distribution format: tar.gz Programming language: Fortran 95 Computer: Workstations Operating system: GNU/Linux, Unix Classification: 2.2, 2.5 Nature of problem: Photoionization intensities for atoms. Solution method: The code applies the output of the multiconfiguration Dirac-Fock codes Grasp92 [1] or Grasp2K [2], to compute approximate photoionization intensities. The intensity is computed within the one-electron transition approximation and by assuming that the sum of the single-particle ionization probabilities is the same for all final ionic states. Restrictions: The program gives nonzero intensities for those transitions where only one electron is removed from the initial configuration(s). Shake-type many-electron transitions are not computed. The ionized shell must be closed in the initial state. Running time: Few seconds for a

  16. Frankenstein's glue: transition functions for approximate solutions

    NASA Astrophysics Data System (ADS)

    Yunes, Nicolás

    2007-09-01

    Approximations are commonly employed to find approximate solutions to the Einstein equations. These solutions, however, are usually only valid in some specific spacetime region. A global solution can be constructed by gluing approximate solutions together, but this procedure is difficult because discontinuities can arise, leading to large violations of the Einstein equations. In this paper, we provide an attempt to formalize this gluing scheme by studying transition functions that join approximate analytic solutions together. In particular, we propose certain sufficient conditions on these functions and prove that these conditions guarantee that the joined solution still satisfies the Einstein equations analytically to the same order as the approximate ones. An example is also provided for a binary system of non-spinning black holes, where the approximate solutions are taken to be given by a post-Newtonian expansion and a perturbed Schwarzschild solution. For this specific case, we show that if the transition functions satisfy the proposed conditions, then the joined solution does not contain any violations to the Einstein equations larger than those already inherent in the approximations. We further show that if these functions violate the proposed conditions, then the matter content of the spacetime is modified by the introduction of a matter shell, whose stress energy tensor depends on derivatives of these functions.

  17. PIERNIK MHD code - a multi-fluid, non-ideal extension of the relaxing-TVD scheme (III)

    NASA Astrophysics Data System (ADS)

    Hanasz, M.; Kowalik, K.; Wóltański, D.; Pawłaszek, R.

    2012-09-01

    We present a new multi-fluid, grid MHD code PIERNIK, which is based on the Relaxing TVD scheme (Jin & Xin 1995). The original scheme (see Trac & Pen 2003; Pen et al 2003) has been extended by an addition of dynamically independent, but interacting fluids: dust and a diffusive cosmic ray gas, described within the fluid approximation, with an option to add other fluids in an easy way. The code has been equipped with shearing-box boundary conditions, and a selfgravity module, Ohmic resistivity module, as well as other facilities which are useful in astrophysical fluid-dynamical simulations. The code is parallelized by means of the MPI library. In this paper we present Ohmic resistivity extension of the original Relaxing TVD MHD scheme, and show examples of magnetic reconnection in cases of uniform and current-dependent resistivity prescriptions.

  18. A Trade-off Traitor Tracing Scheme

    NASA Astrophysics Data System (ADS)

    Ohtake, Go; Ogawa, Kazuto; Hanaoka, Goichiro; Imai, Hideki

    There has been a wide-ranging discussion on the issue of content copyright protection in digital content distribution systems. Fiat and Tassa proposed the framework of dynamic traitor tracing. Their framework requires dynamic computation transactions according to the real-time responses of the pirate, and it presumes real-time observation of content redistribution. Therefore, it cannot be simply utilized in an application where such an assumption is not valid. In this paper, we propose a new scheme that provides the advantages of dynamic traitor tracing schemes and also overcomes their problems.

  19. Approximate option pricing

    SciTech Connect

    Chalasani, P.; Saias, I.; Jha, S.

    1996-04-08

    As increasingly large volumes of sophisticated options (called derivative securities) are traded in world financial markets, determining a fair price for these options has become an important and difficult computational problem. Many valuation codes use the binomial pricing model, in which the stock price is driven by a random walk. In this model, the value of an n-period option on a stock is the expected time-discounted value of the future cash flow on an n-period stock price path. Path-dependent options are particularly difficult to value since the future cash flow depends on the entire stock price path rather than on just the final stock price. Currently such options are approximately priced by Monte carlo methods with error bounds that hold only with high probability and which are reduced by increasing the number of simulation runs. In this paper the authors show that pricing an arbitrary path-dependent option is {number_sign}-P hard. They show that certain types f path-dependent options can be valued exactly in polynomial time. Asian options are path-dependent options that are particularly hard to price, and for these they design deterministic polynomial-time approximate algorithms. They show that the value of a perpetual American put option (which can be computed in constant time) is in many cases a good approximation to the value of an otherwise identical n-period American put option. In contrast to Monte Carlo methods, the algorithms have guaranteed error bounds that are polynormally small (and in some cases exponentially small) in the maturity n. For the error analysis they derive large-deviation results for random walks that may be of independent interest.

  20. An adaptive additive inflation scheme for Ensemble Kalman Filters

    NASA Astrophysics Data System (ADS)

    Sommer, Matthias; Janjic, Tijana

    2016-04-01

    Data assimilation for atmospheric dynamics requires an accurate estimate for the uncertainty of the forecast in order to obtain an optimal combination with available observations. This uncertainty has two components, firstly the uncertainty which originates in the the initial condition of that forecast itself and secondly the error of the numerical model used. While the former can be approximated quite successfully with an ensemble of forecasts (an additional sampling error will occur), little is known about the latter. For ensemble data assimilation, ad-hoc methods to address model error include multiplicative and additive inflation schemes, possibly also flow-dependent. The additive schemes rely on samples for the model error e.g. from short-term forecast tendencies or differences of forecasts with varying resolutions. However since these methods work in ensemble space (i.e. act directly on the ensemble perturbations) the sampling error is fixed and can be expected to affect the skill substiantially. In this contribution we show how inflation can be generalized to take into account more degrees of freedom and what improvements for future operational ensemble data assimilation can be expected from this, also in comparison with other inflation schemes.

  1. Convergence of Numerical Approximations for a Non-Newtonian Model of Suspensions

    NASA Astrophysics Data System (ADS)

    Kapustyan, O. V.; Valero, J.; Kasyanov, P. O.; Giménez, A.; Amigó, J. M.

    2015-12-01

    In this paper, we prove the convergence of the numerical approximations of a scalar parabolic equation modeling a non-Newtonian fluid. We use finite-difference schemes and the well-known method of external approximations.

  2. Trefftz difference schemes on irregular stencils

    SciTech Connect

    Tsukerman, Igor

    2010-04-20

    The recently developed Flexible Local Approximation MEthod (FLAME) produces accurate difference schemes by replacing the usual Taylor expansion with Trefftz functions - local solutions of the underlying differential equation. This paper advances and casts in a general form a significant modification of FLAME proposed recently by Pinheiro and Webb: a least-squares fit instead of the exact match of the approximate solution at the stencil nodes. As a consequence of that, FLAME schemes can now be generated on irregular stencils with the number of nodes substantially greater than the number of approximating functions. The accuracy of the method is preserved but its robustness is improved. For demonstration, the paper presents a number of numerical examples in 2D and 3D: electrostatic (magnetostatic) particle interactions, scattering of electromagnetic (acoustic) waves, and wave propagation in a photonic crystal. The examples explore the role of the grid and stencil size, of the number of approximating functions, and of the irregularity of the stencils.

  3. An adaptive critic-based scheme for consensus control of nonlinear multi-agent systems

    NASA Astrophysics Data System (ADS)

    Heydari, Ali; Balakrishnan, S. N.

    2014-12-01

    The problem of decentralised consensus control of a network of heterogeneous nonlinear systems is formulated as an optimal tracking problem and a solution is proposed using an approximate dynamic programming based neurocontroller. The neurocontroller training comprises an initial offline training phase and an online re-optimisation phase to account for the fact that the reference signal subject to tracking is not fully known and available ahead of time, i.e., during the offline training phase. As long as the dynamics of the agents are controllable, and the communication graph has a directed spanning tree, this scheme guarantees the synchronisation/consensus even under switching communication topology and directed communication graph. Finally, an aerospace application is selected for the evaluation of the performance of the method. Simulation results demonstrate the potential of the scheme.

  4. Novel adsorption distillation hybrid scheme for propane/propylene separation

    SciTech Connect

    Kumar, R.; Golden, T.C.; White, T.R.; Rokicki, A. )

    1992-12-01

    A novel adsorption-distillation hybrid scheme is proposed for propane/propylene separation. The suggested scheme has potential for saving up to [approximately]50% energy and [approximately]15-30% in capital costs as compared with current technology. The key concept of the proposed scheme is to separate olefins from alkanes by adsorption and then separate individual olefins and alkanes by simple distillation, thereby eliminating energy intensive and expensive olefin-alkane distillation. A conceptual flow schematic for the proposed hybrid scheme and potential savings are outlined.s

  5. The impact of size distribution assumptions in a bulk one-moment microphysics scheme on simulated surface precipitation and storm dynamics during a low-topped supercell case in Belgium

    SciTech Connect

    Van Weverberg, K.; Van Lipzig, N. P. M.; Delobbe, L.

    2011-04-01

    In this research the impact of modifying the size distribution assumptions of the precipitating hydrometeors in a bulk one-moment microphysics scheme on simulated surface precipitation and storm dynamics has been explored for long-lived low-topped supercells in Belgium. It was shown that weighting the largest precipitating ice species of the microphysics scheme to small graupel results in an increase of surface precipitation because of counteracting effects. On the one hand, the precipitation formation process slowed down, resulting in lower precipitation efficiency. On the other hand, latent heat release associated with freezing favored more intense storms. In contrast to previous studies finding decreased surface precipitation when graupel was present in the microphysics parameterization, storms were rather shallow in the authors simulations. This left little time for graupel sublimation. The impact of size distribution assumptions of snow was found to be small, but more realistic size distribution assumptions of rain led to the strongest effect on surface precipitation. Cold pools shrunk because of weaker rain evaporation at the cold pool boundaries, leading to a decreased surface rain area.

