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Sample records for stationary state solutions

  1. Poissonian steady states: From stationary densities to stationary intensities

    NASA Astrophysics Data System (ADS)

    Eliazar, Iddo

    2012-10-01

    Markov dynamics are the most elemental and omnipresent form of stochastic dynamics in the sciences, with applications ranging from physics to chemistry, from biology to evolution, and from economics to finance. Markov dynamics can be either stationary or nonstationary. Stationary Markov dynamics represent statistical steady states and are quantified by stationary densities. In this paper, we generalize the notion of steady state to the case of general Markov dynamics. Considering an ensemble of independent motions governed by common Markov dynamics, we establish that the entire ensemble attains Poissonian steady states which are quantified by stationary Poissonian intensities and which hold valid also in the case of nonstationary Markov dynamics. The methodology is applied to a host of Markov dynamics, including Brownian motion, birth-death processes, random walks, geometric random walks, renewal processes, growth-collapse dynamics, decay-surge dynamics, Ito diffusions, and Langevin dynamics.

  2. Stability of Stationary Solutions of the Multifrequency Radiation Diffusion Equations

    SciTech Connect

    Hald, O H; Shestakov, A I

    2004-01-20

    A nondimensional model of the multifrequency radiation diffusion equation is derived. A single material, ideal gas, equation of state is assumed. Opacities are proportional to the inverse of the cube of the frequency. Inclusion of stimulated emission implies a Wien spectrum for the radiation source function. It is shown that the solutions are uniformly bounded in time and that stationary solutions are stable. The spatially independent solutions are asymptotically stable, while the spatially dependent solutions of the linearized equations approach zero.

  3. Numerical methods for finding stationary gravitational solutions

    NASA Astrophysics Data System (ADS)

    Dias, Óscar J. C.; Santos, Jorge E.; Way, Benson

    2016-07-01

    The wide applications of higher dimensional gravity and gauge/gravity duality have fuelled the search for new stationary solutions of the Einstein equation (possibly coupled to matter). In this topical review, we explain the mathematical foundations and give a practical guide for the numerical solution of gravitational boundary value problems. We present these methods by way of example: resolving asymptotically flat black rings, singly spinning lumpy black holes in anti-de Sitter (AdS), and the Gregory–Laflamme zero modes of small rotating black holes in AdS{}5× {S}5. We also include several tools and tricks that have been useful throughout the literature.

  4. Self-Organized Stationary States of Tokamaks

    SciTech Connect

    Jardin, S. C.; Ferraro, N.; Krebs, I.

    2015-11-01

    We demonstrate that in a 3D resistive magnetohydrodynamic simulation, for some parameters it is possible to form a stationary state in a tokamak where a saturated interchange mode in the center of the discharge drives a near helical flow pattern that acts to nonlinearly sustain the configuration by adjusting the central loop voltage through a dynamo action. This could explain the physical mechanism for maintaining stationary nonsawtoothing "hybrid" discharges, often referred to as "flux pumping."

  5. Self-Organized Stationary States of Tokamaks.

    PubMed

    Jardin, S C; Ferraro, N; Krebs, I

    2015-11-20

    We demonstrate that in a 3D resistive magnetohydrodynamic simulation, for some parameters it is possible to form a stationary state in a tokamak where a saturated interchange mode in the center of the discharge drives a near helical flow pattern that acts to nonlinearly sustain the configuration by adjusting the central loop voltage through a dynamo action. This could explain the physical mechanism for maintaining stationary nonsawtoothing "hybrid" discharges, often referred to as "flux pumping." PMID:26636854

  6. Self-Organized Stationary States of Tokamaks

    SciTech Connect

    Jardin, S. C.; Ferraro, N.; Krebs, I.

    2015-11-17

    We demonstrate that in a 3D resistive magnetohydrodynamic (MHD) simulation, for some parameters it is possible to form a stationary state in a tokamak where a saturated interchange mode in the center of the discharge drives a near helical flow pattern that acts to non-linearly sustain the configuration by adjusting the central loop voltage through a dynamo action. This could explain the physical mechanism for maintaining stationary non-sawtoothing “hybrid” discharges, often referred to as “flux-pumping”.

  7. Stationary solutions of the Dirac equation in the gravitational field of a charged black hole

    SciTech Connect

    Dokuchaev, V. I. Eroshenko, Yu. N.

    2013-07-15

    A stationary solution of the Dirac equation in the metric of a Reissner-Nordstroem black hole has been found. Only one stationary regular state outside the black hole event horizon and only one stationary regular state below the Cauchy horizon are shown to exist. The normalization integral of the wave functions diverges on both horizons if the black hole is non-extremal. This means that the solution found can be only the asymptotic limit of a nonstationary solution. In contrast, in the case of an extremal black hole, the normalization integral is finite and the stationary regular solution is physically self-consistent. The existence of quantum levels below the Cauchy horizon can affect the final stage of Hawking black hole evaporation and opens up the fundamental possibility of investigating the internal structure of black holes using quantum tunneling between external and internal states.

  8. Static and stationary multiple soliton solutions to the Einstein equations

    SciTech Connect

    Letelier, P.S.

    1985-03-01

    The application of the Belinsky--Zakharov solution-generating technique, i.e., the inverse scattering method, to generate stationary axially symmetric solutions to the vacuum Einstein equations is reduced to a single quadrature when the seed solution is diagonal. The possibility of having real odd-number soliton solutions is investigated. These solutions represent solitonic perturbations of Euclidean metrics. The possibility of using instantons as seed solutions is also investigated. The one- and two-soliton solutions generated from a diagonal seed solution are studied. As an application, a unified derivation of some well-known static solutions, like the Schwarzschild metric and the Chazy--Curzon metric, as well as other new metrics is presented. By using these metrics as seed solutions, some known stationary solutions, like the Kerr-NUT metric, the double Kerr metric, and the rotating Weyl C-metric, as well as other new metrics are also derived in a unified way.

  9. Pattern formation and mass transfer under stationary solutal Marangoni instability.

    PubMed

    Schwarzenberger, Karin; Köllner, Thomas; Linde, Hartmut; Boeck, Thomas; Odenbach, Stefan; Eckert, Kerstin

    2014-04-01

    According to the seminal theory by Sternling and Scriven, solutal Marangoni convection during mass transfer of surface-active solutes may occur as either oscillatory or stationary instability. With strong support of Manuel G. Velarde, a combined initiative of experimental works, in particular to mention those of Linde, Wierschem and coworkers, and theory has enabled a classification of dominant wave types of the oscillatory mode and their interactions. In this way a rather comprehensive understanding of the nonlinear evolution of the oscillatory instability could be achieved. A comparably advanced state-of-the-art with respect to the stationary counterpart seemed to be out of reach a short time ago. Recent developments on both the numerical and experimental side, in combination with assessing an extensive number of older experiments, now allow one to draw a more unified picture. By reviewing these works, we show that three main building blocks exist during the nonlinear evolution: roll cells, relaxation oscillations and relaxation oscillations waves. What is frequently called interfacial turbulence results from the interaction between these partly coexisting basic patterns which may additionally occur in different hierarchy levels. The second focus of this review lies on the practical importance of such convection patterns concerning their influence on mass transfer characteristics. Particular attention is paid here to the interaction between Marangoni and buoyancy effects which frequently complicates the pattern formation even more. To shed more light on these dependencies, new simulations regarding the limiting case of stabilizing density stratification and vanishing buoyancy are incorporated. PMID:24456800

  10. Some stationary solutions of two-fluid magnetohydrodynamic equations

    NASA Astrophysics Data System (ADS)

    Avinash, K.

    1992-12-01

    Some stationary solutions of two-fluid magnetohydrodynamic equations are constructed using generalized helicity invariants. Solutions corresponding to the Z pinch, Bennett pinch, θ pinch, etc., are constructed. The Z-pinch-like solution is identical to Weibel's solution [Phys. Fluids 2, 52 (1959)], while the Bennett-pinch-like solution contains nonuniform axial drifts. By constructing the same solutions from the Vlasov-Maxwell system of equations, it is shown that the results obtained here are consistent with those of Mahajan [Phys. Fluids B 1, 43 (1989)]. Similarly, new θ-pinch-like solutions are constructed and the relation of these to earlier work is discussed.

  11. Stationary and uniformly accelerated states in nonlinear quantum mechanics

    NASA Astrophysics Data System (ADS)

    Plastino, A. R.; Souza, A. M. C.; Nobre, F. D.; Tsallis, C.

    2014-12-01

    We consider two kinds of solutions of a recently proposed field theory leading to a nonlinear Schrödinger equation exhibiting solitonlike solutions of the power-law form eqi (k x -w t ), involving the q exponential function naturally arising within nonextensive thermostatistics [eqz≡[1+(1 -q ) z ] 1 /(1 -q ) , with e1z=ez ]. These fundamental solutions behave like free particles, satisfying p =ℏ k , E =ℏ ω , and E =p2/2 m (1 ≤q <2 ) . Here we introduce two additional types of exact, analytical solutions of the aforementioned field theory. As a first step we extend the theory to situations involving a potential energy term, thus going beyond the previous treatment concerning solely the free-particle dynamics. Then we consider both bound, stationary states associated with a confining potential and also time-evolving states corresponding to a linear potential function. These types of solutions might be relevant for physical applications of the present nonlinear generalized Schrödinger equation. In particular, the stationary solution obtained shows an increase in the probability for finding the particle localized around a certain position of the well as one increases q in the interval 1 ≤q <2 , which should be appropriate for physical systems where one finds a low-energy particle localized inside a confining potential.

  12. Landau superfluids as nonequilibrium stationary states

    SciTech Connect

    Wreszinski, Walter F.

    2015-01-15

    We define a superfluid state to be a nonequilibrium stationary state (NESS), which, at zero temperature, satisfies certain metastability conditions, which physically express that there should be a sufficiently small energy-momentum transfer between the particles of the fluid and the surroundings (e.g., pipe). It is shown that two models, the Girardeau model and the Huang-Yang-Luttinger (HYL) model, describe superfluids in this sense and, moreover, that, in the case of the HYL model, the metastability condition is directly related to Nozières’ conjecture that, due to the repulsive interaction, the condensate does not suffer fragmentation into two (or more) parts, thereby assuring its quantum coherence. The models are rigorous examples of NESS in which the system is not finite, but rather a many-body system.

  13. Self-organized stationary states of tokamaks

    NASA Astrophysics Data System (ADS)

    Jardin, Stephen

    2015-11-01

    We report here on a nonlinear mechanism that forms and maintains a self-organized stationary (sawtooth free) state in tokamaks. This process was discovered by way of extensive long-time simulations using the M3D-C1 3D extended MHD code in which new physics diagnostics have been added. It is well known that most high-performance modes of tokamak operation undergo ``sawtooth'' cycles, in which the peaking of the toroidal current density triggers a periodic core instability which redistributes the current density. However, certain modes of operation are known, such as the ``hybrid'' mode in DIII-D, ASDEX-U, JT-60U and JET, and the long-lived modes in NSTX and MAST, which do not experience this cycle of instability. Empirically, it is observed that these modes maintain a non-axisymmetric equilibrium which somehow limits the peaking of the toroidal current density. The physical mechanism responsible for this has not previously been understood, but is often referred to as ``flux-pumping,'' in which poloidal flux is redistributed in order to maintain q0 >1. In this talk, we show that in long-time simulations of inductively driven plasmas, a steady-state magnetic equilibrium may be obtained in which the condition q0 >1 is maintained by a dynamo driven by a stationary marginal core interchange mode. This interchange mode, unstable because of the pressure gradient in the ultra-low shear region in the center region, causes a (1,1) perturbation in both the electrostatic potential and the magnetic field, which nonlinearly cause a (0,0) component in the loop voltage that acts to sustain the configuration. This hybrid mode may be a preferred mode of operation for ITER. We present parameter scans that indicate when this sawtooth-free operation can be expected.

  14. Stationary axially symmetric solutions in Brans-Dicke theory

    NASA Astrophysics Data System (ADS)

    Kirezli, Pınar; Delice, Özgür

    2015-11-01

    Stationary, axially symmetric Brans-Dicke-Maxwell solutions are reexamined in the framework of the Brans-Dicke (BD) theory. We see that, employing a particular parametrization of the standard axially symmetric metric simplifies the procedure of obtaining the Ernst equations for axially symmetric electrovacuum spacetimes for this theory. This analysis also permits us to construct a two parameter extension in both Jordan and Einstein frames of an old solution generating technique frequently used to construct axially symmetric solutions for BD theory from a seed solution of general relativity. As applications of this technique, several known and new solutions are constructed including a general axially symmetric BD-Maxwell solution of Plebanski-Demianski with vanishing cosmological constant, i.e., the Kinnersley solution and general magnetized Kerr-Newman-type solutions. Some physical properties and the circular motion of test particles for a particular subclass of Kinnersley solution, i.e., a Kerr-Newman-NUT-type solution for BD theory, are also investigated in some detail.

  15. Thermodynamical description of stationary, asymptotically flat solutions with conical singularities

    SciTech Connect

    Herdeiro, Carlos; Rebelo, Carmen; Radu, Eugen

    2010-05-15

    We examine the thermodynamical properties of a number of asymptotically flat, stationary (but not static) solutions having conical singularities, with both connected and nonconnected event horizons, using the thermodynamical description recently proposed in [C. Herdeiro, B. Kleihaus, J. Kunz, and E. Radu, Phys. Rev. D 81, 064013 (2010).]. The examples considered are the double-Kerr solution, the black ring rotating in either S{sup 2} or S{sup 1}, and the black Saturn, where the balance condition is not imposed for the latter two solutions. We show that not only the Bekenstein-Hawking area law is recovered from the thermodynamical description, but also the thermodynamical angular momentum is the Arnowitt-Deser-Misner angular momentum. We also analyze the thermodynamical stability and show that, for all these solutions, either the isothermal moment of inertia or the specific heat at constant angular momentum is negative, at any point in parameter space. Therefore, all these solutions are thermodynamically unstable in the grand canonical ensemble.