  6. Effect of Prandtl number and computational schemes on the oscillatory natural convection in an enclosure

    SciTech Connect

    Tagawa, Toshio; Ozoe, Hiroyuki

    1996-08-23

    Numerical calculations were carried out for natural convection of low-Prandtl-number fluid. These calculations include the inertial terms that were approximated by six kinds of schemes, i.e., upwind scheme, hybrid scheme, second-order central difference method, Kawamura-Kuwahara scheme, Utopia scheme, and fourth-order central difference method. The average Nusselt number depended significantly on the schemes. The occurrence of oscillatory flow also depended on the schemes for inertial terms. Higher order up-winding approximations for inertial terms appear to be required to calculate natural convection of low-Prandtl-number fluids like liquid metal, even if the Rayleigh number is not large enough.

  7. Multifluid Block-Adaptive-Tree Solar Wind Roe-Type Upwind Scheme: Magnetospheric Composition and Dynamics During Geomagnetic Storms-Initial Results

    NASA Technical Reports Server (NTRS)

    Glocer, A.; Toth, G.; Ma, Y.; Gombosi, T.; Zhang, J.-C.; Kistler, L. M.

    2009-01-01

    The magnetosphere contains a significant amount of ionospheric O+, particularly during geomagnetically active times. The presence of ionospheric plasma in the magnetosphere has a notable impact on magnetospheric composition and processes. We present a new multifluid MHD version of the Block-Adaptive-Tree Solar wind Roe-type Upwind Scheme model of the magnetosphere to track the fate and consequences of ionospheric outflow. The multifluid MHD equations are presented as are the novel techniques for overcoming the formidable challenges associated with solving them. Our new model is then applied to the May 4, 1998 and March 31, 2001 geomagnetic storms. The results are juxtaposed with traditional single-fluid MHD and multispecies MHD simulations from a previous study, thereby allowing us to assess the benefits of using a more complex model with additional physics. We find that our multifluid MHD model (with outflow) gives comparable results to the multispecies MHD model (with outflow), including a more strongly negative Dst, reduced CPCP, and a drastically improved magnetic field at geosynchronous orbit, as compared to single-fluid MHD with no outflow. Significant differences in composition and magnetic field are found between the multispecies and multifluid approach further away from the Earth. We further demonstrate the ability to explore pressure and bulk velocity differences between H+ and O+, which is not possible when utilizing the other techniques considered

  8. Asynchronous Communication Scheme For Hypercube Computer

    NASA Technical Reports Server (NTRS)

    Madan, Herb S.

    1988-01-01

    Scheme devised for asynchronous-message communication system for Mark III hypercube concurrent-processor network. Network consists of up to 1,024 processing elements connected electrically as though were at corners of 10-dimensional cube. Each node contains two Motorola 68020 processors along with Motorola 68881 floating-point processor utilizing up to 4 megabytes of shared dynamic random-access memory. Scheme intended to support applications requiring passage of both polled or solicited and unsolicited messages.

  9. On nonstandard finite difference schemes in biosciences

    NASA Astrophysics Data System (ADS)

    Anguelov, R.; Dumont, Y.; Lubuma, J. M.-S.

    2012-10-01

    We design, analyze and implement nonstandard finite difference (NSFD) schemes for some differential models in biosciences. The NSFD schemes are reliable in three directions. They are topologically dynamically consistent for onedimensional models. They can replicate the global asymptotic stability of the disease-free equilibrium of the MSEIR model in epidemiology whenever the basic reproduction number is less than 1. They preserve the positivity and boundedness property of solutions of advection-reaction and reaction-diffusion equations.

  10. A high-order WENO-based staggered Godunov-type scheme with constrained transport for force-free electrodynamics

    NASA Astrophysics Data System (ADS)

    Yu, Cong

    2011-03-01

    The force-free (or low inertia) limit of magnetohydrodynamics (MHD) can be applied to many astrophysical objects, including black holes, neutron stars and accretion discs, where the electromagnetic field is so strong that the inertia and pressure of the plasma can be ignored. This is difficult to achieve with the standard MHD numerical methods because they still have to deal with plasma inertial terms even when these terms are much smaller than the electromagnetic terms. Under the force-free approximation, the plasma dynamics is entirely determined by the magnetic field. The plasma provides the currents and charge densities required by the dynamics of electromagnetic fields, but these currents carry no inertia. We present a high-order Godunov scheme to study such force-free electrodynamics. We have implemented weighted essentially non-oscillatory (WENO) spatial interpolations in our scheme. An exact Riemann solver is implemented, which requires spectral decomposition into characteristic waves. We advance the magnetic field with the constrained transport (CT) scheme to preserve the divergence-free condition to machine round-off error. We apply the third-order total variation diminishing (TVD) Runge-Kutta scheme for the temporal integration. The mapping from face-centred variables to volume-centred variables is carefully considered. Extensive testing are performed to demonstrate the ability of our scheme to address force-free electrodynamics correctly. We finally apply the scheme to study relativistic magnetically dominated tearing instabilities and neutron star magnetospheres.

  11. An Initial Investigation of the Effects of Turbulence Models on the Convergence of the RK/Implicit Scheme

    NASA Technical Reports Server (NTRS)

    Swanson, R. C.; Rossow, C.-C.

    2008-01-01

    A three-stage Runge-Kutta (RK) scheme with multigrid and an implicit preconditioner has been shown to be an effective solver for the fluid dynamic equations. This scheme has been applied to both the compressible and essentially incompressible Reynolds-averaged Navier-Stokes (RANS) equations using the algebraic turbulence model of Baldwin and Lomax (BL). In this paper we focus on the convergence of the RK/implicit scheme when the effects of turbulence are represented by either the Spalart-Allmaras model or the Wilcox k-! model, which are frequently used models in practical fluid dynamic applications. Convergence behavior of the scheme with these turbulence models and the BL model are directly compared. For this initial investigation we solve the flow equations and the partial differential equations of the turbulence models indirectly coupled. With this approach we examine the convergence behavior of each system. Both point and line symmetric Gauss-Seidel are considered for approximating the inverse of the implicit operator of the flow solver. To solve the turbulence equations we use a diagonally dominant alternating direction implicit (DDADI) scheme. Computational results are presented for three airfoil flow cases and comparisons are made with experimental data. We demonstrate that the two-dimensional RANS equations and transport-type equations for turbulence modeling can be efficiently solved with an indirectly coupled algorithm that uses the RK/implicit scheme for the flow equations.

  12. Approximating metal-insulator transitions

    NASA Astrophysics Data System (ADS)

    Danieli, Carlo; Rayanov, Kristian; Pavlov, Boris; Martin, Gaven; Flach, Sergej

    2015-12-01

    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-André 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.

  13. New generalized gradient approximation functionals

    NASA Astrophysics Data System (ADS)

    Boese, A. Daniel; Doltsinis, Nikos L.; Handy, Nicholas C.; Sprik, Michiel

    2000-01-01

    New generalized gradient approximation (GGA) functionals are reported, using the expansion form of A. D. Becke, J. Chem. Phys. 107, 8554 (1997), with 15 linear parameters. Our original such GGA functional, called HCTH, was determined through a least squares refinement to data of 93 systems. Here, the data are extended to 120 systems and 147 systems, introducing electron and proton affinities, and weakly bound dimers to give the new functionals HCTH/120 and HCTH/147. HCTH/120 has already been shown to give high quality predictions for weakly bound systems. The functionals are applied in a comparative study of the addition reaction of water to formaldehyde and sulfur trioxide, respectively. Furthermore, the performance of the HCTH/120 functional in Car-Parrinello molecular dynamics simulations of liquid water is encouraging.

  14. Subranging scheme for SQUID sensors

    NASA Technical Reports Server (NTRS)

    Penanen, Konstantin I. (Inventor)

    2008-01-01

    A readout scheme for measuring the output from a SQUID-based sensor-array using an improved subranging architecture that includes multiple resolution channels (such as a coarse resolution channel and a fine resolution channel). The scheme employs a flux sensing circuit with a sensing coil connected in series to multiple input coils, each input coil being coupled to a corresponding SQUID detection circuit having a high-resolution SQUID device with independent linearizing feedback. A two-resolution configuration (course and fine) is illustrated with a primary SQUID detection circuit for generating a fine readout, and a secondary SQUID detection circuit for generating a course readout, both having feedback current coupled to the respective SQUID devices via feedback/modulation coils. The primary and secondary SQUID detection circuits function and derive independent feedback. Thus, the SQUID devices may be monitored independently of each other (and read simultaneously) to dramatically increase slew rates and dynamic range.

  15. Statistically testing the validity of analytical and computational approximations to the chemical master equation.

    PubMed

    Jenkinson, Garrett; Goutsias, John

    2013-05-28

    The master equation is used extensively to model chemical reaction systems with stochastic dynamics. However, and despite its phenomenological simplicity, it is not in general possible to compute the solution of this equation. Drawing exact samples from the master equation is possible, but can be computationally demanding, especially when estimating high-order statistical summaries or joint probability distributions. As a consequence, one often relies on analytical approximations to the solution of the master equation or on computational techniques that draw approximative samples from this equation. Unfortunately, it is not in general possible to check whether a particular approximation scheme is valid. The main objective of this paper is to develop an effective methodology to address this problem based on statistical hypothesis testing. By drawing a moderate number of samples from the master equation, the proposed techniques use the well-known Kolmogorov-Smirnov statistic to reject the validity of a given approximation method or accept it with a certain level of confidence. Our approach is general enough to deal with any master equation and can be used to test the validity of any analytical approximation method or any approximative sampling technique of interest. A number of examples, based on the Schlögl model of chemistry and the SIR model of epidemiology, clearly illustrate the effectiveness and potential of the proposed statistical framework.

  16. Approximate strip exchanging.

    PubMed

    Roy, Swapnoneel; Thakur, Ashok Kumar

    2008-01-01

    Genome rearrangements have been modelled by a variety of primitives such as reversals, transpositions, block moves and block interchanges. We consider such a genome rearrangement primitive Strip Exchanges. Given a permutation, the challenge is to sort it by using minimum number of strip exchanges. A strip exchanging move interchanges the positions of two chosen strips so that they merge with other strips. The strip exchange problem is to sort a permutation using minimum number of strip exchanges. We present here the first non-trivial 2-approximation algorithm to this problem. We also observe that sorting by strip-exchanges is fixed-parameter-tractable. Lastly we discuss the application of strip exchanges in a different area Optical Character Recognition (OCR) with an example.

  17. Hierarchical Approximate Bayesian Computation

    PubMed Central

    Turner, Brandon M.; Van Zandt, Trisha

    2013-01-01

    Approximate Bayesian computation (ABC) is a powerful technique for estimating the posterior distribution of a model’s parameters. It is especially important when the model to be fit has no explicit likelihood function, which happens for computational (or simulation-based) models such as those that are popular in cognitive neuroscience and other areas in psychology. However, ABC is usually applied only to models with few parameters. Extending ABC to hierarchical models has been difficult because high-dimensional hierarchical models add computational complexity that conventional ABC cannot accommodate. In this paper we summarize some current approaches for performing hierarchical ABC and introduce a new algorithm called Gibbs ABC. This new algorithm incorporates well-known Bayesian techniques to improve the accuracy and efficiency of the ABC approach for estimation of hierarchical models. We then use the Gibbs ABC algorithm to estimate the parameters of two models of signal detection, one with and one without a tractable likelihood function. PMID:24297436

  18. Suboptimal schemes for atmospheric data assimilation based on the Kalman filter

    NASA Technical Reports Server (NTRS)

    Todling, Ricardo; Cohn, Stephen E.

    1994-01-01

    This work is directed toward approximating the evolution of forecast error covariances for data assimilation. The performance of different algorithms based on simplification of the standard Kalman filter (KF) is studied. These are suboptimal schemes (SOSs) when compared to the KF, which is optimal for linear problems with known statistics. The SOSs considered here are several versions of optimal interpolation (OI), a scheme for height error variance advection, and a simplified KF in which the full height error covariance is advected. To employ a methodology for exact comparison among these schemes, a linear environment is maintained, in which a beta-plane shallow-water model linearized about a constant zonal flow is chosen for the test-bed dynamics. The results show that constructing dynamically balanced forecast error covariances rather than using conventional geostrophically balanced ones is essential for successful performance of any SOS. A posteriori initialization of SOSs to compensate for model - data imbalance sometimes results in poor performance. Instead, properly constructed dynamically balanced forecast error covariances eliminate the need for initialization. When the SOSs studied here make use of dynamically balanced forecast error covariances, the difference among their performances progresses naturally from conventional OI to the KF. In fact, the results suggest that even modest enhancements of OI, such as including an approximate dynamical equation for height error variances while leaving height error correlation structure homogeneous, go a long way toward achieving the performance of the KF, provided that dynamically balanced cross-covariances are constructed and that model errors are accounted for properly. The results indicate that such enhancements are necessary if unconventional data are to have a positive impact.

  19. Triangle based TVD schemes for hyperbolic conservation laws

    NASA Technical Reports Server (NTRS)

    Durlofsky, Louis J.; Osher, Stanley; Engquist, Bjorn

    1990-01-01

    A triangle based total variation diminishing (TVD) scheme for the numerical approximation of hyperbolic conservation laws in two space dimensions is constructed. The novelty of the scheme lies in the nature of the preprocessing of the cell averaged data, which is accomplished via a nearest neighbor linear interpolation followed by a slope limiting procedures. Two such limiting procedures are suggested. The resulting method is considerably more simple than other triangle based non-oscillatory approximations which, like this scheme, approximate the flux up to second order accuracy. Numerical results for linear advection and Burgers' equation are presented.

  20. Quantifying the impacts of land surface schemes and dynamic vegetation on the model dependency of projected changes in surface energy and water budgets

    NASA Astrophysics Data System (ADS)

    Yu, Miao; Wang, Guiling; Chen, Haishan

    2016-03-01

    Assessing and quantifying the uncertainties in projected future changes of energy and water budgets over land surface are important steps toward improving our confidence in climate change projections. In this study, the contribution of land surface models to the inter-GCM variation of projected future changes in land surface energy and water fluxes are assessed based on output from 19 global climate models (GCMs) and offline Community Land Model version 4 (CLM4) simulations driven by meteorological forcing from the 19 GCMs. Similar offline simulations using CLM4 with its dynamic vegetation submodel are also conducted to investigate how dynamic vegetation feedback, a process that is being added to more earth system models, may amplify or moderate the intermodel variations of projected future changes. Projected changes are quantified as the difference between the 2081-2100 period from the Representative Concentration Pathway 8.5 (RCP8.5) future experiment and the 1981-2000 period from the historical simulation. Under RCP8.5, projected changes in surface water and heat fluxes show a high degree of model dependency across the globe. Although precipitation is very likely to increase in the high latitudes of the Northern Hemisphere, a high degree of model-related uncertainty exists for evapotranspiration, soil water content, and surface runoff, suggesting discrepancy among land surface models (LSMs) in simulating the surface hydrological processes and snow-related processes. Large model-related uncertainties for the surface water budget also exist in the Tropics including southeastern South America and Central Africa. These uncertainties would be reduced in the hypothetical scenario of a single near-perfect land surface model being used across all GCMs, suggesting the potential to reduce uncertainties through the use of more consistent approaches toward land surface model development. Under such a scenario, the most significant reduction is likely to be seen in the

  1. Quantifying the impacts of land surface schemes and dynamic vegetation on the model dependency of projected changes in surface energy and water budgets

    DOE PAGES

    Yu, Miao; Wang, Guiling; Chen, Haishan

    2016-03-01

    Assessing and quantifying the uncertainties in projected future changes of energy and water budgets over land surface are important steps toward improving our confidence in climate change projections. In our study, the contribution of land surface models to the inter-GCM variation of projected future changes in land surface energy and water fluxes are assessed based on output from 19 global climate models (GCMs) and offline Community Land Model version 4 (CLM4) simulations driven by meteorological forcing from the 19 GCMs. Similar offline simulations using CLM4 with its dynamic vegetation submodel are also conducted to investigate how dynamic vegetation feedback, amore » process that is being added to more earth system models, may amplify or moderate the intermodel variations of projected future changes. Projected changes are quantified as the difference between the 2081–2100 period from the Representative Concentration Pathway 8.5 (RCP8.5) future experiment and the 1981–2000 period from the historical simulation. Under RCP8.5, projected changes in surface water and heat fluxes show a high degree of model dependency across the globe. Although precipitation is very likely to increase in the high latitudes of the Northern Hemisphere, a high degree of model-related uncertainty exists for evapotranspiration, soil water content, and surface runoff, suggesting discrepancy among land surface models (LSMs) in simulating the surface hydrological processes and snow-related processes. Large model-related uncertainties for the surface water budget also exist in the Tropics including southeastern South America and Central Africa. Moreover, these uncertainties would be reduced in the hypothetical scenario of a single near-perfect land surface model being used across all GCMs, suggesting the potential to reduce uncertainties through the use of more consistent approaches toward land surface model development. Under such a scenario, the most significant reduction is likely to

  2. On the convergence of difference approximations to scalar conservation laws

    NASA Technical Reports Server (NTRS)

    Osher, S.; Tadmor, E.

    1985-01-01

    A unified treatment of explicit in time, two level, second order resolution, total variation diminishing, approximations to scalar conservation laws are presented. The schemes are assumed only to have conservation form and incremental form. A modified flux and a viscosity coefficient are introduced and results in terms of the latter are obtained. The existence of a cell entropy inequality is discussed and such an equality for all entropies is shown to imply that the scheme is an E scheme on monotone (actually more general) data, hence at most only first order accurate in general. Convergence for total variation diminishing-second order resolution schemes approximating convex or concave conservation laws is shown by enforcing a single discrete entropy inequality.

  3. On the convergence of difference approximations to scalar conservation laws

    NASA Technical Reports Server (NTRS)

    Osher, Stanley; Tadmor, Eitan

    1988-01-01

    A unified treatment is given for time-explicit, two-level, second-order-resolution (SOR), total-variation-diminishing (TVD) approximations to scalar conservation laws. The schemes are assumed only to have conservation form and incremental form. A modified flux and a viscosity coefficient are introduced to obtain results in terms of the latter. The existence of a cell entropy inequality is discussed, and such an equality for all entropies is shown to imply that the scheme is an E scheme on monotone (actually more general) data, hence at most only first-order accurate in general. Convergence for TVD-SOR schemes approximating convex or concave conservation laws is shown by enforcing a single discrete entropy inequality.

  4. Integrating a hive triangle pattern with subpixel analysis for noncontact measurement of structural dynamic response by using a novel image processing scheme.

    PubMed

    Lu, Yung-Chi; Hung, Shih-Lin; Lin, Tzu-Hsuan

    2014-01-01

    This work presents a digital image processing approach with a unique hive triangle pattern by integrating subpixel analysis for noncontact measurement of structural dynamic response data. Feasibility of proposed approach is demonstrated based on numerical simulation of a photography experiment. According to those results, the measured time-history displacement of simulated image correlates well with the numerical solution. A small three-story frame is then mounted on a small shaker table, and a linear variation differential transformation (LVDT) is set on the second floor. Experimental results indicate that the relative error between data from LVDT and analyzed data from digital image correlation is below 0.007%, 0.0205 in terms of frequency and displacement, respectively. Additionally, the appropriate image block affects the estimation accuracy of the measurement system. Importantly, the proposed approach for evaluating pattern center and size is highly promising for use in assigning the adaptive block for a digital image correlation method. PMID:24955396

  5. JOURNAL SCOPE GUIDELINES: Paper classification scheme

    NASA Astrophysics Data System (ADS)