  16. Asymptotic stability of stationary states in the wave equation coupled to a nonrelativistic particle

    NASA Astrophysics Data System (ADS)

    Kopylova, E. A.; Komech, A. I.

    2016-01-01

    We consider the Hamiltonian system consisting of a scalar wave field and a single particle coupled in a translation invariant manner. The point particle is subjected to an external potential. The stationary solutions of the system are a Coulomb type wave field centered at those particle positions for which the external force vanishes. It is assumed that the charge density satisfies the Wiener condition, which is a version of the "Fermi Golden Rule." We prove that in the large time approximation, any finite energy solution, with the initial state close to the some stable stationary solution, is a sum of this stationary solution and a dispersive wave which is a solution of the free wave equation.

  17. Exponentially Stable Stationary Solutions for Stochastic Evolution Equations and Their Perturbation

    SciTech Connect

    Caraballo, Tomas Kloeden, Peter E. Schmalfuss, Bjoern

    2004-10-15

    We consider the exponential stability of stochastic evolution equations with Lipschitz continuous non-linearities when zero is not a solution for these equations. We prove the existence of anon-trivial stationary solution which is exponentially stable, where the stationary solution is generated by the composition of a random variable and the Wiener shift. We also construct stationary solutions with the stronger property of attracting bounded sets uniformly. The existence of these stationary solutions follows from the theory of random dynamical systems and their attractors. In addition, we prove some perturbation results and formulate conditions for the existence of stationary solutions for semilinear stochastic partial differential equations with Lipschitz continuous non-linearities.

  18. Locations of stationary/periodic solutions in mean motion resonances according to properties of dust grains

    NASA Astrophysics Data System (ADS)

    Pástor, P.

    2016-04-01

    The equations of secular evolution for dust grains in mean motion resonances with a planet are solved for stationary points. This is done including both Poynting-Robertson effect and stellar wind. The solutions are stationary in semimajor axis, eccentricity, and resonant angle, but allow the pericentre to advance. The semimajor axis of stationary solutions can be slightly shifted from the exact resonant value. The periodicity of the stationary solutions in a reference frame orbiting with the planet is analytically proved. The existence of periodic solutions in mean motion resonances means that analytical theory enables for dust particles also infinitely long capture times. The stationary solutions are periodic motions to which the eccentricity asymptotically approaches and around which the libration occurs. Using numerical integration of equation of motion are successfully found initial conditions corresponding to the stationary solutions. Numerically and analytically determined shifts of the semimajor axis form the exact resonance for the stationary solutions are in excellent agreement. The stationary solutions can be plotted by locations of pericenters in the reference frame orbiting with the planet. The pericenters are distributed in the space according to properties of dust particles.

  19. Inferring Microscopic Kinetic Rates from Stationary State Distributions

    PubMed Central

    2015-01-01

    We present a principled approach for estimating the matrix of microscopic transition probabilities among states of a Markov process, given only its stationary state population distribution and a single average global kinetic observable. We adapt Maximum Caliber, a variational principle in which the path entropy is maximized over the distribution of all possible trajectories, subject to basic kinetic constraints and some average dynamical observables. We illustrate the method by computing the solvation dynamics of water molecules from molecular dynamics trajectories. PMID:25136269

  20. Discretization of Stationary Solutions of Stochastic Systems Driven by Fractional Brownian Motion

    SciTech Connect

    Garrido-Atienza, Maria J. Kloeden, Peter E. Neuenkirch, Andreas

    2009-10-15

    In this article we study the behavior of dissipative systems with additive fractional noise of any Hurst parameter. Under a one-sided dissipative Lipschitz condition on the drift the continuous stochastic system is shown to have a unique stationary solution, which pathwise attracts all other solutions. The same holds for the discretized stochastic system, if the drift-implicit Euler method is used for the discretization. Moreover, the unique stationary solution of the drift-implicit Euler scheme converges to the unique stationary solution of the original system as the stepsize of the discretization decreases.

  1. On axisymmetric and stationary solutions of the self-gravitating Vlasov system

    NASA Astrophysics Data System (ADS)

    Ames, Ellery; Andréasson, Håkan; Logg, Anders

    2016-08-01

    Axisymmetric and stationary solutions are constructed to the Einstein–Vlasov and Vlasov–Poisson systems. These solutions are constructed numerically, using finite element methods and a fixed-point iteration in which the total mass is fixed at each step. A variety of axisymmetric stationary solutions are exhibited, including solutions with toroidal, disk-like, spindle-like, and composite spatial density configurations, as are solutions with non-vanishing net angular momentum. In the case of toroidal solutions, we show for the first time, solutions of the Einstein–Vlasov system which contain ergoregions.

  2. Fluctuations in Stationary Nonequilibrium States of Irreversible Processes

    SciTech Connect

    Bertini, L.; De Sole, A.; Gabrielli, D.; Jona-Lasinio, G.; Landim, C.

    2001-07-23

    We formulate a dynamical fluctuation theory for stationary nonequilibrium states (SNS) which covers situations in a nonlinear hydrodynamic regime and is verified explicitly in stochastic models of interacting particles. In our theory a crucial role is played by the time reversed dynamics. Our results include the modification of the Onsager-Machlup theory in the SNS, a general Hamilton-Jacobi equation for the macroscopic entropy and a nonequilibrium, nonlinear fluctuation dissipation relation valid for a wide class of systems.

  3. Linear stability of stationary solutions of the Vlasov-Poisson system in three dimensions

    SciTech Connect

    Batt, J.; Rein, G. . Mathematisches Inst.); Morrison, P.J. )

    1993-03-01

    Rigorous results on the stability of stationary solutions of the Vlasov-Poisson system are obtained in both the plasma physics and stellar dynamics contexts. It is proven that stationary solutions in the plasma physics (stellar dynamics) case are linearly stable if they are decreasing (increasing) functions of the local, i.e. particle, energy. The main tool in the analysis is the free energy of the system, a conserved quantity. In addition, an appropriate global existence result is proven for the linearized Vlasov-Poisson system and the existence of stationary solutions that satisfy the above stability condition is established.

  4. Maximum entropy principle for stationary states underpinned by stochastic thermodynamics.

    PubMed

    Ford, Ian J

    2015-11-01

    The selection of an equilibrium state by maximizing the entropy of a system, subject to certain constraints, is often powerfully motivated as an exercise in logical inference, a procedure where conclusions are reached on the basis of incomplete information. But such a framework can be more compelling if it is underpinned by dynamical arguments, and we show how this can be provided by stochastic thermodynamics, where an explicit link is made between the production of entropy and the stochastic dynamics of a system coupled to an environment. The separation of entropy production into three components allows us to select a stationary state by maximizing the change, averaged over all realizations of the motion, in the principal relaxational or nonadiabatic component, equivalent to requiring that this contribution to the entropy production should become time independent for all realizations. We show that this recovers the usual equilibrium probability density function (pdf) for a conservative system in an isothermal environment, as well as the stationary nonequilibrium pdf for a particle confined to a potential under nonisothermal conditions, and a particle subject to a constant nonconservative force under isothermal conditions. The two remaining components of entropy production account for a recently discussed thermodynamic anomaly between over- and underdamped treatments of the dynamics in the nonisothermal stationary state. PMID:26651681

  5. Critical dynamic approach to stationary states in complex systems

    NASA Astrophysics Data System (ADS)

    Rozenfeld, A. F.; Laneri, K.; Albano, E. V.

    2007-04-01

    A dynamic scaling Ansatz for the approach to stationary states in complex systems is proposed and tested by means of extensive simulations applied to both the Bak-Sneppen (BS) model, which exhibits robust Self-Organised Critical (SOC) behaviour, and the Game of Life (GOL) of J. Conway, whose critical behaviour is under debate. Considering the dynamic scaling behaviour of the density of sites (ρ(t)), it is shown that i) by starting the dynamic measurements with configurations such that ρ(t=0) →0, one observes an initial increase of the density with exponents θ= 0.12(2) and θ= 0.11(2) for the BS and GOL models, respectively; ii) by using initial configurations with ρ(t=0) →1, the density decays with exponents δ= 0.47(2) and δ= 0.28(2) for the BS and GOL models, respectively. It is also shown that the temporal autocorrelation decays with exponents Ca = 0.35(2) (Ca = 0.35(5)) for the BS (GOL) model. By using these dynamically determined critical exponents and suitable scaling relationships, we also obtain the dynamic exponents z = 2.10(5) (z = 2.10(5)) for the BS (GOL) model. Based on this evidence we conclude that the dynamic approach to stationary states of the investigated models can be described by suitable power-law functions of time with well-defined exponents.

  6. Deterministic creation of stationary entangled states by dissipation

    SciTech Connect

    Alharbi, A. F.; Ficek, Z.

    2010-11-15

    We propose a practical physical system for creation of stationary entanglement by dissipation without employing environmental engineering techniques. The system proposed is composed of two perfectly distinguishable atoms, through their significantly different transition frequencies, with only one atom addressed by an external laser field. We show that the arrangement would easily be realized in practice by trapping the atoms at a distance equal to the quarter-wavelength of a standing-wave laser field and locating one of the atoms at a node and the other at the successive antinode of the wave. The undesirable dipole-dipole interaction between the atoms, which could be large at this small distance, is adjusted to zero by a specific initial preparation of the atoms or by a specific polarization of the atomic dipole moments. Following this arrangement, we show that the dissipative relaxation can create a stationary entanglement on demand by tuning the Rabi frequency of the laser field to the difference between the atomic transition frequencies. The laser field dresses the atom and we identify that the entangled state occurs when the frequency of one of the Rabi sidebands of the driven atom tunes to the frequency of the undriven atom. It is also found that this system behaves as a cascade open system where the fluorescence from the dressed atom drives the other atom with no feedback.

  7. Stationary states of extended nonlinear Schrödinger equation with a source

    NASA Astrophysics Data System (ADS)

    Borich, M. A.; Smagin, V. V.; Tankeev, A. P.

    2007-02-01

    Structure of nonlinear stationary states of the extended nonlinear Schrödinger equation (ENSE) with a source has been analyzed with allowance for both third-order and nonlinearity dispersion. A new class of particular solutions (solitary waves) of the ENSe has been obtained. The scenario of the destruction of these states under the effect of an external perturbation has been investigated analytically and numerically. The results obtained can be used to interpret experimental data on the weakly nonlinear dynamics of the magnetostatic envelope in heterophase ferromagnet-insulator-metal, metal-insulator-ferromagnet-insulator-metal, and other similar structures and upon the simulation of nonlinear processes in optical systems.

  8. Time and 'angular' dependent backgrounds from stationary axisymmetric solutions

    SciTech Connect

    Obregon, Octavio; Quevedo, Hernando; Ryan, Michael P.

    2004-09-15

    Backgrounds depending on time and on angular variable, namely, polarized and unpolarized S{sup 1}xS{sup 2} Gowdy models, are generated as the sector inside the horizons of the manifold corresponding to axisymmetric solutions. As is known, an analytical continuation of ordinary D-branes, iD-branes allow one to find S-brane solutions. Simple models have been constructed by means of analytic continuation of the Schwarzschild and the Kerr metrics. The possibility of studying the i-Gowdy models obtained here is outlined with an eye toward seeing if they could represent some kind of generalized S-branes depending not only on time but also on an angular variable.

  9. Stationary axisymmetric solutions involving a third order equation irreducible to Painlevé transcendents

    NASA Astrophysics Data System (ADS)

    Gariel, J.; Marcilhacy, G.; Santos, N. O.

    2008-02-01

    We extend the method of separation of variables, studied by Léauté and Marcilhacy [Ann. Inst. Henri Poincare, Sect. A 331, 363 (1979)], to obtain transcendent solutions of the field equations for stationary axisymmetric systems. These solutions depend on transcendent functions satisfying a third order differential equation. For some solutions this equation satisfies the necessary conditions, but not sufficient, to have fixed critical points.

  10. Charging of a conducting sphere in a weakly ionized collisional plasma: Temporal dynamics and stationary state

    SciTech Connect

    Grach, V. S. Garasev, M. A.

    2015-07-15

    We consider the interaction of a isolated conducting sphere with a collisional weakly ionized plasma in an external field. We assume that the plasma consists of two species of ions neglecting of electrons. We take into account charging of the sphere due to sedimentation of plasma ions on it, the field of the sphere charge and the space charge, as well as recombination and molecular diffusion. The nonstationary problem of interaction of the sphere with the surrounding plasma is solved numerically. The temporal dynamics of the sphere charge and plasma perturbations is analyzed, as well as the properties of the stationary state. It is shown that the duration of transient period is determined by the recombination time and by the reverse conductivity of ions. The temporal dynamics of the sphere charge and plasma perturbations is determined by the intensity of recombination processes relative to the influence of the space charge field and diffusion. The stationary absolute value of the sphere charge increases linearly with the external electric field, decreases with the relative intensity of recombination processes and increases in the presence of substantial diffusion. The scales of the perturbed region in the plasma are determined by the radius of the sphere, the external field, the effect of diffusion, and the relative intensity of recombination processes. In the limiting case of the absence of molecular diffusion and a strong external field, the properties of the stationary state coincide with those obtained earlier as a result of approximate solution.

  11. Analyticity of strictly static and strictly stationary, inheriting and non-inheriting Einstein-Maxwell solutions

    NASA Astrophysics Data System (ADS)

    Tod, Paul

    2007-07-01

    Following the technique of Müller zum Hagen (Proc. Camb. Phil. Soc. 67: 415-421, 1970) we show that strictly static and strictly stationary solutions of the Einstein-Maxwell equations are analytic in harmonic coordinates. This holds whether or not the Maxwell field inherits the symmetry.