    2005-06-01

    This scheme is used to clarify the journal's scope and enable authors and readers to more easily locate the appropriate section for their work. For each of the sections listed in the scope statement we suggest some more detailed subject areas which help define that subject area. These lists are by no means exhaustive and are intended only as a guide to the type of papers we envisage appearing in each section. We acknowledge that no classification scheme can be perfect and that there are some papers which might be placed in more than one section. We are happy to provide further advice on paper classification to authors upon request (please email jphysa@iop.org). 1. Statistical physics numerical and computational methods statistical mechanics, phase transitions and critical phenomena quantum condensed matter theory Bose-Einstein condensation strongly correlated electron systems exactly solvable models in statistical mechanics lattice models, random walks and combinatorics field-theoretical models in statistical mechanics disordered systems, spin glasses and neural networks nonequilibrium systems network theory 2. Chaotic and complex systems nonlinear dynamics and classical chaos fractals and multifractals quantum chaos classical and quantum transport cellular automata granular systems and self-organization pattern formation biophysical models 3. Mathematical physics combinatorics algebraic structures and number theory matrix theory classical and quantum groups, symmetry and representation theory Lie algebras, special functions and orthogonal polynomials ordinary and partial differential equations difference and functional equations integrable systems soliton theory functional analysis and operator theory inverse problems geometry, differential geometry and topology numerical approximation and analysis geometric integration computational methods 4. Quantum mechanics and quantum information theory coherent states eigenvalue problems supersymmetric quantum mechanics

  6. Three Approximate Entropies

    NASA Astrophysics Data System (ADS)

    Lubkin, Elihu

    2002-04-01

    In 1993,(E. & T. Lubkin, Int.J.Theor.Phys. 32), 993 (1993) we gave exact mean trace of squared density matrix P for 3 models of an n-dimensional part of an nK-dimensional pure state. Models named: random nK ket (Haar); pure-pure driven by random Hamiltonian (Gauss); Gauss with n,K coupling reset small (weak). Neglecting higher powers of P gives the approximation: ln(n)- defines deficit = (n - 1)/2 which yields deficits, Haar: n((n+K)/(nK+1) - 1)/2 = ( n - 1/n - 1/K + 1/nnK )/2K + Order(f[n] / KKK); Gauss: (n/2)( (n+K)/(nK+1) + 2(nK+1-n-K)/nK(nK+1)(nK+3)) - 1/2 = ( n - 1/n - 1/K + 2/nK - 1/nnK )/2K + Order( f[n]/KKK ); weak: (n/2)(2(K+n)/((K+1)(n+1))) - 1/2 = (n/(n+1))(1 + (n-1)/K - (n-1)/KK + Order(f[n]/KKK)) - 1/2 [unreliable]. These would stay poor even as Karrow∞ unless deficit << 1 bit. Haar and Gauss come out good, but weak has too large a deficit. Though many authors (beginning with Don Page(D.N.Page, PRL 71), 1291 (1993)) have found the exact for Haar, I haven't yet seen exact for Gauss or for weak.

  7. Approximation by hinge functions

    SciTech Connect

    Faber, V.

    1997-05-01

    Breiman has defined {open_quotes}hinge functions{close_quotes} for use as basis functions in least squares approximations to data. A hinge function is the max (or min) function of two linear functions. In this paper, the author assumes the existence of smooth function f(x) and a set of samples of the form (x, f(x)) drawn from a probability distribution {rho}(x). The author hopes to find the best fitting hinge function h(x) in the least squares sense. There are two problems with this plan. First, Breiman has suggested an algorithm to perform this fit. The author shows that this algorithm is not robust and also shows how to create examples on which the algorithm diverges. Second, if the author tries to use the data to minimize the fit in the usual discrete least squares sense, the functional that must be minimized is continuous in the variables, but has a derivative which jumps at the data. This paper takes a different approach. This approach is an example of a method that the author has developed called {open_quotes}Monte Carlo Regression{close_quotes}. (A paper on the general theory is in preparation.) The author shall show that since the function f is continuous, the analytic form of the least squares equation is continuously differentiable. A local minimum is solved for by using Newton`s method, where the entries of the Hessian are estimated directly from the data by Monte Carlo. The algorithm has the desirable properties that it is quadratically convergent from any starting guess sufficiently close to a solution and that each iteration requires only a linear system solve.

  8. The Cell Cycle Switch Computes Approximate Majority

    NASA Astrophysics Data System (ADS)

    Cardelli, Luca; Csikász-Nagy, Attila

    2012-09-01

    Both computational and biological systems have to make decisions about switching from one state to another. The `Approximate Majority' computational algorithm provides the asymptotically fastest way to reach a common decision by all members of a population between two possible outcomes, where the decision approximately matches the initial relative majority. The network that regulates the mitotic entry of the cell-cycle in eukaryotes also makes a decision before it induces early mitotic processes. Here we show that the switch from inactive to active forms of the mitosis promoting Cyclin Dependent Kinases is driven by a system that is related to both the structure and the dynamics of the Approximate Majority computation. We investigate the behavior of these two switches by deterministic, stochastic and probabilistic methods and show that the steady states and temporal dynamics of the two systems are similar and they are exchangeable as components of oscillatory networks.

  9. Minimal dissipation hybrid bicompact schemes for hyperbolic equations

    NASA Astrophysics Data System (ADS)

    Bragin, M. D.; Rogov, B. V.

    2016-06-01

    New monotonicity-preserving hybrid schemes are proposed for multidimensional hyperbolic equations. They are convex combinations of high-order accurate central bicompact schemes and upwind schemes of first-order accuracy in time and space. The weighting coefficients in these combinations depend on the local difference between the solutions produced by the high- and low-order accurate schemes at the current space-time point. The bicompact schemes are third-order accurate in time, while having the fourth order of accuracy and the first difference order in space. At every time level, they can be solved by marching in each spatial variable without using spatial splitting. The upwind schemes have minimal dissipation among all monotone schemes constructed on a minimum space-time stencil. The hybrid schemes constructed has been successfully tested as applied to a number of two-dimensional gas dynamics benchmark problems.

  10. Compact finite difference schemes with spectral-like resolution

    NASA Technical Reports Server (NTRS)

    Lele, Sanjiva K.

    1992-01-01

    The present finite-difference schemes for the evaluation of first-order, second-order, and higher-order derivatives yield improved representation of a range of scales and may be used on nonuniform meshes. Various boundary conditions may be invoked, and both accurate interpolation and spectral-like filtering can be accomplished by means of schemes for derivatives at mid-cell locations. This family of schemes reduces to the Pade schemes when the maximal formal accuracy constraint is imposed with a specific computational stencil. Attention is given to illustrative applications of these schemes in fluid dynamics.

  11. An approximate Kalman filter for ocean data assimilation: An example with an idealized Gulf Stream model

    NASA Technical Reports Server (NTRS)

    Fukumori, Ichiro; Malanotte-Rizzoli, Paola

    1995-01-01

    A practical method of data assimilation for use with large, nonlinear, ocean general circulation models is explored. A Kalman filter based on approximation of the state error covariance matrix is presented, employing a reduction of the effective model dimension, the error's asymptotic steady state limit, and a time-invariant linearization of the dynamic model for the error integration. The approximations lead to dramatic computational savings in applying estimation theory to large complex systems. We examine the utility of the approximate filter in assimilating different measurement types using a twin experiment of an idealized Gulf Stream. A nonlinear primitive equation model of an unstable east-west jet is studied with a state dimension exceeding 170,000 elements. Assimilation of various pseudomeasurements are examined, including velocity, density, and volume transport at localized arrays and realistic distributions of satellite altimetry and acoustic tomography observations. Results are compared in terms of their effects on the accuracies of the estimation. The approximate filter is shown to outperform an empirical nudging scheme used in a previous study. The examples demonstrate that useful approximate estimation errors can be computed in a practical manner for general circulation models.

  12. Dynamics and controls of urban heat sink and island phenomena in a desert city: Development of a local climate zone scheme using remotely-sensed inputs

    NASA Astrophysics Data System (ADS)

    Nassar, Ahmed K.; Blackburn, G. Alan; Whyatt, J. Duncan

    2016-09-01

    This study aims to determine the dynamics and controls of Surface Urban Heat Sinks (SUHS) and Surface Urban Heat Islands (SUHI) in desert cities, using Dubai as a case study. A Local Climate Zone (LCZ) schema was developed to subdivide the city into different zones based on similarities in land cover and urban geometry. Proximity to the Gulf Coast was also determined for each LCZ. The LCZs were then used to sample seasonal and daily imagery from the MODIS thermal sensor to determine Land Surface Temperature (LST) variations relative to desert sand. Canonical correlation techniques were then applied to determine which factors explained the variability between urban and desert LST. Our results indicate that the daytime SUHS effect is greatest during the summer months (typically ∼3.0 °C) with the strongest cooling effects in open high-rise zones of the city. In contrast, the night-time SUHI effect is greatest during the winter months (typically ∼3.5 °C) with the strongest warming effects in compact mid-rise zones of the city. Proximity to the Arabian Gulf had the largest influence on both SUHS and SUHI phenomena, promoting daytime cooling in the summer months and night-time warming in the winter months. However, other parameters associated with the urban environment such as building height had an influence on daytime cooling, with larger buildings promoting shade and variations in airflow. Likewise, other parameters such as sky view factor contributed to night-time warming, with higher temperatures associated with limited views of the sky.

  13. Towards an "All Speed" Unstructured Upwind Scheme

    NASA Technical Reports Server (NTRS)

    Loh, Ching Y.; Jorgenson, Philip C.E.

    2009-01-01

    In the authors previous studies [1], a time-accurate, upwind finite volume method (ETAU scheme) for computing compressible flows on unstructured grids was proposed. The scheme is second order accurate in space and time and yields high resolution in the presence of discontinuities. The scheme features a multidimensional limiter and multidimensional numerical dissipation. These help to stabilize the numerical process and to overcome the annoying pathological behaviors of upwind schemes. In the present paper, it will be further shown that such multidimensional treatments also lead to a nearly all-speed or Mach number insensitive upwind scheme. For flows at very high Mach number, e.g., 10, local numerical instabilities or the pathological behaviors are suppressed, while for flows at very low Mach number, e.g., 0.02, computation can be directly carried out without invoking preconditioning. For flows in different Mach number regimes, i.e., low, medium, and high Mach numbers, one only needs to adjust one or two parameters in the scheme. Several examples with low and high Mach numbers are demonstrated in this paper. Thus, the ETAU scheme is applicable to a broad spectrum of flow regimes ranging from high supersonic to low subsonic, appropriate for both CFD (computational fluid dynamics) and CAA (computational aeroacoustics).

  14. Tabled Execution in Scheme

    SciTech Connect

    Willcock, J J; Lumsdaine, A; Quinlan, D J

    2008-08-19

    Tabled execution is a generalization of memorization developed by the logic programming community. It not only saves results from tabled predicates, but also stores the set of currently active calls to them; tabled execution can thus provide meaningful semantics for programs that seemingly contain infinite recursions with the same arguments. In logic programming, tabled execution is used for many purposes, both for improving the efficiency of programs, and making tasks simpler and more direct to express than with normal logic programs. However, tabled execution is only infrequently applied in mainstream functional languages such as Scheme. We demonstrate an elegant implementation of tabled execution in Scheme, using a mix of continuation-passing style and mutable data. We also show the use of tabled execution in Scheme for a problem in formal language and automata theory, demonstrating that tabled execution can be a valuable tool for Scheme users.

  15. The NEC Link Scheme

    ERIC Educational Resources Information Center

    Noakes, Peter

    1976-01-01

    Describes the operation of the National Electronics Council (NEC) Link Scheme for schools in Great Britain. The service is intended to provide technical assistance, information concerning surplus equipment, and guest speakers for school aspiring professional electronic counsel. (CP)

  16. Total Variation Diminishing (TVD) schemes of uniform accuracy

    NASA Technical Reports Server (NTRS)

    Hartwich, PETER-M.; Hsu, Chung-Hao; Liu, C. H.

    1988-01-01

    Explicit second-order accurate finite-difference schemes for the approximation of hyperbolic conservation laws are presented. These schemes are nonlinear even for the constant coefficient case. They are based on first-order upwind schemes. Their accuracy is enhanced by locally replacing the first-order one-sided differences with either second-order one-sided differences or central differences or a blend thereof. The appropriate local difference stencils are selected such that they give TVD schemes of uniform second-order accuracy in the scalar, or linear systems, case. Like conventional TVD schemes, the new schemes avoid a Gibbs phenomenon at discontinuities of the solution, but they do not switch back to first-order accuracy, in the sense of truncation error, at extrema of the solution. The performance of the new schemes is demonstrated in several numerical tests.

  17. Well-balanced schemes for the Euler equations with gravitation

    NASA Astrophysics Data System (ADS)

    Käppeli, R.; Mishra, S.

    2014-02-01

    Well-balanced high-order finite volume schemes are designed to approximate the Euler equations with gravitation. The schemes preserve discrete equilibria, corresponding to a large class of physically stable hydrostatic steady states. Based on a novel local hydrostatic reconstruction, the derived schemes are well-balanced for any consistent numerical flux for the Euler equations. The form of the hydrostatic reconstruction is both very simple and computationally efficient as it requires no analytical or numerical integration. Moreover, as required by many interesting astrophysical scenarios, the schemes are applicable beyond the ideal gas law. Both first- and second-order accurate versions of the schemes and their extension to multi-dimensional equilibria are presented. Several numerical experiments demonstrating the superior performance of the well-balanced schemes, as compared to standard finite volume schemes, are also presented.

  18. An adaptive Cartesian control scheme for manipulators

    NASA Technical Reports Server (NTRS)

    Seraji, H.

    1987-01-01

    A adaptive control scheme for direct control of manipulator end-effectors to achieve trajectory tracking in Cartesian space is developed. The control structure is obtained from linear multivariable theory and is composed of simple feedforward and feedback controllers and an auxiliary input. The direct adaptation laws are derived from model reference adaptive control theory and are not based on parameter estimation of the robot model. The utilization of feedforward control and the inclusion of auxiliary input are novel features of the present scheme and result in improved dynamic performance over existing adaptive control schemes. The adaptive controller does not require the complex mathematical model of the robot dynamics or any knowledge of the robot parameters or the payload, and is computationally fast for online implementation with high sampling rates.

  19. Approximation of virus structure by icosahedral tilings.

    PubMed

    Salthouse, D G; Indelicato, G; Cermelli, P; Keef, T; Twarock, R

    2015-07-01

    Viruses are remarkable examples of order at the nanoscale, exhibiting protein containers that in the vast majority of cases are organized with icosahedral symmetry. Janner used lattice theory to provide blueprints for the organization of material in viruses. An alternative approach is provided here in terms of icosahedral tilings, motivated by the fact that icosahedral symmetry is non-crystallographic in three dimensions. In particular, a numerical procedure is developed to approximate the capsid of icosahedral viruses by icosahedral tiles via projection of high-dimensional tiles based on the cut-and-project scheme for the construction of three-dimensional quasicrystals. The goodness of fit of our approximation is assessed using techniques related to the theory of polygonal approximation of curves. The approach is applied to a number of viral capsids and it is shown that detailed features of the capsid surface can indeed be satisfactorily described by icosahedral tilings. This work complements previous studies in which the geometry of the capsid is described by point sets generated as orbits of extensions of the icosahedral group, as such point sets are by construction related to the vertex sets of icosahedral tilings. The approximations of virus geometry derived here can serve as coarse-grained models of viral capsids as a basis for the study of virus assembly and structural transitions of viral capsids, and also provide a new perspective on the design of protein containers for nanotechnology applications. PMID:26131897

  20. Finite-volume application of high-order ENO schemes to two-dimensional boundary-value problems

    NASA Technical Reports Server (NTRS)

    Casper, Jay

    1991-01-01

    Finite-volume applications of high-order accurate ENO schemes to two-dimensional boundary-value problems are studied. These schemes achieve high-order spatial accuracy, in smooth regions, by a piecewise polynomial approximation of the solution from cell averages. In addition, this spatial operation involves an adaptive stencil algorithm in order to avoid the oscillatory behavior that is associated with interpolation across steep gradients. High-order TVD Runge-Kutta methods are employed for time integration, thus making these schemes best suited for unsteady problems. Fifth- and sixth-order accurate applications are validated through a grid refinement study involving the solutions of scalar hyperbolic equations. A previously proposed extension for the Euler equations of gas dynamics is tested, including its application to solutions of boundary-value problems involving solid walls and curvilinear coordinates.

  1. Quantum analysis applied to thermo field dynamics on dissipative systems

    SciTech Connect

    Hashizume, Yoichiro; Okamura, Soichiro; Suzuki, Masuo

    2015-03-10

    Thermo field dynamics is one of formulations useful to treat statistical mechanics in the scheme of field theory. In the present study, we discuss dissipative thermo field dynamics of quantum damped harmonic oscillators. To treat the effective renormalization of quantum dissipation, we use the Suzuki-Takano approximation. Finally, we derive a dissipative von Neumann equation in the Lindbrad form. In the present treatment, we can easily obtain the initial damping shown previously by Kubo.

  2. Robustness of controllers designed using Galerkin type approximations

    NASA Technical Reports Server (NTRS)

    Morris, K. A.

    1990-01-01

    One of the difficulties in designing controllers for infinite-dimensional systems arises from attempting to calculate a state for the system. It is shown that Galerkin type approximations can be used to design controllers which will perform as designed when implemented on the original infinite-dimensional system. No assumptions, other than those typically employed in numerical analysis, are made on the approximating scheme.

  3. Approximate controllability of nonlinear impulsive differential systems

    NASA Astrophysics Data System (ADS)

    Sakthivel, R.; Mahmudov, N. I.; Kim, J. H.

    2007-08-01

    Many practical systems in physical and biological sciences have impulsive dynamical be- haviours during the evolution process which can be modeled by impulsive differential equations. This paper studies the approximate controllability issue for nonlinear impulsive differential and neutral functional differential equations in Hilbert spaces. Based on the semigroup theory and fixed point approach, sufficient conditions for approximate controllability of impulsive differential and neutral functional differential equations are established. Finally, two examples are presented to illustrate the utility of the proposed result. The results improve some recent results.

  4. FELIX-1.0: A finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation

    SciTech Connect

    Regnier, D.; Verriere, M.; Dubray, N.; Schunck, N.

    2015-11-30

    In this study, we describe the software package FELIX that solves the equations of the time-dependent generator coordinate method (TDGCM) in NN-dimensions (N ≥ 1) under the Gaussian overlap approximation. The numerical resolution is based on the Galerkin finite element discretization of the collective space and the Crank–Nicolson scheme for time integration. The TDGCM solver is implemented entirely in C++. Several additional tools written in C++, Python or bash scripting language are also included for convenience. In this paper, the solver is tested with a series of benchmarks calculations. We also demonstrate the ability of our code to handle a realistic calculation of fission dynamics.

  5. FELIX-1.0: A finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation

    NASA Astrophysics Data System (ADS)

    Regnier, D.; Verrière, M.; Dubray, N.; Schunck, N.

    2016-03-01

    We describe the software package FELIX that solves the equations of the time-dependent generator coordinate method (TDGCM) in N-dimensions (N ≥ 1) under the Gaussian overlap approximation. The numerical resolution is based on the Galerkin finite element discretization of the collective space and the Crank-Nicolson scheme for time integration. The TDGCM solver is implemented entirely in C++. Several additional tools written in C++, Python or bash scripting language are also included for convenience. In this paper, the solver is tested with a series of benchmarks calculations. We also demonstrate the ability of our code to handle a realistic calculation of fission dynamics.

  6. Weighted-mean scheme for solving incompressible viscous flow

    NASA Technical Reports Server (NTRS)

    Huynh, Q. Q.

    1981-01-01

    The problem of how a boundary layer responds to the motion of a convexed vortex on a porous wall was investigated. The wall velocity is approximately given by Darcy's law. The vorticity-stream function approach was adopted for solving Navier-Stokes equations of two dimensional incompressible viscous flows. The weighted-mean scheme was used for constructing finite difference approximations of spatial derivatives. Several test problems were solved and numerical results demonstrate clearly the accuracy, stability, and efficiency of the scheme. The weighted mean scheme then can be applied to the vortical flow problem.

  7. Multi-dimensional ENO schemes for general geometries

    NASA Technical Reports Server (NTRS)

    Harten, Ami; Chakravarthy, Sukumar R.