  12. GPELab, a Matlab toolbox to solve Gross-Pitaevskii equations I: Computation of stationary solutions

    NASA Astrophysics Data System (ADS)

    Antoine, Xavier; Duboscq, Romain

    2014-11-01

    This paper presents GPELab (Gross-Pitaevskii Equation Laboratory), an advanced easy-to-use and flexible Matlab toolbox for numerically simulating many complex physics situations related to Bose-Einstein condensation. The model equation that GPELab solves is the Gross-Pitaevskii equation. The aim of this first part is to present the physical problems and the robust and accurate numerical schemes that are implemented for computing stationary solutions, to show a few computational examples and to explain how the basic GPELab functions work. Problems that can be solved include: 1d, 2d and 3d situations, general potentials, large classes of local and nonlocal nonlinearities, multi-components problems, and fast rotating gases. The toolbox is developed in such a way that other physics applications that require the numerical solution of general Schrödinger-type equations can be considered. Catalogue identifier: AETU_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AETU_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.: 26 552 No. of bytes in distributed program, including test data, etc.: 611 289 Distribution format: tar.gz Programming language: Matlab. Computer: PC, Mac. Operating system: Windows, Mac OS, Linux. Has the code been vectorized or parallelized?: Yes RAM: 4000 Megabytes Classification: 2.7, 4.6, 7.7. Nature of problem: Computing stationary solutions for a class of systems (multi-components) of Gross-Pitaevskii equations in 1d, 2d and 3d. This program is particularly well designed for the computation of ground states of Bose-Einstein condensates as well as dynamics. Solution method: We use the imaginary-time method with a Semi-Implicit Backward Euler scheme, a pseudo-spectral approximation and a Krylov subspace method. Running time: From a few minutes

  13. Type D stationary axisymmetric solutions to Einstein-Maxwell equations conformal to Carter spacetimes

    NASA Astrophysics Data System (ADS)

    Garcia-Diaz, Alberto A.; Gutierrez-Cano, Gustavo

    It is established that the conformal type D electrovacuum stationary axisymmetric Carter class of metrics splits into three families of solutions: the Plebański-Demiański family, the Carter-Plebański spacetimes, and the trigonometric-hyperbolic conformal class. This last class, via coordinate transformations, can be brought to the C-P form. These metrics admit an Abelian group of motions G2 with commuting stationary and angular Killing vectors, are of Petrov type D; the null eigenvectors of the general electromagnetic field coincide with the directions of the Debever null vectors of Weyl curvature tensor. These solutions exhibit, for certain ranges of the coordinate variables, a black hole behavior; a "ring" singularity similar to the one of the Kerr metric is present. The limiting transition of these solutions leads to the Kerr-Newman black hole solution as a subbranch.

  14. Mixed addenda polyoxometalate "solutions" for stationary energy storage.

    PubMed

    Pratt, Harry D; Anderson, Travis M

    2013-11-28

    A series of redox flow batteries utilizing mixed addenda (vanadium and tungsten), phosphorus-based polyoxometalates (A-α-PV3W9O40(6-), B-α-PV3W9O40(6-), and P2V3W15O62(9-)) were prepared and tested. Cyclic voltammetry and bulk electrolysis experiments on the Keggin compounds (A-α-PV3W9O40(6-) and B-α-PV3W9O40(6-)) established that the vanadium centers of these compounds could be used as the positive electrode (PV(IV)3W(VI)9O40(9-)/PV(V)3W(VI)9O40(6-)), and the tungsten centers could be used as the negative electrode (PV(IV)3W(VI)9O40(9-)/PV(IV)3W(V)3W(VI)6O40(12-)) since these electrochemical processes are separated by about 1 V. The results showed that A-α-PV3W9O40(6-) (where A indicates adjacent, corner-sharing vanadium atoms) had coulombic efficiencies (charge in divided by charge out) above 80%, while the coulombic efficiency of B-α-PV3W9O40(6-) (where B indicates adjacent edge-sharing vanadium atoms) fluctuated between 50% and 70% during cycling. The electrochemical yield, a measurement of the actual charge or discharge observed in comparison with the theoretical charge, was between 40% and 50% for A-α-PV3W9O40(6-), and (31)P NMR showed small amounts of PV2W10O40(5-) and PVW11O40(4-) formed with cycling. The electrochemical yield for B-α-PV3W9O40(6-) decreased from 90% to around 60% due to precipitation of the compound on the electrode, but there were no decomposition products detected in the solution by (31)P NMR, and infrared data on the electrode suggested that the cluster remained intact. Testing of P2V3W15O62(9-) (Wells-Dawson structure) suggested higher charge density clusters were not as suitable as the Keggin structures for a redox flow battery due to the poor stability and inaccessibility of the highly reduced materials. PMID:24042471

  15. Locations of stationary/periodic solutions in mean motion resonances according to the properties of dust grains

    NASA Astrophysics Data System (ADS)

    Pástor, P.

    2016-07-01

    The equations of secular evolution for dust grains in mean motion resonances with a planet are solved for stationary points. Non-gravitational effects caused by stellar radiation (the Poynting-Robertson effect and the stellar wind) are taken into account. The solutions are stationary in the semimajor axis, eccentricity and resonant angle, but allow the pericentre to advance. The semimajor axis of stationary solutions can be slightly shifted from the exact resonant value. The periodicity of the stationary solutions in a reference frame orbiting with the planet is proved analytically. The existence of periodic solutions in mean motion resonances means that analytical theory enables infinitely long capture times for dust particles. The stationary solutions are periodic motions to which the eccentricity asymptotically approaches and around which the libration occurs. Initial conditions corresponding to the stationary solutions are successfully found by numerically integrating the equation of motion. Numerically and analytically determined shifts of the semimajor axis from the exact resonance for the stationary solutions are in excellent agreement. The stationary solutions can be plotted by the locations of pericentres in the reference frame orbiting with the planet. The pericentres are distributed in space according to the properties of the dust particles.

  16. Linear Augmentation for Stabilizing Stationary Solutions: Potential Pitfalls and Their Application

    PubMed Central

    Karnatak, Rajat

    2015-01-01

    Linear augmentation has recently been shown to be effective in targeting desired stationary solutions, suppressing bistablity, in regulating the dynamics of drive response systems and in controlling the dynamics of hidden attractors. The simplicity of the procedure is the main highlight of this scheme but questions related to its general applicability still need to be addressed. Focusing on the issue of targeting stationary solutions, this work demonstrates instances where the scheme fails to stabilize the required solutions and leads to other complicated dynamical scenarios. Examples from conservative as well as dissipative systems are presented in this regard and important applications in dissipative predator—prey systems are discussed, which include preventative measures to avoid potentially catastrophic dynamical transitions in these systems. PMID:26544879

  17. Convergence rates to stationary solutions of a gas-liquid model with external forces

    NASA Astrophysics Data System (ADS)

    Fan, Long; Liu, Qingqing; Zhu, Changjiang

    2012-10-01

    In this paper, we study the asymptotic behaviour of solutions to a gas-liquid model with external forces. Under some suitable assumptions on the initial data, if γ > 1 and \\theta\\in(0,\\frac{\\gamma}{2}]\\cap(0,\\gamma-1]\\cap(0,1-\\alpha\\gamma] , we prove the weak solution (cQ (x, t), u(x, t)) behaviour asymptotically to the stationary one by adapting and modifying the technique of weighted estimates. In addition, if \\theta\\in(0,\\frac{\\gamma}{2}]\\cap(0,\\gamma-1)\\cap(0,1-\\alpha\\gamma] , following the same idea used in Zhang and Fang (2006 Arch. Ration. Mech. Anal. 182 223-53), we estimate the stabilization rate of the solution as time tends to infinity in the sense of L∞ norm.

  18. Overview of commercialization of stationary fuel cell power plants in the United States

    SciTech Connect

    Hooie, D.T.; Williams, M.C.

    1995-07-01

    In this paper, DOE`s efforts to assist private sector organizations to develop and commercialize stationary fuel cell power plants in the United States are discussed. The paper also provides a snapshot of the status of stationary power fuel cell development occurring in the US, addressing all fuel cell types. This paper discusses general characteristics, system configurations, and status of test units and demonstration projects. The US DOE, Morgantown Energy Technology Center is the lead center for implementing DOE`s program for fuel cells for stationary power.

  19. New construction of the magnetohydrodynamic spectrum of stationary plasma flows. I. Solution path and alternator

    SciTech Connect

    Goedbloed, J. P.

    2009-12-15

    A new method of systematically constructing the full structure of the complex magnetohydrodynamic spectra of stationary flows is presented. It is based on the self-adjointness of the generalized force operator G and the Doppler-Coriolis shift operator U, and the associated quadratic forms for the normalized energy W and the normalized Doppler-Coriolis shift V, which may be constructed for all complex values of omega if the original eigenvalue problem is converted into a one-sided boundary value problem. This turns W into a complex expression, while V remains real. Whereas the solution path P{sub s} of stable modes is just the real axis, the solution path P{sub u} of unstable modes in the complex omega plane is found by requiring that the solution-averaged Doppler-Coriolis shifted real part of the frequency vanishes, sigma-V[xi(omega)]=0, or that the energy is real, Im W[xi(omega)]=0. The location of the eigenvalues on these solution paths is determined by two quadratic forms, which may straightforwardly be evaluated in any of the finite element spectral codes in existence. A new oscillation theorem is proved about the monotonicity of complex eigenvalues for one-dimensional systems. Instead of counting internal nodes of the real displacement vector xi (as in static plasmas), it is based on counting the zeros of the alternating ratio, or alternator, Rident toxi/PI of the boundary values of the complex functions xi and the total pressure perturbation PI, which is real on the solution path. This finally provides the generalization of the basic structural properties of the magnetohydrodynamic spectrum of static plasmas, which has been known for a long time, to stationary plasmas.

  20. Ferrofluid patterns in Hele-Shaw cells: Exact, stable, stationary shape solutions.

    PubMed

    Lira, Sérgio A; Miranda, José A

    2016-01-01

    We investigate a quasi-two-dimensional system composed of an initially circular ferrofluid droplet surrounded by a nonmagnetic fluid of higher density. These immiscible fluids flow in a rotating Hele-Shaw cell, under the influence of an in-plane radial magnetic field. We focus on the situation in which destabilizing bulk magnetic field effects are balanced by stabilizing centrifugal forces. In this framing, we consider the interplay of capillary and magnetic normal traction effects in determining the fluid-fluid interface morphology. By employing a vortex-sheet formalism, we have been able to find a family of exact stationary N-fold polygonal shape solutions for the interface. A weakly nonlinear theory is then used to verify that such exact interfacial solutions are in fact stable. PMID:26871176

  1. Ferrofluid patterns in Hele-Shaw cells: Exact, stable, stationary shape solutions

    NASA Astrophysics Data System (ADS)

    Lira, Sérgio A.; Miranda, José A.

    2016-01-01

    We investigate a quasi-two-dimensional system composed of an initially circular ferrofluid droplet surrounded by a nonmagnetic fluid of higher density. These immiscible fluids flow in a rotating Hele-Shaw cell, under the influence of an in-plane radial magnetic field. We focus on the situation in which destabilizing bulk magnetic field effects are balanced by stabilizing centrifugal forces. In this framing, we consider the interplay of capillary and magnetic normal traction effects in determining the fluid-fluid interface morphology. By employing a vortex-sheet formalism, we have been able to find a family of exact stationary N -fold polygonal shape solutions for the interface. A weakly nonlinear theory is then used to verify that such exact interfacial solutions are in fact stable.

  2. Stationary distribution and periodic solution for stochastic predator-prey systems with nonlinear predator harvesting

    NASA Astrophysics Data System (ADS)

    Zuo, Wenjie; Jiang, Daqing

    2016-07-01

    In this paper, we investigate the dynamics of the stochastic autonomous and non-autonomous predator-prey systems with nonlinear predator harvesting respectively. For the autonomous system, we first give the existence of the global positive solution. Then, in the case of persistence, we prove that there exists a unique stationary distribution and it has ergodicity by constructing a suitable Lyapunov function. The result shows that, the relatively weaker white noise will strengthen the stability of the system, but the stronger white noise will result in the extinction of one or two species. Particularly, for the non-autonomous periodic system, we show that there exists at least one nontrivial positive periodic solution according to the theory of Khasminskii. Finally, numerical simulations illustrate our theoretical results.

  3. Irreducible Decompositions and Stationary States of Quantum Channels

    NASA Astrophysics Data System (ADS)

    Carbone, Raffaella; Pautrat, Yan

    2016-06-01

    For a quantum channel (completely positive, trace-preserving map), we prove a generalization to the infinite-dimensional case of a result by Baumgartner and Narnhofer [3]: this result is, in a probabilistic language, a decomposition of a general quantum channel into its irreducible recurrent components. More precisely, we prove that the positive recurrent subspace (i.e. the space supporting the invariant states) can be decomposed as the direct sum of supports of extremal invariant states; this decomposition is not unique, in general, but we can determine all the possible decompositions. This allows us to describe the full structure of invariant states.

  4. Measurements of accurate x-ray scattering data of protein solutions using small stationary sample cells

    SciTech Connect

    Hong Xinguo; Hao Quan

    2009-01-15

    In this paper, we report a method of precise in situ x-ray scattering measurements on protein solutions using small stationary sample cells. Although reduction in the radiation damage induced by intense synchrotron radiation sources is indispensable for the correct interpretation of scattering data, there is still a lack of effective methods to overcome radiation-induced aggregation and extract scattering profiles free from chemical or structural damage. It is found that radiation-induced aggregation mainly begins on the surface of the sample cell and grows along the beam path; the diameter of the damaged region is comparable to the x-ray beam size. Radiation-induced aggregation can be effectively avoided by using a two-dimensional scan (2D mode), with an interval as small as 1.5 times the beam size, at low temperature (e.g., 4 deg. C). A radiation sensitive protein, bovine hemoglobin, was used to test the method. A standard deviation of less than 5% in the small angle region was observed from a series of nine spectra recorded in 2D mode, in contrast to the intensity variation seen using the conventional stationary technique, which can exceed 100%. Wide-angle x-ray scattering data were collected at a standard macromolecular diffraction station using the same data collection protocol and showed a good signal/noise ratio (better than the reported data on the same protein using a flow cell). The results indicate that this method is an effective approach for obtaining precise measurements of protein solution scattering.

  5. Stationary solutions of a free boundary problem modeling the growth of tumors with Gibbs-Thomson relation

    NASA Astrophysics Data System (ADS)

    Wu, Junde

    2016-04-01

    In this paper we study a free boundary problem modeling tumor growth. The model consists of two elliptic equations describing nutrient diffusion and pressure distribution within tumors, respectively, and a first-order partial differential equation governing the free boundary, on which a Gibbs-Thomson relation is taken into account. We first show that the problem may have none, one or two radial stationary solutions depending on model parameters. Then by bifurcation analysis we show that there exist infinite many branches of non-radial stationary solutions bifurcating from given radial stationary solution. The result implies that cell-to-cell adhesiveness is the key parameter which plays a crucial role on tumor invasion.

  6. X-Ray Solution Scattering Study of Four Escherichia coli Enzymes Involved in Stationary-Phase Metabolism

    PubMed Central

    Dadinova, Liubov A.; Shtykova, Eleonora V.; Konarev, Petr V.; Rodina, Elena V.; Snalina, Natalia E.; Vorobyeva, Natalia N.; Kurilova, Svetlana A.; Nazarova, Tatyana I.; Jeffries, Cy M.; Svergun, Dmitri I.

    2016-01-01

    The structural analyses of four metabolic enzymes that maintain and regulate the stationary growth phase of Escherichia coli have been performed primarily drawing on the results obtained from solution small angle X-ray scattering (SAXS) and other structural techniques. The proteins are (i) class I fructose-1,6-bisphosphate aldolase (FbaB); (ii) inorganic pyrophosphatase (PPase); (iii) 5-keto-4-deoxyuronate isomerase (KduI); and (iv) glutamate decarboxylase (GadA). The enzyme FbaB, that until now had an unknown structure, is predicted to fold into a TIM-barrel motif that form globular protomers which SAXS experiments show associate into decameric assemblies. In agreement with previously reported crystal structures, PPase forms hexamers in solution that are similar to the previously reported X-ray crystal structure. Both KduI and GadA that are responsible for carbohydrate (pectin) metabolism and acid stress responses, respectively, form polydisperse mixtures consisting of different oligomeric states. Overall the SAXS experiments yield additional insights into shape and organization of these metabolic enzymes and further demonstrate the utility of hybrid methods, i.e., solution SAXS combined with X-ray crystallography, bioinformatics and predictive 3D-structural modeling, as tools to enrich structural studies. The results highlight the structural complexity that the protein components of metabolic networks may adopt which cannot be fully captured using individual structural biology techniques. PMID:27227414

  7. X-Ray Solution Scattering Study of Four Escherichia coli Enzymes Involved in Stationary-Phase Metabolism.

    PubMed

    Dadinova, Liubov A; Shtykova, Eleonora V; Konarev, Petr V; Rodina, Elena V; Snalina, Natalia E; Vorobyeva, Natalia N; Kurilova, Svetlana A; Nazarova, Tatyana I; Jeffries, Cy M; Svergun, Dmitri I

    2016-01-01

    The structural analyses of four metabolic enzymes that maintain and regulate the stationary growth phase of Escherichia coli have been performed primarily drawing on the results obtained from solution small angle X-ray scattering (SAXS) and other structural techniques. The proteins are (i) class I fructose-1,6-bisphosphate aldolase (FbaB); (ii) inorganic pyrophosphatase (PPase); (iii) 5-keto-4-deoxyuronate isomerase (KduI); and (iv) glutamate decarboxylase (GadA). The enzyme FbaB, that until now had an unknown structure, is predicted to fold into a TIM-barrel motif that form globular protomers which SAXS experiments show associate into decameric assemblies. In agreement with previously reported crystal structures, PPase forms hexamers in solution that are similar to the previously reported X-ray crystal structure. Both KduI and GadA that are responsible for carbohydrate (pectin) metabolism and acid stress responses, respectively, form polydisperse mixtures consisting of different oligomeric states. Overall the SAXS experiments yield additional insights into shape and organization of these metabolic enzymes and further demonstrate the utility of hybrid methods, i.e., solution SAXS combined with X-ray crystallography, bioinformatics and predictive 3D-structural modeling, as tools to enrich structural studies. The results highlight the structural complexity that the protein components of metabolic networks may adopt which cannot be fully captured using individual structural biology techniques. PMID:27227414

  8. Quasi-stationary states and a classification of the range of pair interactions

    SciTech Connect

    Gabrielli, A.; Joyce, M.; Marcos, B.

    2011-03-24

    Systems of long-range interacting particles present typically 'quasi-stationary' states (QSS). Investigating their lifetime for a generic pair interaction V(r{yields}{infinity}){approx}1/r{sup {gamma}} we give a classification of the range of the interactions according to the dynamical properties of the system.

  9. Lévy flights and nonhomogenous memory effects: Relaxation to a stationary state.

    PubMed

    Srokowski, Tomasz

    2015-07-01

    The non-Markovian stochastic dynamics involving Lévy flights and a potential in the form of a harmonic and nonlinear oscillator is discussed. The subordination technique is applied and the memory effects, which are nonhomogeneous, are taken into account by a position-dependent subordinator. In the nonlinear case, the asymptotic stationary states are found. The relaxation pattern to the stationary state is derived for the quadratic potential: the density decays like a linear combination of the Mittag-Leffler functions. It is demonstrated that in the latter case the density distribution satisfies a fractional Fokker-Planck equation. The densities for the nonlinear oscillator reveal a complex picture, qualitatively dependent on the potential strength, and the relaxation pattern is exponential at large time. PMID:26274142

  10. The stationary resonance fluorescence of a two-level atom in a cat-state field

    NASA Astrophysics Data System (ADS)

    Tomilin, V. A.; Il'ichov, L. V.

    2016-09-01

    We investigate the resonance fluorescence of a two-level atom placed in non-classical field which is a superposition of Glauber coherent states. The source of this superposition known under the common name of 'Schrödinger cat'-states is explicitly incorporated into the model. This let us to explore the stationary regime. In the strong (multiphoton) field limit the steady-state of the atom+photons system is found. We evaluated the spectrum of the resonance fluorescence. It appears to be one-component in contrast to the case with the classical external field.

  11. Nonlinear, stationary electrostatic ion cyclotron waves: Exact solutions for solitons, periodic waves, and wedge shaped waveforms

    SciTech Connect

    McKenzie, J. F.; Doyle, T. B.; Rajah, S. S.

    2012-11-15

    The theory of fully nonlinear stationary electrostatic ion cyclotron waves is further developed. The existence of two fundamental constants of motion; namely, momentum flux density parallel to the background magnetic field and energy density, facilitates the reduction of the wave structure equation to a first order differential equation. For subsonic waves propagating sufficiently obliquely to the magnetic field, soliton solutions can be constructed. Importantly, analytic expressions for the amplitude of the soliton show that it increases with decreasing wave Mach number and with increasing obliquity to the magnetic field. In the subsonic, quasi-parallel case, periodic waves exist whose compressive and rarefactive amplitudes are asymmetric about the 'initial' point. A critical 'driver' field exists that gives rise to a soliton-like structure which corresponds to infinite wavelength. If the wave speed is supersonic, periodic waves may also be constructed. The aforementioned asymmetry in the waveform arises from the flow being driven towards the local sonic point in the compressive phase and away from it in the rarefactive phase. As the initial driver field approaches the critical value, the end point of the compressive phase becomes sonic and the waveform develops a wedge shape. This feature and the amplitudes of the compressive and rarefactive portions of the periodic waves are illustrated through new analytic expressions that follow from the equilibrium points of a wave structure equation which includes a driver field. These expressions are illustrated with figures that illuminate the nature of the solitons. The presently described wedge-shaped waveforms also occur in water waves, for similar 'transonic' reasons, when a Coriolis force is included.

  12. An HPLC chromatographic framework to analyze the β-cyclodextrin/solute complexation mechanism using a carbon nanotube stationary phase.

    PubMed

    Aljhni, Rania; Andre, Claire; Lethier, Lydie; Guillaume, Yves Claude

    2015-11-01

    A carbon nanotube (CNT) stationary phase was used for the first time to study the β-cyclodextrin (β-CD) solute complexation mechanism using high performance liquid chromatography (HPLC). For this, the β-CD was added at various concentrations in the mobile phase and the effect of column temperature was studied on both the retention of a series of aniline and benzoic acid derivatives with the CNT stationary phase and their complexation mechanism with β-CD. A decrease in the solute retention factor was observed for all the studied molecules without change in the retention order. The apparent formation constant KF of the inclusion complex β-CD/solute was determined at various temperatures. Our results showed that the interaction of β-CD with both the mobile phase and the stationary phase interfered in the complex formation. The enthalpy and entropy of the complex formation (ΔHF and ΔSF) between the solute molecule and CD were determined using a thermodynamic approach. Negative enthalpies and entropies indicated that the inclusion process of the studied molecule in the CD cavity was enthalpically driven and that the hydrogen bonds between carboxylic or aniline groups and the functional groups on the β-CD rim play an important role in the complex formation. PMID:26452814

  13. Attractor nonequilibrium stationary states in perturbed long-range interacting systems

    NASA Astrophysics Data System (ADS)

    Joyce, Michael; Morand, Jules; Viot, Pascal

    2016-05-01

    Isolated long-range interacting particle systems appear generically to relax to nonequilibrium states ("quasistationary states" or QSSs) which are stationary in the thermodynamic limit. A fundamental open question concerns the "robustness" of these states when the system is not isolated. In this paper we explore, using both analytical and numerical approaches to a paradigmatic one-dimensional model, the effect of a simple class of perturbations. We call them "internal local perturbations" in that the particle energies are perturbed at collisions in a way which depends only on the local properties. Our central finding is that the effect of the perturbations is to drive all the very different QSSs we consider towards a unique QSS. The latter is thus independent of the initial conditions of the system, but determined instead by both the long-range forces and the details of the perturbations applied. Thus in the presence of such a perturbation the long-range system evolves to a unique nonequilibrium stationary state, completely different from its state in absence of the perturbation, and it remains in this state when the perturbation is removed. We argue that this result may be generic for long-range interacting systems subject to perturbations which are dependent on the local properties (e.g., spatial density or velocity distribution) of the system itself.

  14. Stationary bound states of massless scalar fields around black holes and black hole analogues

    NASA Astrophysics Data System (ADS)

    Benone, Carolina L.; Crispino, Luís C. B.; Herdeiro, Carlos A. R.; Radu, Eugen

    2015-06-01

    We discuss stationary bound states, a.k.a. clouds, for a massless test scalar field around Kerr black holes (BHs) and spinning acoustic BH analogues. In view of the absence of a mass term, the trapping is achieved via enclosing the BH — scalar field system in a cavity and imposing Dirichlet or Neumann boundary conditions. We discuss the variation of these bounds states with the discrete parameters that label them, as well as their spatial distribution, complementing results in our previous work [C. L. Benone, L. C. B. Crispino, C. Herdeiro and E. Radu, Phys. Rev. D91 (2015) 104038].

  15. Overdamped motion of interacting particles in general confining potentials: time-dependent and stationary-state analyses

    NASA Astrophysics Data System (ADS)

    Ribeiro, M. S.; Nobre, F. D.; Curado, E. M. F.

    2012-12-01

    By comparing numerical and analytical results, it is shown that a system of interacting particles under overdamped motion is very well described by a nonlinear Fokker-Planck equation, which can be associated with nonextensive statistical mechanics. The particle-particle interactions considered are repulsive, motivated by three different physical situations: (i) modified Bessel function, commonly used in vortex-vortex interactions, relevant for the flux-front penetration in disordered type-II superconductors; (ii) Yukawa-like forces, useful for charged particles in plasma, or colloidal suspensions; (iii) derived from a Gaussian potential, common in complex fluids, like polymer chains dispersed in a solvent. Moreover, the system is subjected to a general confining potential, φ( x) = ( α| x| z )/ z ( α > 0 , z > 1), so that a stationary state is reached after a sufficiently long time. Recent numerical and analytical investigations, considering interactions of type (i) and a harmonic confining potential ( z = 2), have shown strong evidence that a q-Gaussian distribution, P( x,t), with q = 0, describes appropriately the particle positions during their time evolution, as well as in their stationary state. Herein we reinforce further the connection with nonextensive statistical mechanics, by presenting numerical evidence showing that: (a) in the case z = 2, different particle-particle interactions only modify the diffusion parameter D of the nonlinear Fokker-Planck equation; (b) for z ≠ 2, all cases investigated fit well the analytical stationary solution P st( x), given in terms of a q-exponential (with the same index q = 0) of the general external potential φ( x). In this later case, we propose an approximate time-dependent P( x,t) (not known analytically for z ≠ 2), which is in very good agreement with the simulations for a large range of times, including the approach to the stationary state. The present work suggests that a wide variety of physical phenomena

  16. Dynamics and stability of stationary states for the spin-1 Bose-Einstein condensates in a standing light wave

    NASA Astrophysics Data System (ADS)

    Wang, Deng-Shan; Han, Wei; Shi, Yuren; Li, Zaidong; Liu, Wu-Ming

    2016-07-01

    The spin-1 Bose-Einstein condensates trapped in a standing light wave can be described by three coupled Gross-Pitaevskii equations with a periodic potential. In this paper, nine families of stationary solutions without phase structures in the form of Jacobi elliptic functions are proposed, and their stabilities are analyzed by both linear stability analysis and dynamical evolutions. Taking the ferromagnetic 87Rb atoms and antiferromagnetic (polar) 23Na atoms as examples, we investigate the stability regions of the nine stationary solutions, which are given in term of elliptic modulus k. It is shown that for the same stationary solution the stability regions of condensates with antiferromagnetic (polar) spin-dependent interactions are larger than that of the condensates with ferromagnetic ones. The dn-dn-dn stationary solution is the most stable solution among the nine families of stationary solutions. Moreover, in the same standing light wave, the spin-1 Bose-Einstein condensates are more stable than the scalar Bose-Einstein condensate.