    1991-01-01

    A class of ENO schemes is presented for the numerical solution of multidimensional hyperbolic systems of conservation laws in structured and unstructured grids. This is a class of shock-capturing schemes which are designed to compute cell-averages to high order accuracy. The ENO scheme is composed of a piecewise-polynomial reconstruction of the solution form its given cell-averages, approximate evolution of the resulting initial value problem, and averaging of this approximate solution over each cell. The reconstruction algorithm is based on an adaptive selection of stencil for each cell so as to avoid spurious oscillations near discontinuities while achieving high order of accuracy away from them.

  8. Recent progress on essentially non-oscillatory shock capturing schemes

    NASA Technical Reports Server (NTRS)

    Osher, Stanley; Shu, Chi-Wang

    1989-01-01

    An account is given of the construction of efficient implementations of 'essentially nonoscillatory' (ENO) schemes that approximate systems of hyperbolic conservation laws. ENO schemes use a local adaptive stencil to automatically obtain information from regions of smoothness when the solution develops discontinuities. Approximations employing ENOs can thereby obtain uniformly high accuracy to the very onset of discontinuities, while retaining a sharp and essentially nonoscillatory shock transition. For ease of implementation, ENO schemes applying the adaptive stencil concept to the numerical fluxes and employing a TVD Runge-Kutta-type time discretization are constructed.

  9. Heavy ion transport in the straight ahead approximation

    NASA Technical Reports Server (NTRS)

    Wilson, J. W.

    1983-01-01

    An as yet unsolved problem in space radiation protection is the necessary relation between the external cosmic ray heavy ion fluence and the resultant environment within the spacecraft. Such a relation involves the transport of such ions through extended materials. Presented is a derivation of the solution of the transport equation for heavy ions in the straight ahead approximation for directed beam applications. An iterative scheme for the solution of the inhomogeneous integral transport equations is applied to a neon ion beam in water. The iterative scheme requires transport coefficients as input, which are determined from the available data on ion nuclear reactions. The iteration converged for the neon beam in water. Thus this iterative scheme appears to be a suitable approximation of heavy ion transport.

  10. Cubic spline approximation techniques for parameter estimation in distributed systems

    NASA Technical Reports Server (NTRS)

    Banks, H. T.; Crowley, J. M.; Kunisch, K.

    1983-01-01

    Approximation schemes employing cubic splines in the context of a linear semigroup framework are developed for both parabolic and hyperbolic second-order partial differential equation parameter estimation problems. Convergence results are established for problems with linear and nonlinear systems, and a summary of numerical experiments with the techniques proposed is given.

  11. Compact Spreader Schemes

    SciTech Connect

    Placidi, M.; Jung, J. -Y.; Ratti, A.; Sun, C.

    2014-07-25

    This paper describes beam distribution schemes adopting a novel implementation based on low amplitude vertical deflections combined with horizontal ones generated by Lambertson-type septum magnets. This scheme offers substantial compactness in the longitudinal layouts of the beam lines and increased flexibility for beam delivery of multiple beam lines on a shot-to-shot basis. Fast kickers (FK) or transverse electric field RF Deflectors (RFD) provide the low amplitude deflections. Initially proposed at the Stanford Linear Accelerator Center (SLAC) as tools for beam diagnostics and more recently adopted for multiline beam pattern schemes, RFDs offer repetition capabilities and a likely better amplitude reproducibility when compared to FKs, which, in turn, offer more modest financial involvements both in construction and operation. Both solutions represent an ideal approach for the design of compact beam distribution systems resulting in space and cost savings while preserving flexibility and beam quality.

  12. Compact spreader schemes

    NASA Astrophysics Data System (ADS)

    Placidi, M.; Jung, J.-Y.; Ratti, A.; Sun, C.

    2014-12-01

    This paper describes beam distribution schemes adopting a novel implementation based on low amplitude vertical deflections combined with horizontal ones generated by Lambertson-type septum magnets. This scheme offers substantial compactness in the longitudinal layouts of the beam lines and increased flexibility for beam delivery of multiple beam lines on a shot-to-shot basis. Fast kickers (FK) or transverse electric field RF Deflectors (RFD) provide the low amplitude deflections. Initially proposed at the Stanford Linear Accelerator Center (SLAC) as tools for beam diagnostics and more recently adopted for multiline beam pattern schemes, RFDs offer repetition capabilities and a likely better amplitude reproducibility when compared to FKs, which, in turn, offer more modest financial involvements both in construction and operation. Both solutions represent an ideal approach for the design of compact beam distribution systems resulting in space and cost savings while preserving flexibility and beam quality.

  13. Compression scheme for geophysical electromagnetic inversions

    NASA Astrophysics Data System (ADS)

    Abubakar, A.

    2014-12-01

    We have developed a model-compression scheme for improving the efficiency of the regularized Gauss-Newton inversion algorithm for geophysical electromagnetic applications. In this scheme, the unknown model parameters (the conductivity/resistivity distribution) are represented in terms of a basis such as Fourier and wavelet (Haar and Daubechies). By applying a truncation criterion, the model may then be approximated by a reduced number of basis functions, which is usually much less than the number of the model parameters. Further, because the geophysical electromagnetic measurements have low resolution, it is sufficient for inversion to only keep the low-spatial frequency part of the image. This model-compression scheme accelerates the computational time and also reduces the memory usage of the Gauss-Newton method. We are able to significantly reduce the algorithm computational complexity without compromising the quality of the inverted models.

  14. A New Robust Watermarking Scheme to Increase Image Security

    NASA Astrophysics Data System (ADS)

    Rahmani, Hossein; Mortezaei, Reza; Ebrahimi Moghaddam, Mohsen

    2010-12-01

    In digital image watermarking, an image is embedded into a picture for a variety of purposes such as captioning and copyright protection. In this paper, a robust private watermarking scheme for embedding a gray-scale watermark is proposed. In the proposed method, the watermark and original image are processed by applying blockwise DCT. Also, a Dynamic Fuzzy Inference System (DFIS) is used to identify the best place for watermark insertion by approximating the relationship established between the properties of HVS model. In the insertion phase, the DC coefficients of the original image are modified according to DC value of watermark and output of Fuzzy System. In the experiment phase, the CheckMark (StirMark MATLAB) software was used to verify the method robustness by applying several conventional attacks on the watermarked image. The results showed that the proposed scheme provided high image quality while it was robust against various attacks, such as Compression, Filtering, additive Noise, Cropping, Scaling, Changing aspect ratio, Copy attack, and Composite attack in comparison with related methods.

  15. Empirical Bayes for DCM: A Group Inversion Scheme

    PubMed Central

    Friston, Karl; Zeidman, Peter; Litvak, Vladimir

    2015-01-01

    This technical note considers a simple but important methodological issue in estimating effective connectivity; namely, how do we integrate measurements from multiple subjects to infer functional brain architectures that are conserved over subjects. We offer a solution to this problem that rests on a generalization of random effects analyses to Bayesian inference about nonlinear models of electrophysiological time-series data. Specifically, we present an empirical Bayesian scheme for group or hierarchical models, in the setting of dynamic causal modeling (DCM). Recent developments in approximate Bayesian inference for hierarchical models enable the efficient estimation of group effects in DCM studies of multiple trials, sessions, or subjects. This approach estimates second (e.g., between-subject) level parameters based on posterior estimates from the first (e.g., within-subject) level. Here, we use empirical priors from the second level to iteratively optimize posterior densities over parameters at the first level. The motivation for this iterative application is to finesse the local minima problem inherent in the (first level) inversion of nonlinear and ill-posed models. Effectively, the empirical priors shrink the first level parameter estimates toward the global maximum, to provide more robust and efficient estimates of within (and between-subject) effects. This paper describes the inversion scheme using a worked example based upon simulated electrophysiological responses. In a subsequent paper, we will assess its robustness and reproducibility using an empirical example. PMID:26640432

  16. Legendre-tau approximation for functional differential equations. II - The linear quadratic optimal control problem

    NASA Technical Reports Server (NTRS)

    Ito, Kazufumi; Teglas, Russell

    1987-01-01

    The numerical scheme based on the Legendre-tau approximation is proposed to approximate the feedback solution to the linear quadratic optimal control problem for hereditary differential systems. The convergence property is established using Trotter ideas. The method yields very good approximations at low orders and provides an approximation technique for computing closed-loop eigenvalues of the feedback system. A comparison with existing methods (based on averaging and spline approximations) is made.

  17. PIERNIK MHD code - a multi-fluid, non-ideal extension of the relaxing-TVD scheme (IV)

    NASA Astrophysics Data System (ADS)

    Hanasz, M.; Kowalik, K.; Wóltański, D.; Pawłaszek, R.

    2012-09-01

    We present a new multi-fluid, grid MHD code PIERNIK, which is based on the Relaxing TVD scheme (Jin & Xin 1995). The original scheme (see Trac & Pen 2003; Pen 2003) has been extended by an addition of dynamically independent, but interacting fluids: dust and a diffusive cosmic ray gas, described within the fluid approximation, with an option to add other fluids in an easy way. The code has been equipped with shearing-box boundary conditions, and a selfgravity module, Ohmic resistivity module, as well as other facilities which are useful in astrophysical fluid-dynamical simulations. The code is parallelized by means of the MPI library. In this paper we present an extension of PIERNIK, which is designed for simulations of diffusive propagation of the Cosmic-Ray (CR) component in the magnetized ISM.

  18. Microscopic justification of the equal filling approximation

    SciTech Connect

    Perez-Martin, Sara; Robledo, L. M.

    2008-07-15

    The equal filling approximation, a procedure widely used in mean-field calculations to treat the dynamics of odd nuclei in a time-reversal invariant way, is justified as the consequence of a variational principle over an average energy functional. The ideas of statistical quantum mechanics are employed in the justification. As an illustration of the method, the ground and lowest-lying states of some octupole deformed radium isotopes are computed.

  19. Recent developments in shock-capturing schemes

    NASA Technical Reports Server (NTRS)

    Harten, Ami

    1991-01-01

    The development of the shock capturing methodology is reviewed, paying special attention to the increasing nonlinearity in its design and its relation to interpolation. It is well-known that higher-order approximations to a discontinuous function generate spurious oscillations near the discontinuity (Gibbs phenomenon). Unlike standard finite-difference methods which use a fixed stencil, modern shock capturing schemes use an adaptive stencil which is selected according to the local smoothness of the solution. Near discontinuities this technique automatically switches to one-sided approximations, thus avoiding the use of discontinuous data which brings about spurious oscillations.