  17. Stability of stationary solutions to the outflow problem for full compressible Navier-Stokes equations with large initial perturbation

    NASA Astrophysics Data System (ADS)

    Wan, Ling; Wang, Tao; Zou, Qingyang

    2016-04-01

    We investigate the large-time behavior of solutions to an outflow problem of the compressible Navier-Stokes equations for viscous and heat-conducting ideal polytropic gases in the half line. The non-degenerate stationary solution is shown to be asymptotically stable under large initial perturbation with no restriction on the adiabatic exponent, provided that the boundary strength is sufficiently small. The proofs are based on the nonlinear energy estimates and the crucial step is to obtain positive lower and upper bounds of the density and the temperature uniformly in time and space.

  18. Stability and hierarchy of quasi-stationary states: financial markets as an example

    NASA Astrophysics Data System (ADS)

    Stepanov, Yuriy; Rinn, Philip; Guhr, Thomas; Peinke, Joachim; Schäfer, Rudi

    2015-08-01

    We combine geometric data analysis and stochastic modeling to describe the collective dynamics of complex systems. As an example we apply this approach to financial data and focus on the non-stationarity of the market correlation structure. We identify the dominating variable and extract its explicit stochastic model. This allows us to establish a connection between its time evolution and known historical events on the market. We discuss the dynamics, the stability and the hierarchy of the recently proposed quasi-stationary market states.

  19. Stationary state Kohn-Sham Theory: Modern algorithms breathe new life into an old theory

    NASA Astrophysics Data System (ADS)

    Gunceler, Deniz; Sundararaman, Ravishankar; Arias, T. A.

    2014-03-01

    In this talk, we will discuss stationary-state Kohn-Sham theory, an old (Phys. Rev. B 31, 6264-6272) but largely ignored idea that is recently undergoing revival. It is based on an in-principle exact scheme in which excited states are computed as the stationary states of the Hohenberg-Kohn functional. We will discuss the objections of Gaudoin and Burke (Phys. Rev. Lett. 93, 17), and also describe the computational difficulties which prevented this theory from becoming popular in the past, and present new algorithms for computing the predictions of this theory. The resulting technique has inherent computational advantages over TDDFT and GW, and results using semilocal functionals show great promise for molecules. However, the method as implemented exhibits large errors for solids. In this talk, we shall show that the origin of this behaviour is related to the fact that different errors dominate the solid and molecular cases, and we shall discuss prospects for improvement of the theory in the future.

  20. Sucrose dependence of solute retention on human serum albumin stationary phase: hydrophobic effect and surface tension considerations.

    PubMed

    Peyrin, E; Guillaume, Y C; Morin, N; Guinchard, C

    1998-07-15

    In a chromatographic system using human serum albumin (HSA) as a stationary phase, D,L dansyl amino acids as solutes, and sucrose as a mobile-phase modifier, a study on the surface tension effect of sugar on compound retention was carried out by varying the salting-out agent concentration c and the column temperature T. The thermodynamic parameters for solute transfer from the mobile to the stationary phase were determined from linear van't Hoff plots. An enthalpy-entropy compensation study revealed that the type of interaction between solute and HSA was independent of the molecular structure of the dansyl amino acids and the mobile-phase composition. An analysis of the experimental variations in the retention factor and the enantioselectivity values with c was performed using a theoretical model. It was shown that the decrease in solute retention accompanying the sucrose concentration increase was principally governed by a structural rearrangement of the binding cavity due to the increased surface tension effects. The cavity apolar residues were assumed to fold out of contact with the medium in order to reduce the surface area accessible to sucrose molecules, thus implying a restriction of the curvature radius of the cavity. Such behavior caused a decrease in the hydrophobic interaction for ligand binding on HSA explaining the observed thermodynamic parameter trends over the sucrose concentration range. PMID:9684542

  1. Hydrodynamics of shock waves with reflected particles. I. Rankine-Hugoniot relations and stationary solutions

    SciTech Connect

    Dasgupta, B.; Burrows, R.; Zank, G. P.; Webb, G. M.

    2006-08-15

    In this work we investigate how reflected particles modify the Rankine-Hugoniot (RH) relations in a simple hydrodynamical framework. It is assumed that the ions are specularly reflected by the cross-shock potential. For simplicity, an exactly perpendicular shock is assumed, thus other reflection mechanisms, such as magnetic mirroring, can be neglected. Momentum and energy terms are introduced to model reflected particles at the shock and the RH conditions are examined using a geometrical entropy condition to distinguish the physically relevant states. Although such shocks have some common features with combustion shocks within a narrow range of reflection parameters, for a wide range of reflection parameters, particularly for highly oblique shocks, Chapman-Jouguet solutions do not exist. It is conjectured that these shocks comprise a distinct class. Decelerated solutions of the RH conditions are shown to exist only under specific conditions for shocks with reflected particles. Velocity flows both parallel and oblique to the perpendicular shock (with respect to an upstream magnetic field) are considered and found to be strongly sheared.

  2. Stationary distribution of self-organized states and biological information generation

    PubMed Central

    Woo, Hyung Jun

    2013-01-01

    Self-organization, where spontaneous orderings occur under driven conditions, is one of the hallmarks of biological systems. We consider a statistical mechanical treatment of the biased distribution of such organized states, which become favored as a result of their catalytic activity under chemical driving forces. A generalization of the equilibrium canonical distribution describes the stationary state, which can be used to model shifts in conformational ensembles sampled by an enzyme in working conditions. The basic idea is applied to the process of biological information generation from random sequences of heteropolymers, where unfavorable Shannon entropy is overcome by the catalytic activities of selected genes. The ordering process is demonstrated with the genetic distance to a genotype with high catalytic activity as an order parameter. The resulting free energy can have multiple minima, corresponding to disordered and organized phases with first-order transitions between them. PMID:24281357

  3. Stationary State After a Quench to the Lieb-Liniger from Rotating BECs

    NASA Astrophysics Data System (ADS)

    Bucciantini, Leda

    2016-08-01

    We study long-time dynamics of a bosonic system after suddenly switching on repulsive delta-like interactions. As initial states, we consider two experimentally relevant configurations: a rotating BEC and two counter-propagating BECs with opposite momentum, both on a ring. In the first case, the rapidity distribution function for the stationary state is derived analytically and it is given by the distribution obtained for the same quench starting from a BEC, shifted by the momentum of each boson. In the second case, the rapidity distribution function is obtained numerically for generic values of repulsive interaction and initial momentum. The significant differences for the case of large versus small quenches are discussed.

  4. Stationary spectroscopy of biotissues in vivo: Fluorescent studies of some pathological states

    NASA Astrophysics Data System (ADS)

    Giraev, K. M.; Ashurbekov, N. A.; Medzhidov, R. T.

    2003-11-01

    The stationary spectra of autofluorescence, along with the reflection coefficient at the wavelength of excitation, are measured in vivo for some stomach tissues in the case of different pathological states (dysplasia, superficial gastritis, and cancer) using a nitrogen laser as the source of excitation (λrad=337.1 nm). The fluorescence spectra obtained are decomposed into Gaussian-Lorentzian components. It is found that, in development of dysplasia and tumor processes, at least seven groups of fluorophores can be distinguished that form the entire emission spectrum. The ratio between the fluorescence intensities of flavins and NAD(P)H is determined and the degree of respiratory activity of cells estimated for the states considered. The quantum yields of fluorescence of the biotissues under investigation are estimated.

  5. Core-halo quasi-stationary states in the Hamiltonian mean-field model

    NASA Astrophysics Data System (ADS)

    Konishi, Eiji

    2016-04-01

    A characteristic feature of long-range interacting systems is that they become trapped in a non-equilibrium and long-lived quasi-stationary state (QSS) during the early stages of their development. We present a comprehensive review of recent studies of the core-halo structure of QSSs, in the Hamiltonian mean-field model (HMF), which is a mean-field model of mutually coupled ferromagnetic XY spins located at a point, obtained by starting from various unsteady rectangular water-bag type initial phase-space distributions. The main result exposed in this review is that the core-halo structure can be described by the superposition of two independent Lynden-Bell distributions. We discuss the completeness of collisionless relaxation of this double Lynden-Bell distribution by using both of Lynden-Bell entropy and double Lynden-Bell entropy for the systems at low energies per particle.

  6. Numerical method for solution of systems of non-stationary spatially one-dimensional nonlinear differential equations

    NASA Technical Reports Server (NTRS)

    Morozov, S. K.; Krasitskiy, O. P.

    1978-01-01

    A computational scheme and a standard program is proposed for solving systems of nonstationary spatially one-dimensional nonlinear differential equations using Newton's method. The proposed scheme is universal in its applicability and its reduces to a minimum the work of programming. The program is written in the FORTRAN language and can be used without change on electronic computers of type YeS and BESM-6. The standard program described permits the identification of nonstationary (or stationary) solutions to systems of spatially one-dimensional nonlinear (or linear) partial differential equations. The proposed method may be used to solve a series of geophysical problems which take chemical reactions, diffusion, and heat conductivity into account, to evaluate nonstationary thermal fields in two-dimensional structures when in one of the geometrical directions it can take a small number of discrete levels, and to solve problems in nonstationary gas dynamics.

  7. Numerical models for stationary superfluid neutron stars in general relativity with realistic equations of state

    NASA Astrophysics Data System (ADS)

    Sourie, Aurélien; Oertel, Micaela; Novak, Jérôme

    2016-04-01

    We present a numerical model for uniformly rotating superfluid neutron stars in a fully general relativistic framework with, for the first time, realistic microphysics including entrainment. We compute stationary and axisymmetric configurations of neutron stars composed of two fluids, namely superfluid neutrons and charged particles (protons and electrons), rotating with different rates around a common axis. Both fluids are coupled by entrainment, a nondissipative interaction which in the case of a nonvanishing relative velocity between the fluids causes the fluid momenta to be not aligned with the respective fluid velocities. We extend the formalism put forth by Comer and Joynt in order to calculate the equation of state (EOS) and entrainment parameters for an arbitrary relative velocity as far as superfluidity is maintained. The resulting entrainment matrix fulfills all necessary sum rules, and in the limit of small relative velocity our results agree with Fermi liquid theory ones derived to lowest order in the velocity. This formalism is applied to two new nuclear equations of state which are implemented in the numerical model, which enables us to obtain precise equilibrium configurations. The resulting density profiles and moments of inertia are discussed employing both EOSs, showing the impact of entrainment and the dependence on the EOS.

  8. Integrable parameter regimes and stationary states of nonlinearly coupled electromagnetic and ion-acoustic waves

    SciTech Connect

    Rao, N.N.

    1998-01-01

    A systematic analysis of the stationary propagation of nonlinearly coupled electromagnetic and ion-acoustic waves in an unmagnetized plasma via the ponderomotive force is carried out. For small but finite amplitudes, the governing equations have a Hamiltonian structure, but with a kinetic energy term that is not positive definite. The Hamiltonian is similar to the well-known H{acute e}non{endash}Heiles Hamiltonian of nonlinear dynamics, and is completely integrable in three regimes of the allowed parameter space. The corresponding second invariants of motion are also explicitly obtained. The integrable parameter regimes correspond to supersonic values of the Mach number, which characterizes the propagation speed of the coupled waves. On the other hand, in the sub- as well as near-sonic regimes, the coupled mode equations admit different types of exact analytical solutions, which represent nonlinear localized eigenstates of the electromagnetic field trapped in the density cavity due to the ponderomotive potential. While the density cavity has always a single-dip structure, for larger amplitudes it can support higher-order modes having a larger number of nodes in the electromagnetic field. In particular, we show the existence of a new type of localized electromagnetic wave whose field intensity has a triple-hump structure. For typical parameter values, the triple-hump solitons propagate with larger Mach numbers that are closer to the sonic limit than the single- as well as the double-hump solitons, but carry a lesser amount of the electromagnetic field energy. A comparison between the different types of solutions is carried out. The possibility of the existence of trapped electromagnetic modes having a larger number of humps is also discussed. {copyright} {ital 1998 American Institute of Physics.}

  9. Stationary states of fermions in a sign potential with a mixed vector–scalar coupling

    SciTech Connect

    Castilho, W.M. Castro, A.S. de

    2014-01-15

    The scattering of a fermion in the background of a sign potential is considered with a general mixing of vector and scalar Lorentz structures with the scalar coupling stronger than or equal to the vector coupling under the Sturm–Liouville perspective. When the vector coupling and the scalar coupling have different magnitudes, an isolated solution shows that the fermion under a strong potential can be trapped in a highly localized region without manifestation of Klein’s paradox. It is also shown that the lonely bound-state solution disappears asymptotically as one approaches the conditions for the realization of spin and pseudospin symmetries. -- Highlights: •Scattering of fermions in a sign potential assessed under a Sturm–Liouville perspective. •An isolated bounded solution. •No pair production despite the high localization. •No bounded solution under exact spin and pseudospin symmetries.

  10. Determination of solute partition behavior with room-temperature ionic liquid based micellar gas-liquid chromatography stationary phases using the pseudophase model.