  20. An improved SPH scheme for cosmological simulations

    NASA Astrophysics Data System (ADS)

    Beck, A. M.; Murante, G.; Arth, A.; Remus, R.-S.; Teklu, A. F.; Donnert, J. M. F.; Planelles, S.; Beck, M. C.; Förster, P.; Imgrund, M.; Dolag, K.; Borgani, S.

    2016-01-01

    We present an implementation of smoothed particle hydrodynamics (SPH) with improved accuracy for simulations of galaxies and the large-scale structure. In particular, we implement and test a vast majority of SPH improvement in the developer version of GADGET-3. We use the Wendland kernel functions, a particle wake-up time-step limiting mechanism and a time-dependent scheme for artificial viscosity including high-order gradient computation and shear flow limiter. Additionally, we include a novel prescription for time-dependent artificial conduction, which corrects for gravitationally induced pressure gradients and improves the SPH performance in capturing the development of gas-dynamical instabilities. We extensively test our new implementation in a wide range of hydrodynamical standard tests including weak and strong shocks as well as shear flows, turbulent spectra, gas mixing, hydrostatic equilibria and self-gravitating gas clouds. We jointly employ all modifications; however, when necessary we study the performance of individual code modules. We approximate hydrodynamical states more accurately and with significantly less noise than standard GADGET-SPH. Furthermore, the new implementation promotes the mixing of entropy between different fluid phases, also within cosmological simulations. Finally, we study the performance of the hydrodynamical solver in the context of radiative galaxy formation and non-radiative galaxy cluster formation. We find galactic discs to be colder and more extended and galaxy clusters showing entropy cores instead of steadily declining entropy profiles. In summary, we demonstrate that our improved SPH implementation overcomes most of the undesirable limitations of standard GADGET-SPH, thus becoming the core of an efficient code for large cosmological simulations.

  1. Check-Digit Schemes.

    ERIC Educational Resources Information Center

    Wheeler, Mary L.

    1994-01-01

    Discusses the study of identification codes and check-digit schemes as a way to show students a practical application of mathematics and introduce them to coding theory. Examples include postal service money orders, parcel tracking numbers, ISBN codes, bank identification numbers, and UPC codes. (MKR)

  2. Longitudinal Profile Diagnostic Scheme with Subfemtosecond Resolution for High-Brightness Electron Beams

    SciTech Connect

    Andonian, G.; Hemsing, E.; Xiang, D.; Musumeci, P.; Murokh, A.; Tochitsky, S.; Rosenzweig, J.B.; /UCLA

    2012-05-03

    High-resolution measurement of the longitudinal profile of a relativistic electron beam is of utmost importance for linac based free-electron lasers and other advanced accelerator facilities that employ ultrashort bunches. In this paper, we investigate a novel scheme to measure ultrashort bunches (subpicosecond) with exceptional temporal resolution (hundreds of attoseconds) and dynamic range. The scheme employs two orthogonally oriented deflecting sections. The first imparts a short-wavelength (fast temporal resolution) horizontal angular modulation on the beam, while the second imparts a long-wavelength (slow) angular kick in the vertical dimension. Both modulations are observable on a standard downstream screen in the form of a streaked sinusoidal beam structure. We demonstrate, using scaled variables in a quasi-1D approximation, an expression for the temporal resolution of the scheme and apply it to a proof-of-concept experiment at the UCLA Neptune high-brightness injector facility. The scheme is also investigated for application at the SLAC NLCTA facility, where we show that the subfemtosecond resolution is sufficient to resolve the temporal structure of the beam used in the echo-enabled free-electron laser. We employ beam simulations to verify the effect for typical Neptune and NLCTA parameter sets and demonstrate the feasibility of the concept.

  3. Reaction schemes, escape times and geminate recombinations in particle-based spatial simulations of biochemical reactions

    NASA Astrophysics Data System (ADS)

    Klann, Michael; Koeppl, Heinz

    2013-08-01

    Modeling the spatiotemporal dynamics of biochemical reaction systems at single-molecule resolution has become feasible with the increase of computing power and is applied especially to cellular signal transduction. For an association reaction the two molecules have to be in contact. Hence, a physically faithful model of the molecular interaction assumes non-overlapping molecules that interact at their surfaces (boundary scheme). For performance reasons, this model can be replaced by particles that can overlap and react when they are closer than a certain distance with a reaction probability (volume scheme). Here we present an analytical approximation for the reaction probability in the volume scheme and compare the volume- with the boundary scheme. A dissociation reaction, in contrast, creates two molecules next to each other. If the reaction is reversible, these two products can directly re-bind again, leading to an overestimation of the dimerized state in the simulation. We show how the correct recombination rate can be achieved if the products of the dissociation are placed at identical positions, but cannot react for a certain timespan. This refractory time corresponds to the completion of the diffusion-controlled dissociation of the two molecules to their contact distance ri + rj at t = \\hat{\\tau }\\times (r_i+r_j)^2/(D_i+D_j) with \\hat{\\tau }= 1/10 for molecules with radii ri and rj and diffusion coefficients Di and Dj, respectively.

  4. High-order conservative reconstruction schemes for finite volume methods in cylindrical and spherical coordinates

    NASA Astrophysics Data System (ADS)

    Mignone, A.

    2014-08-01

    High-order reconstruction schemes for the solution of hyperbolic conservation laws in orthogonal curvilinear coordinates are revised in the finite volume approach. The formulation employs a piecewise polynomial approximation to the zone-average values to reconstruct left and right interface states from within a computational zone to arbitrary order of accuracy by inverting a Vandermonde-like linear system of equations with spatially varying coefficients. The approach is general and can be used on uniform and non-uniform meshes although explicit expressions are derived for polynomials from second to fifth degree in cylindrical and spherical geometries with uniform grid spacing. It is shown that, in regions of large curvature, the resulting expressions differ considerably from their Cartesian counterparts and that the lack of such corrections can severely degrade the accuracy of the solution close to the coordinate origin. Limiting techniques and monotonicity constraints are revised for conventional reconstruction schemes, namely, the piecewise linear method (PLM), third-order weighted essentially non-oscillatory (WENO) scheme and the piecewise parabolic method (PPM). The performance of the improved reconstruction schemes is investigated in a number of selected numerical benchmarks involving the solution of both scalar and systems of nonlinear equations (such as the equations of gas dynamics and magnetohydrodynamics) in cylindrical and spherical geometries in one and two dimensions. Results confirm that the proposed approach yields considerably smaller errors, higher convergence rates and it avoid spurious numerical effects at a symmetry axis.

  5. A flexible gridding scheme for reservoir simulation

    SciTech Connect

    Verma, S.

    1995-12-31

    This paper describes a new control volume based finite difference scheme for petroleum reservoir simulation which can be used with unstructured grids. The numerical scheme to model fluid flow is shown to be easily used for Voronoi grids in 2D. It can also be used with certain geometrical limitations for 3D Voronoi grids. The scheme can be used without any significant limitations for triangle or tetrahedron based grids where control volumes are constructed around their vertices. It assumes uniform properties inside such control volumes. Full, anisotropic and asymmetric permeability tensor can be easily handled with the proposed method. The permeability tensor can vary from block to block. Thus it will be of great value in modeling fluid flow in reservoirs where principal directions of permeability varies between beds or within a bed. The paper also presents an analysis of some of the published flexible gridding schemes which use a control volume type algebraic approximation and demonstrate the advantages of the method presented here. The technique for grid construction is also discussed. Test results presented here demonstrate the need for proper representation of reservoir geometry to predict the correct flow behavior. The gridding scheme described in this paper achieves that purpose.

  6. Phenomenological applications of rational approximants

    NASA Astrophysics Data System (ADS)

    Gonzàlez-Solís, Sergi; Masjuan, Pere

    2016-08-01

    We illustrate the powerfulness of Padé approximants (PAs) as a summation method and explore one of their extensions, the so-called quadratic approximant (QAs), to access both space- and (low-energy) time-like (TL) regions. As an introductory and pedagogical exercise, the function 1 zln(1 + z) is approximated by both kind of approximants. Then, PAs are applied to predict pseudoscalar meson Dalitz decays and to extract Vub from the semileptonic B → πℓνℓ decays. Finally, the π vector form factor in the TL region is explored using QAs.

  7. Realizing nonholonomic dynamics as limit of friction forces

    NASA Astrophysics Data System (ADS)

    Eldering, Jaap

    2016-07-01

    The classical question whether nonholonomic dynamics is realized as limit of friction forces was first posed by Carathéodory. It is known that, indeed, when friction forces are scaled to infinity, then nonholonomic dynamics is obtained as a singular limit. Our results are twofold. First, we formulate the problem in a differential geometric context. Using modern geometric singular perturbation theory in our proof, we then obtain a sharp statement on the convergence of solutions on infinite time intervals. Secondly, we set up an explicit scheme to approximate systems with large friction by a perturbation of the nonholonomic dynamics. The theory is illustrated in detail by studying analytically and numerically the Chaplygin sleigh as an example. This approximation scheme offers a reduction in dimension and has potential use in applications.

  8. Uniformly high-order accurate non-oscillatory schemes, 1

    NASA Technical Reports Server (NTRS)

    Harten, A.; Osher, S.

    1985-01-01

    The construction and the analysis of nonoscillatory shock capturing methods for the approximation of hyperbolic conservation laws was begun. These schemes share many desirable properties with total variation diminishing schemes (TVD), but TVD schemes have at most first order accuracy, in the sense of truncation error, at extreme of the solution. A uniformly second order approximation was constucted, which is nonoscillatory in the sense that the number of extrema of the discrete solution is not increasing in time. This is achieved via a nonoscillatory piecewise linear reconstruction of the solution from its cell averages, time evolution through an approximate solution of the resulting initial value problem, and averaging of this approximate solution over each cell.

  9. On the applicability of the approximate Poincaré mapping to the analysis of dynamics induced by ODE systems II. Proximity of coordinate partial derivatives of Poincaré mappings

    NASA Astrophysics Data System (ADS)

    Bakaleinikov, L. A.; Silbergleit, A. S.

    The uniform closeness of coordinates partial derivatives of the approximate and exact Poincaré maps for ODE systems with hyperbolic fixed point possessing the homoclinic orbit connecting this point to itself is studied. The conditions of the uniform bound existence for the difference between these derivatives in the domain of uniform closeness of the approximate and exact Poincaré maps are found. It is shown that partial derivatives for the systems with more than one unstable direction are generally not uniformly close.

  10. Approximating Functions with Exponential Functions

    ERIC Educational Resources Information Center

    Gordon, Sheldon P.

    2005-01-01

    The possibility of approximating a function with a linear combination of exponential functions of the form e[superscript x], e[superscript 2x], ... is considered as a parallel development to the notion of Taylor polynomials which approximate a function with a linear combination of power function terms. The sinusoidal functions sin "x" and cos "x"…

  11. Approximate circuits for increased reliability

    DOEpatents

    Hamlet, Jason R.; Mayo, Jackson R.

    2015-12-22

    Embodiments of the invention describe a Boolean circuit having a voter circuit and a plurality of approximate circuits each based, at least in part, on a reference circuit. The approximate circuits are each to generate one or more output signals based on values of received input signals. The voter circuit is to receive the one or more output signals generated by each of the approximate circuits, and is to output one or more signals corresponding to a majority value of the received signals. At least some of the approximate circuits are to generate an output value different than the reference circuit for one or more input signal values; however, for each possible input signal value, the majority values of the one or more output signals generated by the approximate circuits and received by the voter circuit correspond to output signal result values of the reference circuit.

  12. Approximate circuits for increased reliability

    DOEpatents

    Hamlet, Jason R.; Mayo, Jackson R.

    2015-08-18

    Embodiments of the invention describe a Boolean circuit having a voter circuit and a plurality of approximate circuits each based, at least in part, on a reference circuit. The approximate circuits are each to generate one or more output signals based on values of received input signals. The voter circuit is to receive the one or more output signals generated by each of the approximate circuits, and is to output one or more signals corresponding to a majority value of the received signals. At least some of the approximate circuits are to generate an output value different than the reference circuit for one or more input signal values; however, for each possible input signal value, the majority values of the one or more output signals generated by the approximate circuits and received by the voter circuit correspond to output signal result values of the reference circuit.

  13. An approximation theory for the identification of linear thermoelastic systems

    NASA Technical Reports Server (NTRS)

    Rosen, I. G.; Su, Chien-Hua Frank

    1990-01-01

    An abstract approximation framework and convergence theory for the identification of thermoelastic systems is developed. Starting from an abstract operator formulation consisting of a coupled second order hyperbolic equation of elasticity and first order parabolic equation for heat conduction, well-posedness is established using linear semigroup theory in Hilbert space, and a class of parameter estimation problems is then defined involving mild solutions. The approximation framework is based upon generic Galerkin approximation of the mild solutions, and convergence of solutions of the resulting sequence of approximating finite dimensional parameter identification problems to a solution of the original infinite dimensional inverse problem is established using approximation results for operator semigroups. An example involving the basic equations of one dimensional linear thermoelasticity and a linear spline based scheme are discussed. Numerical results indicate how the approach might be used in a study of damping mechanisms in flexible structures.

  14. Second order finite volume scheme for Maxwell's equations with discontinuous electromagnetic properties on unstructured meshes

    SciTech Connect

    Ismagilov, Timur Z.

    2015-02-01

    This paper presents a second order finite volume scheme for numerical solution of Maxwell's equations with discontinuous dielectric permittivity and magnetic permeability on unstructured meshes. The scheme is based on Godunov scheme and employs approaches of Van Leer and Lax–Wendroff to increase the order of approximation. To keep the second order of approximation near dielectric permittivity and magnetic permeability discontinuities a novel technique for gradient calculation and limitation is applied near discontinuities. Results of test computations for problems with linear and curvilinear discontinuities confirm second order of approximation. The scheme was applied to modelling propagation of electromagnetic waves inside photonic crystal waveguides with a bend.

  15. Beyond Scheme F

    SciTech Connect

    Elliott, C.J.; Fisher, H.; Pepin, J.; Gillmann, R.

    1996-07-01

    Traffic classification techniques were evaluated using data from a 1993 investigation of the traffic flow patterns on I-20 in Georgia. First we improved the data by sifting through the data base, checking against the original video for questionable events and removing and/or repairing questionable events. We used this data base to critique the performance quantitatively of a classification method known as Scheme F. As a context for improving the approach, we show in this paper that scheme F can be represented as a McCullogh-Pitts neural network, oar as an equivalent decomposition of the plane. We found that Scheme F, among other things, severely misrepresents the number of vehicles in Class 3 by labeling them as Class 2. After discussing the basic classification problem in terms of what is measured, and what is the desired prediction goal, we set forth desirable characteristics of the classification scheme and describe a recurrent neural network system that partitions the high dimensional space up into bins for each axle separation. the collection of bin numbers, one for each of the axle separations, specifies a region in the axle space called a hyper-bin. All the vehicles counted that have the same set of in numbers are in the same hyper-bin. The probability of the occurrence of a particular class in that hyper- bin is the relative frequency with which that class occurs in that set of bin numbers. This type of algorithm produces classification results that are much more balanced and uniform with respect to Classes 2 and 3 and Class 10. In particular, the cancellation of errors of classification that occurs is for many applications the ideal classification scenario. The neural network results are presented in the form of a primary classification network and a reclassification network, the performance matrices for which are presented.

  16. Numerical Stability and Convergence of Approximate Methods for Conservation Laws

    NASA Astrophysics Data System (ADS)

    Galkin, V. A.

    We present the new approach to background of approximate methods convergence based on functional solutions theory for conservation laws. The applications to physical kinetics, gas and fluid dynamics are considered.

  17. Robust anonymous authentication scheme for telecare medical information systems.

    PubMed

    Xie, Qi; Zhang, Jun; Dong, Na

    2013-04-01

    Patient can obtain sorts of health-care delivery services via Telecare Medical Information Systems (TMIS). Authentication, security, patient's privacy protection and data confidentiality are important for patient or doctor accessing to Electronic Medical Records (EMR). In 2012, Chen et al. showed that Khan et al.'s dynamic ID-based authentication scheme has some weaknesses and proposed an improved scheme, and they claimed that their scheme is more suitable for TMIS. However, we show that Chen et al.'s scheme also has some weaknesses. In particular, Chen et al.'s scheme does not provide user's privacy protection and perfect forward secrecy, is vulnerable to off-line password guessing attack and impersonation attack once user's smart card is compromised. Further, we propose a secure anonymity authentication scheme to overcome their weaknesses even an adversary can know all information stored in smart card.

  18. Robust anonymous authentication scheme for telecare medical information systems.

    PubMed

    Xie, Qi; Zhang, Jun; Dong, Na

    2013-04-01

    Patient can obtain sorts of health-care delivery services via Telecare Medical Information Systems (TMIS). Authentication, security, patient's privacy protection and data confidentiality are important for patient or doctor accessing to Electronic Medical Records (EMR). In 2012, Chen et al. showed that Khan et al.'s dynamic ID-based authentication scheme has some weaknesses and proposed an improved scheme, and they claimed that their scheme is more suitable for TMIS. However, we show that Chen et al.'s scheme also has some weaknesses. In particular, Chen et al.'s scheme does not provide user's privacy protection and perfect forward secrecy, is vulnerable to off-line password guessing attack and impersonation attack once user's smart card is compromised. Further, we propose a secure anonymity authentication scheme to overcome their weaknesses even an adversary can know all information stored in smart card. PMID:23321972

  19. Splitting based finite volume schemes for ideal MHD equations

    NASA Astrophysics Data System (ADS)

    Fuchs, F. G.; Mishra, S.; Risebro, N. H.

    2009-02-01

    We design finite volume schemes for the equations of ideal magnetohydrodynamics (MHD) and based on splitting these equations into a fluid part and a magnetic induction part. The fluid part leads to an extended Euler system with magnetic forces as source terms. This set of equations are approximated by suitable two- and three-wave HLL solvers. The magnetic part is modeled by the magnetic induction equations which are approximated using stable upwind schemes devised in a recent paper [F. Fuchs, K.H. Karlsen, S. Mishra, N.H. Risebro, Stable upwind schemes for the Magnetic Induction equation. Math. Model. Num. Anal., Available on conservation laws preprint server, submitted for publication, URL: ]. These two sets of schemes can be combined either component by component, or by using an operator splitting procedure to obtain a finite volume scheme for the MHD equations. The resulting schemes are simple to design and implement. These schemes are compared with existing HLL type and Roe type schemes for MHD equations in a series of numerical experiments. These tests reveal that the proposed schemes are robust and have a greater numerical resolution than HLL type solvers, particularly in several space dimensions. In fact, the numerical resolution is comparable to that of the Roe scheme on most test problems with the computational cost being at the level of a HLL type solver. Furthermore, the schemes are remarkably stable even at very fine mesh resolutions and handle the divergence constraint efficiently with low divergence errors.

  20. A stochastic approximation approach to improve the convergence behavior of hierarchical atomistic-to-continuum multiscale models

    NASA Astrophysics Data System (ADS)

    Wurm, Patrick; Ulz, Manfred H.

    2016-10-01

    The aim of this work is to provide an improved information exchange in hierarchical atomistic-to-continuum settings by applying stochastic approximation methods. For this purpose a typical model belonging to this class is chosen and enhanced. On the macroscale of this particular two-scale model, the balance equations of continuum mechanics are solved using a nonlinear finite element formulation. The microscale, on which a canonical ensemble of statistical mechanics is simulated using molecular dynamics, replaces a classic material formulation. The constitutive behavior is computed on the microscale by computing time averages. However, these time averages are thermal noise-corrupted as the microscale may practically not be tracked for a sufficiently long period of time due to limited computational resources. This noise prevents the model from a classical convergence behavior and creates a setting that shows remarkable resemblance to iteration schemes known from stochastic approximation. This resemblance justifies the use of two averaging strategies known to improve the convergence behavior in stochastic approximation schemes under certain, fairly general, conditions. To demonstrate the effectiveness of the proposed strategies, three numerical examples are studied.