    PubMed

    Lantz, Andrew W; Pino, Verónica; Anderson, Jared L; Armstrong, Daniel W

    2006-05-19

    The use of micelles in ionic liquid based gas-chromatography stationary phases was evaluated using equations derived for a "three-phase" model. This model allows the determination of all three partition coefficients involved in the system, and elucidates the micellar contribution to retention and selectivity. Four types of micellar-ionic liquid columns were examined in this study: 1-butyl-3-methylimidazolium chloride with sodium dodecylsulfate or dioctyl sulfosuccinate, and 1-butyl-3-methylimidazolium hexafluorophosphate with polyoxyethylene-100-stearyl ether or polyoxyethylene-23-lauryl ether. The partition coefficients were measured for a wide range of probe molecules capable of a variety of types and magnitudes of interactions. In general, most probe molecules preferentially partitioned to the micellar pseudophase over the bulk ionic liquid component of the stationary phase. Therefore, addition of surfactant to the stationary phase usually resulted in greater solute retention. It is also shown that the selectivity of the stationary phase is significantly altered by the presence of micelles, either by enhancing or lessening the separation. The effects of surfactant on the interaction parameters of the stationary phase are determined using the Abraham solvation parameter model. The addition of sodium dodecylsulfate and dioctyl sulfosuccinate to 1-butyl-3-methylimidazolium chloride stationary phases generally increased the phase's hydrogen bond basicity and increased the level of dispersion interaction. Polyoxyethylene-100-stearyl ether and polyoxyethylene-23-lauryl ether surfactants, however, enhanced the pi-pi/n-pi, polarizability/dipolarity, and hydrogen bond basicity interactions of 1-butyl-3-methylimidazolium hexafluorophosphate to a greater degree than the ionic surfactants with 1-butyl-3-methylimidazolium chloride. However, these nonionic surfactants appeared to hinder the ability of the stationary phase to interact with solutes via dispersion forces

  11. Infinitely many solutions for the stationary Kirchhoff problems involving the fractional p-Laplacian

    NASA Astrophysics Data System (ADS)

    Mingqi, Xiang; Molica Bisci, Giovanni; Tian, Guohua; Zhang, Binlin

    2016-02-01

    The aim of this paper is to establish the multiplicity of weak solutions for a Kirchhoff-type problem driven by a fractional p-Laplacian operator with homogeneous Dirichlet boundary conditions: where Ω is an open bounded subset of {{{R}}N} with Lipshcitz boundary \\partial Ω , (-Δ )ps is the fractional p-Laplacian operator with 0  <  s  <  1  <  p  <  N such that sp  <  N, M is a continuous function and f is a Carathéodory function satisfying the Ambrosetti-Rabinowitz-type condition. When f satisfies the suplinear growth condition, we obtain the existence of a sequence of nontrivial solutions by using the symmetric mountain pass theorem; when f satisfies the sublinear growth condition, we obtain infinitely many pairs of nontrivial solutions by applying the Krasnoselskii genus theory. Our results cover the degenerate case in the fractional setting: the Kirchhoff function M can be zero at zero.

  12. Stationary states of a pair of tangent identical vortex spots in a barotropic ocean

    NASA Astrophysics Data System (ADS)

    Shavlyugin, A. I.

    2016-01-01

    The method for constructing limiting forms of steady states of vortex patches characterized by the presence of corners on the boundary is presented. The method is based on a continuation of the solution (the streamline which must coincide with the vortex boundary) when passing through the singular point to those part of the common vortex border whose tangent is continuous at the critical point. Limiting steady states of a pair of identical touching vortex patches are constructed for the cases of unlimited and circular barotropic oceans. It is found that, for the case of a circular ocean, the solution of maximum area is the domain bounded by two diameters intersecting at right angles. This conclusion is also valid for an unlimited ocean when the vortex pair of infinite area takes even/odd quadrants whose boundaries are formed by the asymptotes of solutions of finite area. The results add new members to the set of known exact analytical solutions of the problem of steady states of vortex patches.

  13. The generation of stationary π-electron rotations in chiral aromatic ring molecules possessing non-degenerate excited states.

    PubMed

    Yamaki, Masahiro; Teranishi, Yoshiaki; Nakamura, Hiroki; Lin, Sheng Hsien; Fujimura, Yuichi

    2016-01-21

    The electron angular momentum is a fundamental quantity of high-symmetry aromatic ring molecules and finds many applications in chemistry such as molecular spectroscopy. The stationary angular momentum or unidirectional rotation of π electrons is generated by the excitation of a degenerated electronic excited state by a circularly-polarized photon. For low-symmetry aromatic ring molecules having non-degenerate states, such as chiral aromatic ring molecules, on the other hand, whether stationary angular momentum can be generated or not is uncertain and has not been clarified so far. We have found by both theoretical treatments and quantum optimal control (QOC) simulations that a stationary angular momentum can be generated even from a low-symmetry aromatic ring molecule. The generation mechanism can be explained in terms of the creation of a dressed-state, and the maximum angular momentum is generated by the dressed state with an equal contribution from the relevant two excited states in a simple three-electronic state model. The dressed state is formed by inducing selective nonresonant transitions between the ground and each excited state by two lasers with the same frequency but having different polarization directions. The selective excitation can be carried out by arranging each photon-polarization vector orthogonal to the electronic transition moment of the other transition. We have successfully analyzed the results of the QOC simulations of (P)-2,2'-biphenol of axial chirality in terms of the analytically determined optimal laser fields. The present findings may open up new types of chemical dynamics and spectroscopy by utilizing strong stationary ring currents and current-induced magnetic fields, which are created at a local site of large compounds such as biomolecules. PMID:26670839

  14. A Stationary North-Finding Scheme for an Azimuth Rotational IMU Utilizing a Linear State Equality Constraint

    PubMed Central

    Yu, Huapeng; Zhu, Hai; Gao, Dayuan; Yu, Meng; Wu, Wenqi

    2015-01-01

    The Kalman filter (KF) has always been used to improve north-finding performance under practical conditions. By analyzing the characteristics of the azimuth rotational inertial measurement unit (ARIMU) on a stationary base, a linear state equality constraint for the conventional KF used in the fine north-finding filtering phase is derived. Then, a constrained KF using the state equality constraint is proposed and studied in depth. Estimation behaviors of the concerned navigation errors when implementing the conventional KF scheme and the constrained KF scheme during stationary north-finding are investigated analytically by the stochastic observability approach, which can provide explicit formulations of the navigation errors with influencing variables. Finally, multiple practical experimental tests at a fixed position are done on a postulate system to compare the stationary north-finding performance of the two filtering schemes. In conclusion, this study has successfully extended the utilization of the stochastic observability approach for analytic descriptions of estimation behaviors of the concerned navigation errors, and the constrained KF scheme has demonstrated its superiority over the conventional KF scheme for ARIMU stationary north-finding both theoretically and practically. PMID:25688588

  15. A stationary north-finding scheme for an azimuth rotational IMU utilizing a linear state equality constraint.

    PubMed

    Yu, Huapeng; Zhu, Hai; Gao, Dayuan; Yu, Meng; Wu, Wenqi

    2015-01-01

    The Kalman filter (KF) has always been used to improve north-finding performance under practical conditions. By analyzing the characteristics of the azimuth rotational inertial measurement unit (ARIMU) on a stationary base, a linear state equality constraint for the conventional KF used in the fine north-finding filtering phase is derived. Then, a constrained KF using the state equality constraint is proposed and studied in depth. Estimation behaviors of the concerned navigation errors when implementing the conventional KF scheme and the constrained KF scheme during stationary north-finding are investigated analytically by the stochastic observability approach, which can provide explicit formulations of the navigation errors with influencing variables. Finally, multiple practical experimental tests at a fixed position are done on a postulate system to compare the stationary north-finding performance of the two filtering schemes. In conclusion, this study has successfully extended the utilization of the stochastic observability approach for analytic descriptions of estimation behaviors of the concerned navigation errors, and the constrained KF scheme has demonstrated its superiority over the conventional KF scheme for ARIMU stationary north-finding both theoretically and practically. PMID:25688588

  16. Separation of stationary and non-stationary sources with a generalized eigenvalue problem.

    PubMed

    Hara, Satoshi; Kawahara, Yoshinobu; Washio, Takashi; von Bünau, Paul; Tokunaga, Terumasa; Yumoto, Kiyohumi

    2012-09-01

    Non-stationary effects are ubiquitous in real world data. In many settings, the observed signals are a mixture of underlying stationary and non-stationary sources that cannot be measured directly. For example, in EEG analysis, electrodes on the scalp record the activity from several sources located inside the brain, which one could only measure invasively. Discerning stationary and non-stationary contributions is an important step towards uncovering the mechanisms of the data generating system. To that end, in Stationary Subspace Analysis (SSA), the observed signal is modeled as a linear superposition of stationary and non-stationary sources, where the aim is to separate the two groups in the mixture. In this paper, we propose the first SSA algorithm that has a closed form solution. The novel method, Analytic SSA (ASSA), is more than 100 times faster than the state-of-the-art, numerically stable, and guaranteed to be optimal when the covariance between stationary and non-stationary sources is time-constant. In numerical simulations on wide range of settings, we show that our method yields superior results, even for signals with time-varying group-wise covariance. In an application to geophysical data analysis, ASSA extracts meaningful components that shed new light on the Pi 2 pulsations of the geomagnetic field. PMID:22551683

  17. Pressure tensor in the presence of velocity shear: Stationary solutions and self-consistent equilibria

    SciTech Connect

    Cerri, S. S.; Pegoraro, F.; Califano, F.; Jenko, F.

    2014-11-15

    Observations and numerical simulations of laboratory and space plasmas in almost collisionless regimes reveal anisotropic and non-gyrotropic particle distribution functions. We investigate how such states can persist in the presence of a sheared flow. We focus our attention on the pressure tensor equation in a magnetized plasma and derive analytical self-consistent plasma equilibria which exhibit a novel asymmetry with respect to the magnetic field direction. These results are relevant for investigating, within fluid models that retain the full pressure tensor dynamics, plasma configurations where a background shear flow is present.

  18. A family of approximate solutions and explicit error estimates for the nonlinear stationary Navier-Stokes problem

    NASA Technical Reports Server (NTRS)

    Gabrielsen, R. E.; Karel, S.

    1975-01-01

    An algorithm for solving the nonlinear stationary Navier-Stokes problem is developed. Explicit error estimates are given. This mathematical technique is potentially adaptable to the separation problem.

  19. Stationary and transient thermal states of barometric pumping in the access pit of an underground quarry.

    PubMed

    Perrier, Frédéric; Le Mouël, Jean-Louis

    2016-04-15

    The transition zone between free and underground atmospheres hosts spectacular phenomena, as demonstrated by temperature measurements performed in the 4.6m diameter and 20m deep vertical access pit of an abandoned underground quarry located in Vincennes, near Paris. In summer, a stable stratification of the atmosphere is maintained, with coherent temperature variations associated with atmospheric pressure changes, with a barometric tide S2 larger than 0.1°C peak to peak. When the winter regime of turbulent cold air avalanches is initiated, stratification with pressure induced signals can be restored transiently in the upper part of the pit, while the lower part remains fully mixed and insensitive to pressure variations. The amplitude of the pressure to temperature transfer function increases with frequency below 5×10(-4)Hz, with values at 3×10(-5)Hz varying from 0.1°C·hPa(-1) at the bottom up to 2°C·hPa(-1) towards the top of the pit. These temperature variations are accounted for by cave breathing, which is pressure induced motion of air amplified by the large volume of the quarry. This understanding is supported by a numerical model including advective heat transport, heat diffusion, and heat exchange with the pit walls. Mean lifetime in the pit is of the order of 9 to 13h, and barometric pumping results in an effective ventilation rate of the quarry of the order of 10(-7)s(-1). This study illustrates the important role of barometric pumping in heat and matter transport between atmosphere and lithosphere. The resulting stationary and transient states, revealed in this pit, are probably a general feature of functioning interface systems, and therefore are an important aspect to consider in problems of contaminant transport, or the preservation of precious heritage such as rare ecosystems or painted caves. PMID:26855357

  20. Truncated Painleve expansion: Tanh-traveling wave solutions and reduction of sine-Poisson equation to a quadrature for stationary and nonstationary three-dimensional collisionless cold plasma

    SciTech Connect

    Ibrahim, R. S.; El-Kalaawy, O. H.

    2006-10-15

    The relativistic nonlinear self-consistent equations for a collisionless cold plasma with stationary ions [R. S. Ibrahim, IMA J. Appl. Math. 68, 523 (2003)] are extended to 3 and 3+1 dimensions. The resulting system of equations is reduced to the sine-Poisson equation. The truncated Painleve expansion and reduction of the partial differential equation to a quadrature problem (RQ method) are described and applied to obtain the traveling wave solutions of the sine-Poisson equation for stationary and nonstationary equations in 3 and 3+1 dimensions describing the charge-density equilibrium configuration model.

  1. Exact Solution to Stationary Onset of Convection Due to Surface Tension Variation in a Multicomponent Fluid Layer With Interfacial Deformation

    NASA Technical Reports Server (NTRS)

    Skarda, J. Raymond Lee; McCaughan, Frances E.

    1998-01-01

    Stationary onset of convection due to surface tension variation in an unbounded multicomponent fluid layer is considered. Surface deformation is included and general flux boundary conditions are imposed on the stratifying agencies (temperature/composition) disturbance equations. Exact solutions are obtained to the general N-component problem for both finite and infinitesimal wavenumbers. Long wavelength instability may coexist with a finite wavelength instability for certain sets of parameter values, often referred to as frontier points. For an impermeable/insulated upper boundary and a permeable/conductive lower boundary, frontier boundaries are computed in the space of Bond number, Bo, versus Crispation number, Cr, over the range 5 x 10(exp -7) less than or equal to Bo less than or equal to 1. The loci of frontier points in (Bo, Cr) space for different values of N, diffusivity ratios, and, Marangoni numbers, collapsed to a single curve in (Bo, D(dimensional variable)Cr) space, where D(dimensional variable) is a Marangoni number weighted diffusivity ratio.

  2. New exact and approximate stationary solutions of (1+2)D nonlinear Schrödinger equation in dual-power media

    NASA Astrophysics Data System (ADS)

    Jasinski, Jerzy

    2015-05-01

    In the paper propagation of axially-symmetric (1+2)D beam in nonlinear medium with dual-power nonlinearity is analyzed. The ordinary differential equation for transverse stationary profile of the propagating field is derived and solved using a perturbation technique. The simple analytical formulas for the three lowest order solutions are obtained. They describe fields of algebraic profiles. The zero order solution satisfies exactly the nonlinear Schrödinger equation in (1+2)D case. Higher order solutions are determined by propagation constant and describe fields of different initial amplitude. The accuracy of approximation and stability of the obtained solutions are discussed.

  3. Stationary nonlinear Airy beams

    SciTech Connect

    Lotti, A.; Faccio, D.; Couairon, A.; Papazoglou, D. G.; Panagiotopoulos, P.; Tzortzakis, S.; Abdollahpour, D.

    2011-08-15

    We demonstrate the existence of an additional class of stationary accelerating Airy wave forms that exist in the presence of third-order (Kerr) nonlinearity and nonlinear losses. Numerical simulations and experiments, in agreement with the analytical model, highlight how these stationary solutions sustain the nonlinear evolution of Airy beams. The generic nature of the Airy solution allows extension of these results to other settings, and a variety of applications are suggested.

  4. The statistical mechanics basis of non-equilibrium stationary states in the solar wind and outer heliosphere

    NASA Astrophysics Data System (ADS)

    Livadiotis, G.; McComas, D. J.

    2009-12-01

    In situ observations of solar wind at 1 AU have occasionally detected ion distributions in equilibrium, where the three-dimensional spectral slope or k-index approaches infinity (a Maxwellian distribution) [e.g., Hammond, C. M., et al. (1996), J. Geophys. Res., 100, 7881-7889]. More commonly, however, suprathermal particle distributions in the solar wind routinely show highly non-equilibrium stationary states, with a k~1.5 [Fisk, L. A., and G. Gloeckler (2006), Astrophys. J., 640, L79-L82], while other observations from Voyager 1 detected k~1.63 in the inner heliosheath, beyond the termination shock [Decker, R. B., et al. (2005), Science, 309, 2020-2024]. While this value is close to 1.5, the observations demonstrated a clear statistical difference between these two indices. Finally, recent observations show distributions for which k~2.45 is a special value, separating indices that appear to be near or far from equilibrium [e.g., Dayeh, M. A., et al. (2009), Astrophys. J., 693, 1588-1600; Dialynas, K., et al. (2009), J. Geophys. Res., 114, A01212]. In this study we show how all of these special values of k~1.5, 1.63, 2.45, and infinity can be predicted by a special relationship of the entropy, defined in the framework of non-extensive Statistical Mechanics as applied to space physics [Livadiotis, G., and D. McComas (2009), in Press in JGR-Space Physics], which characterizes plasmas in stationary states out of equilibrium. Amazingly, the four values observed in the solar wind plasma and mentioned above are uniquely identified with the four special points in the derived entropy function. This correlation suggests that the observations are detecting the primacy of these stationary states.

  5. Influence of Copper Vapor on Low-Voltage Circuit Breaker Arcs During Stationary and Moving States

    NASA Astrophysics Data System (ADS)

    Ma, Qiang; Rong, Mingzhe; Wu, Yi; Xu, Tiejun; Sun, Zhiqiang

    2008-06-01

    The influence of copper vapor on the low-voltage circuit breaker arcs is studied. A three-dimensional (3-D) magnetohydrodynamics(MHD) model of arc motion under the effect of external magnetic field is built up. By adopting the commercial computational fluid dynamics (CFD) package FLUENT based on control-volume method, the above MHD model is solved. For the mediums of air-1% Cu and air-10% Cu, the distributions of stationary temperature, pressure, electrical potential and the arc motion processes are compared with those of a pure air arc. The copper vapor diffusion process in the arc chamber and the distribution of copper vapor mass concentration are also simulated. The results shows that the copper vapor has a cooling effect on the arc plasma and can decrease the stationary voltage as well. Moreover, the presence of copper vapor can decelerate the arc motion in the quenching chambers. The maximal copper vapor concentration locates behind the arc root because of the existence of a “double vortex" near the electrodes.

  6. Non-equilibrium relaxation between two quasi-stationary states in a stochastic lattice Lotka-Volterra model

    NASA Astrophysics Data System (ADS)

    Chen, Sheng; Täuber, Uwe C.

    2015-03-01

    Spatially extended stochastic models for predator-prey competition and coexistence display complex, correlated spatio-temporal structures and are governed by remarkably large fluctuations. Both populations are characterized by damped erratic oscillations whose properties are governed by the reaction rates. Here, we specifically study a stochastic lattice Lotka-Volterra model by means of Monte Carlo simulations that impose spatial restrictions on the number of occupants per site. The system tends to relax into a quasi-stationary state, independent of the imposed initial conditions. We investigate the non-equilibrium relaxation between two such quasi-stationary states, following an instantaneous change of the predation rate. The ensuing relaxation times are measured via the peak width of the population density Fourier transforms. As expected, we find that the initial state only influences the oscillations for the duration of this relaxation time, implying that the system quickly loses any memory of the initial configuration. Research supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award DE-FG02-09ER46613.

  7. Hydrogen Storage Materials for Mobile and Stationary Applications: Current State of the Art.

    PubMed

    Lai, Qiwen; Paskevicius, Mark; Sheppard, Drew A; Buckley, Craig E; Thornton, Aaron W; Hill, Matthew R; Gu, Qinfen; Mao, Jianfeng; Huang, Zhenguo; Liu, Hua Kun; Guo, Zaiping; Banerjee, Amitava; Chakraborty, Sudip; Ahuja, Rajeev; Aguey-Zinsou, Kondo-Francois

    2015-09-01

    One of the limitations to the widespread use of hydrogen as an energy carrier is its storage in a safe and compact form. Herein, recent developments in effective high-capacity hydrogen storage materials are reviewed, with a special emphasis on light compounds, including those based on organic porous structures, boron, nitrogen, and aluminum. These elements and their related compounds hold the promise of high, reversible, and practical hydrogen storage capacity for mobile applications, including vehicles and portable power equipment, but also for the large scale and distributed storage of energy for stationary applications. Current understanding of the fundamental principles that govern the interaction of hydrogen with these light compounds is summarized, as well as basic strategies to meet practical targets of hydrogen uptake and release. The limitation of these strategies and current understanding is also discussed and new directions proposed. PMID:26033917

  8. Stationary solutions for the nonlinear Schrödinger equation modeling three-dimensional spherical Bose-Einstein condensates in general potentials.

    PubMed

    Mallory, Kristina; Van Gorder, Robert A

    2015-07-01

    Stationary solutions for the cubic nonlinear Schrödinger equation modeling Bose-Einstein condensates (BECs) confined in three spatial dimensions by general forms of a potential are studied through a perturbation method and also numerically. Note that we study both repulsive and attractive BECs under similar frameworks in order to deduce the effects of the potentials in each case. After outlining the general framework, solutions for a collection of specific confining potentials of physical relevance to experiments on BECs are provided in order to demonstrate the approach. We make several observations regarding the influence of the particular potentials on the behavior of the BECs in these cases, comparing and contrasting the qualitative behavior of the attractive and repulsive BECs for potentials of various strengths and forms. Finally, we consider the nonperturbative where the potential or the amplitude of the solutions is large, obtaining various qualitative results. When the kinetic energy term is small (relative to the nonlinearity and the confining potential), we recover the expected Thomas-Fermi approximation for the stationary solutions. Naturally, this also occurs in the large mass limit. Through all of these results, we are able to understand the qualitative behavior of spherical three-dimensional BECs in weak, intermediate, or strong confining potentials. PMID:26274295

  9. Statistical Mechanics of the Human Placenta: A Stationary State of a Near-Equilibrium System in a Linear Regime.

    PubMed

    Lecarpentier, Yves; Claes, Victor; Hébert, Jean-Louis; Krokidis, Xénophon; Blanc, François-Xavier; Michel, Francine; Timbely, Oumar

    2015-01-01

    All near-equilibrium systems under linear regime evolve to stationary states in which there is constant entropy production rate. In an open chemical system that exchanges matter and energy with the exterior, we can identify both the energy and entropy flows associated with the exchange of matter and energy. This can be achieved by applying statistical mechanics (SM), which links the microscopic properties of a system to its bulk properties. In the case of contractile tissues such as human placenta, Huxley's equations offer a phenomenological formalism for applying SM. SM was investigated in human placental stem villi (PSV) (n = 40). PSV were stimulated by means of KCl exposure (n = 20) and tetanic electrical stimulation (n = 20). This made it possible to determine statistical entropy (S), internal energy (E), affinity (A), thermodynamic force (A / T) (T: temperature), thermodynamic flow (v) and entropy production rate (A / T x v). We found that PSV operated near equilibrium, i.e., A ≺≺ 2500 J/mol and in a stationary linear regime, i.e., (A / T) varied linearly with v. As v was dramatically low, entropy production rate which quantified irreversibility of chemical processes appeared to be the lowest ever observed in any contractile system. PMID:26569482

  10. Statistical Mechanics of the Human Placenta: A Stationary State of a Near-Equilibrium System in a Linear Regime

    PubMed Central

    Lecarpentier, Yves; Claes, Victor; Hébert, Jean-Louis; Krokidis, Xénophon; Blanc, François-Xavier; Michel, Francine; Timbely, Oumar

    2015-01-01

    All near-equilibrium systems under linear regime evolve to stationary states in which there is constant entropy production rate. In an open chemical system that exchanges matter and energy with the exterior, we can identify both the energy and entropy flows associated with the exchange of matter and energy. This can be achieved by applying statistical mechanics (SM), which links the microscopic properties of a system to its bulk properties. In the case of contractile tissues such as human placenta, Huxley’s equations offer a phenomenological formalism for applying SM. SM was investigated in human placental stem villi (PSV) (n = 40). PSV were stimulated by means of KCl exposure (n = 20) and tetanic electrical stimulation (n = 20). This made it possible to determine statistical entropy (S), internal energy (E), affinity (A), thermodynamic force (A / T) (T: temperature), thermodynamic flow (v) and entropy production rate (A / T x v). We found that PSV operated near equilibrium, i.e., A ≺≺ 2500 J/mol and in a stationary linear regime, i.e., (A / T) varied linearly with v. As v was dramatically low, entropy production rate which quantified irreversibility of chemical processes appeared to be the lowest ever observed in any contractile system. PMID:26569482

  11. The phase delay and its complex time: From stationary states up to wave packets

    SciTech Connect

    Grossel, Ph.

    2013-03-15

    Complex time is often invoked about tunneling effect where the classical phase delay is completed with a crucial filter effect. Usually the complex times are obtained by considering the flux-flux correlation function, but this can be obtained by a very simple approach using the search of the maximum of the generalized complex phase function, including the amplitude of the wave function. Various aspects of the phase delay are presented in the case of wave packets impinging on simple or resonant quantum barriers. Formal links with the classical mechanics give birth to quasi-trajectories of the quantum particle, totally compatible with the quantum mechanics. - Highlights: Black-Right-Pointing-Pointer The stationary phase method is extended in including the variations of the spectra. Black-Right-Pointing-Pointer The complex phase delay leads to a complex trajectory inside and out-side the barrier. Black-Right-Pointing-Pointer Examples of quasi-trajectories are given in case of different quantum barriers. Black-Right-Pointing-Pointer Phase delays are specified for resonant tunneling or above-barrier wave-packets. Black-Right-Pointing-Pointer The coherence between the quasi-trajectories and quantum mechanics is shown.

  12. Stationary solutions for the 1+1 nonlinear Schrödinger equation modeling repulsive Bose-Einstein condensates in small potentials

    NASA Astrophysics Data System (ADS)

    Mallory, Kristina; Van Gorder, Robert A.

    2013-07-01

    Stationary solutions for the 1+1 cubic nonlinear Schrödinger equation modeling repulsive Bose-Einstein condensates (BEC) in a small potential are obtained through a form of nonlinear perturbation. In particular, for sufficiently small potentials, we determine the perturbation theory of stationary solutions, by use of an expansion in Jacobi elliptic functions. This idea was explored before in order to obtain exact solutions [Bronski, Carr, Deconinck, and Kutz, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.86.1402 86, 1402 (2001)], where the potential itself was fixed to be a Jacobi elliptic function, thereby reducing the nonlinear ODE into an algebraic equation, (which could be easily solved). However, in the present paper, we outline the perturbation method for completely general potentials, assuming only that such potentials are locally small. We do not need to assume that the nonlinearity is small, as we perform a sort of nonlinear perturbation by allowing the zeroth-order perturbation term to be governed by a nonlinear equation. This allows us to consider even poorly behaved potentials, so long as they are bounded locally. We demonstrate the effectiveness of this approach by considering a number of specific potentials: for the simplest potentials, and we recover results from the literature, while for more complicated potentials, our results are new. Dark soliton solutions are constructed explicitly for some cases, and we obtain the known one-soliton tanh-type solution in the simplest setting for the repulsive BEC. Note that we limit our results to the repulsive case; similar results can be obtained for the attractive BEC case.

  13. Theory of stationary ultarshort pulses in solid-state laserswith passive mode locking

    SciTech Connect

    Komarov, K.P.

    1986-02-01

    The formation of steady-state pulses in solid-state lasers with passive mode locking is investigated under conditions when the refractive index is frequency dispersive and nonlinear. The case of a noninertial absorber is considered as well as that of an inertial one. It is shown that when the nonlinearity of the refractive index exceeds a certain critical level phase modulation of the pulse leads to instability of the steady-state regime. The possibility is discussed of forming extremely short pulses in wide-band amplifying media such as alexandrite.

  14. A closer look at the indications of q-generalized Central Limit Theorem behavior in quasi-stationary states of the HMF model

    NASA Astrophysics Data System (ADS)

    Pluchino, Alessandro; Rapisarda, Andrea; Tsallis, Constantino

    2008-05-01

    We give a closer look at the Central Limit Theorem (CLT) behavior in quasi-stationary states of the Hamiltonian Mean Field model, a paradigmatic one for long-range-interacting classical many-body systems. We present new calculations which show that, following their time evolution, we can observe and classify three kinds of long-standing quasi-stationary states (QSS) with different correlations. The frequency of occurrence of each class depends on the size of the system. The different microscopic nature of the QSS leads to different dynamical correlations and therefore to different results for the observed CLT behavior.

  15. On square-integrability of solutions of the stationary Schrödinger equation for the quantum harmonic oscillator in two dimensional constant curvature spaces

    SciTech Connect

    Noguera, Norman; Rózga, Krzysztof

    2015-07-15

    In this work, one provides a justification of the condition that is usually imposed on the parameters of the hypergeometric equation, related to the solutions of the stationary Schrödinger equation for the harmonic oscillator in two-dimensional constant curvature spaces, in order to determine the solutions which are square-integrable. One proves that in case of negative curvature, it is a necessary condition of square integrability and in case of positive curvature, a necessary condition of regularity. The proof is based on the analytic continuation formulas for the hypergeometric function. It is observed also that the same is true in case of a slightly more general potential than the one for harmonic oscillator.

  16. The features of a non-stationary state of stress in the elastic multisupport construction

    NASA Astrophysics Data System (ADS)

    Ashirbayev, Nurgali; Ashirbayeva, Zhansaya; Abzhapbarov, Azimkhan; Shomanbayeva, Manat

    2016-08-01

    The paper deals with the problem of propagation of unsteady elastic waves in an elastic multisupport construction, which is a rectangular strip. The mixed problem is formulated in terms of the stress and velocity and is numerically modeled using an explicit difference scheme through computation based on the method of spatial characteristics. The main objective of this study is to analyze the impact of the gap in the boundary conditions on the propagation of wave processes in the internal points of the studied elastic medium. The concentration of dynamic stresses was investigated in the vicinity of the gap of the boundary conditions. The results of the study were brought to the numerical solution.

  17. STATE-OF-THE-ART COMBUSTION MODIFICATION NOX CONTROL FOR STATIONARY COMBUSTION EQUIPMENT

    EPA Science Inventory

    The paper is a brief discussion and summary of state-of-the-art combustion modification NOx control technology for boilers and industrial process combustion equipment. These combustion modification techniques, when properly applied, offer the potential for cost-effective NOx cont...

  18. Effect of interference between two colored noises on the stationary states of a Brownian particle.

    PubMed

    Mondal, Shrabani; Bag, Bidhan Chandra

    2015-04-01

    In this paper we present properties of an external colored cross-correlated noise-driven Brownian system which is coupled to a thermal bath. Multiplicative cross-correlated noises can stabilize the transition state. Thus by monitoring the interference between the noises one can understand the mechanism of a chemical reaction. At the same time, we have investigated how the interference affects the barrier-crossing dynamics. In its presence breakdown of the Arrhenius result occurs. The breakdown becomes prominent if the multiplicative noises become additive in nature. We have also investigated how the power law behavior of the rate constant as a function of damping strength is affected by the properties of external colored noises. Furthermore, we have observed that multiplicative colored cross-correlated noises can induce the resonant activation phenomenon. PMID:25974476

  19. Effect of interference between two colored noises on the stationary states of a Brownian particle

    NASA Astrophysics Data System (ADS)

    Mondal, Shrabani; Bag, Bidhan Chandra

    2015-04-01

    In this paper we present properties of an external colored cross-correlated noise-driven Brownian system which is coupled to a thermal bath. Multiplicative cross-correlated noises can stabilize the transition state. Thus by monitoring the interference between the noises one can understand the mechanism of a chemical reaction. At the same time, we have investigated how the interference affects the barrier-crossing dynamics. In its presence breakdown of the Arrhenius result occurs. The breakdown becomes prominent if the multiplicative noises become additive in nature. We have also investigated how the power law behavior of the rate constant as a function of damping strength is affected by the properties of external colored noises. Furthermore, we have observed that multiplicative colored cross-correlated noises can induce the resonant activation phenomenon.

  20. Robotic Stream Flow and Solute Mass Balance Measurements Guided by a Non-Stationary Gaussian Process Model

    NASA Astrophysics Data System (ADS)

    Singh, A.; Fisher, J.; Pai, H.; Villamizar Amaya, S.; Harmon, T. C.; Kaiser, W.

    2007-12-01

    Spatially distributed hydraulic and water quality property characterization is important to understanding a broad range of river issues including confluence and discharge mixing phenomena, groundwater-surface water exchanges, and flow and temperature distributions in the context of habitat restoration efforts. Such characterization efforts often need to be completed rapidly to avoid complications associated with transient upstream conditions ( e.g., reservoir operational changes, time-variable irrigation drainage). In this work, we test a non-stationary Gaussian Process (GP) model for increasing sampling efficiency during a robotic deployment of velocity (ADV) and electrical conductivity (EC) sensors across a river transect. GP modeling is a common statistical approach for addressing spatially distributed phenomena. We first develop velocity and salinity observations within the mixing zone of the Merced-San Joaquin River confluence robotically in the form of high resolution (114 point) raster scans. We train the GP model by dividing the river cross-section into three sub- regions corresponding to Merced river side (east), mixing zone (center), and San Joaquin River side (west). An information criterion was selected that assigned each observation location a quantitative value in terms of the uncertainty about our prediction of the EC value given the measurement made at that location. We then executed a path-planning algorithm optimizing 16 locations out of the original 114. Using the observations from these 16 locations, and the trained GP model, we predicted the values at the rest of the 98 unobserved locations. EC distributions are compared for the raster- and GP-based data and suggest that the GP modeling strategy is viable for enhancing sampling efficiency in the context of spatially distributed river characteristics.

  1. Ion-exchange and hydrophobic interactions affecting selectivity for neutral and charged solutes on three structurally similar agglomerated ion-exchange and mixed-mode stationary phases.

    PubMed

    Kazarian, Artaches A; Taylor, Mark R; Haddad, Paul R; Nesterenko, Pavel N; Paull, Brett

    2013-11-25

    The nature and extent of mixed-mode retention mechanisms evident for three structurally related, agglomerated, particle-based stationary phases were evaluated. These three agglomerated phases were Thermo Fisher ScientificIon PacAS11-HC - strong anion exchange, Thermo Fisher Scientific IonPac CS10--strong cation-exchange PS-DVB, and the Thermo Fisher Scientific Acclaim Trinity P1silica-based substrate, which is commercially marketed as a mixed-mode stationary phase. All studied phases can exhibit zwitterionic and hydrophobic properties, which contribute to the retention of charged organic analytes. A systematic approach was devised to investigate the relative ion-exchange capacities and hydrophobicities for each of the three phases, together with the effect of eluent pH upon selectivity, using a specifically selected range of anionic, cationic and neutral aromatic compounds. Investigation of the strong anion-exchange column and the Trinity P1 mixed-mode substrate, in relation to ion-exchange capacity and pH effects, demonstrated similar retention behaviour for both the anionic and ampholytic solutes, as expected from the structurally related phases. Further evaluation revealed that the ion-exchange selectivity of the mixed-mode phase exhibited properties similar to that of the strong anion-exchange column, with secondary cation-exchange selectivity, albeit with medium to high anion-exchange and cation-exchange capacities, allowing selective retention for each of the anionic, cationic and ampholytic solutes. Observed mixed-mode retention upon the examined phases was found to be a sum of anion- and cation-exchange interactions, secondary ion-exchange and hydrophobic interactions, with possible additional hydrogen bonding. Hydrophobic evaluation of the three phases revealed logP values of 0.38-0.48, suggesting low to medium hydrophobicity. These stationary phases were also benchmarked against traditional reversed-phase substrates namely, octadecylsilica YMC-Pac Pro C18

  2. Effects of Electronic-State-Dependent Solute Polarizability: Application to Solute-Pump/Solvent-Probe Spectra.

    PubMed

    Sun, Xiang; Ladanyi, Branka M; Stratt, Richard M

    2015-07-23

    Experimental studies of solvation dynamics in liquids invariably ask how changing a solute from its electronic ground state to an electronically excited state affects a solution's dynamics. With traditional time-dependent-fluorescence experiments, that means looking for the dynamical consequences of the concomitant change in solute-solvent potential energy. But if one follows the shift in the dynamics through its effects on the macroscopic polarizability, as recent solute-pump/solvent-probe spectra do, there is another effect of the electronic excitation that should be considered: the jump in the solute's own polarizability. We examine the spectroscopic consequences of this solute polarizability change in the classic example of the solvation dye coumarin 153 dissolved in acetonitrile. After demonstrating that standard quantum chemical methods can be used to construct accurate multisite models for the polarizabilities of ground- and excited-state solvation dyes, we show via simulation that this polarizability change acts as a contrast agent, significantly enhancing the observable differences in optical-Kerr spectra between ground- and excited-state solutions. A comparison of our results with experimental solute-pump/solvent-probe spectra supports our interpretation and modeling of this spectroscopy. We predict, in particular, that solute-pump/solvent-probe spectra should be sensitive to changes in both the solvent dynamics near the solute and the electronic-state-dependence of the solute's own rotational dynamics. PMID:25299940

  3. Concepts for future solid state lighting solutions

    NASA Astrophysics Data System (ADS)

    von Malm, N.; Wirth, R.; Illek, S.; Steegmüller, U.

    2010-08-01

    In this contribution the relevant technological aspects of LED-based lamps for solid state lighting are discussed. In addition to general energy efficiency considerations improvements in LED chip technology and white light generation are presented.

  4. DG method for the numerical solution of the state problem in shape optimization

    NASA Astrophysics Data System (ADS)

    Hozman, J.; Šimůnková, M.

    2015-11-01

    In this article we are concerned with the discontinuous Galerkin (DG) method in connection with the numerical solution of the state problem in the field of shape optimization techniques. The presented state problem is described by the stationary energy equation of the system of the mould, glass piece, plunger and plunger cavity arising from the forming process in the glass industry. The attention is paid to the development of the numerical scheme based on the piecewise polynomial, generally discontinuous approximation, which enables to better resolve various phenomena typical for such a heterogeneous medium problem, compared with standard common numerical techniques. The studied problem is supplemented with the preliminary numerical results demonstrating the potency of the proposed scheme.

  5. Decay of stationary light pulses in ultracold atoms

    SciTech Connect

    Wu Jinhui; Artoni, M.; La Rocca, G. C.

    2010-03-15

    We develop a general scheme for studying the optical response of ultracold atoms driven into a regime of standing-wave electromagnetically induced transparency. We rely on full numerical solutions of the Maxwell-Liouville equations without invoking secular and adiabatic approximations and arbitrary initial state assumptions. These approximations and assumptions can conceal, e.g., significant loss and diffusion responsible for the decay of stationary light pulses in cold atomic samples. The complex decay dynamics of a stationary light pulse is here analyzed in terms of higher-order spin and optical coherences that arise from nonlinear interactions of the stationary light pulse with the two counterpropagating components of a standing-wave driving field. Specific results for stationary light pulses in cold {sup 87}Rb atoms have been discussed for temperature regimes where the residual Doppler broadening is negligible.

  6. A finite difference Davidson procedure to sidestep full ab initio hessian calculation: Application to characterization of stationary points and transition state searches

    SciTech Connect

    Sharada, Shaama Mallikarjun; Bell, Alexis T. E-mail: bell@cchem.berkeley.edu; Head-Gordon, Martin E-mail: bell@cchem.berkeley.edu

    2014-04-28

    The cost of calculating nuclear hessians, either analytically or by finite difference methods, during the course of quantum chemical analyses can be prohibitive for systems containing hundreds of atoms. In many applications, though, only a few eigenvalues and eigenvectors, and not the full hessian, are required. For instance, the lowest one or two eigenvalues of the full hessian are sufficient to characterize a stationary point as a minimum or a transition state (TS), respectively. We describe here a method that can eliminate the need for hessian calculations for both the characterization of stationary points as well as searches for saddle points. A finite differences implementation of the Davidson method that uses only first derivatives of the energy to calculate the lowest eigenvalues and eigenvectors of the hessian is discussed. This method can be implemented in conjunction with geometry optimization methods such as partitioned-rational function optimization (P-RFO) to characterize stationary points on the potential energy surface. With equal ease, it can be combined with interpolation methods that determine TS guess structures, such as the freezing string method, to generate approximate hessian matrices in lieu of full hessians as input to P-RFO for TS optimization. This approach is shown to achieve significant cost savings relative to exact hessian calculation when applied to both stationary point characterization as well as TS optimization. The basic reason is that the present approach scales one power of system size lower since the rate of convergence is approximately independent of the size of the system. Therefore, the finite-difference Davidson method is a viable alternative to full hessian calculation for stationary point characterization and TS search particularly when analytical hessians are not available or require substantial computational effort.

  7. Multiple solutions and numerical analysis to the dynamic and stationary models coupling a delayed energy balance model involving latent heat and discontinuous albedo with a deep ocean

    PubMed Central

    Díaz, J. I.; Hidalgo, A.; Tello, L.

    2014-01-01

    We study a climatologically important interaction of two of the main components of the geophysical system by adding an energy balance model for the averaged atmospheric temperature as dynamic boundary condition to a diagnostic ocean model having an additional spatial dimension. In this work, we give deeper insight than previous papers in the literature, mainly with respect to the 1990 pioneering model by Watts and Morantine. We are taking into consideration the latent heat for the two phase ocean as well as a possible delayed term. Non-uniqueness for the initial boundary value problem, uniqueness under a non-degeneracy condition and the existence of multiple stationary solutions are proved here. These multiplicity results suggest that an S-shaped bifurcation diagram should be expected to occur in this class of models generalizing previous energy balance models. The numerical method applied to the model is based on a finite volume scheme with nonlinear weighted essentially non-oscillatory reconstruction and Runge–Kutta total variation diminishing for time integration. PMID:25294969

  8. Multiple solutions and numerical analysis to the dynamic and stationary models coupling a delayed energy balance model involving latent heat and discontinuous albedo with a deep ocean.

    PubMed

    Díaz, J I; Hidalgo, A; Tello, L

    2014-10-01

    We study a climatologically important interaction of two of the main components of the geophysical system by adding an energy balance model for the averaged atmospheric temperature as dynamic boundary condition to a diagnostic ocean model having an additional spatial dimension. In this work, we give deeper insight than previous papers in the literature, mainly with respect to the 1990 pioneering model by Watts and Morantine. We are taking into consideration the latent heat for the two phase ocean as well as a possible delayed term. Non-uniqueness for the initial boundary value problem, uniqueness under a non-degeneracy condition and the existence of multiple stationary solutions are proved here. These multiplicity results suggest that an S-shaped bifurcation diagram should be expected to occur in this class of models generalizing previous energy balance models. The numerical method applied to the model is based on a finite volume scheme with nonlinear weighted essentially non-oscillatory reconstruction and Runge-Kutta total variation diminishing for time integration. PMID:25294969

  9. Nano-electrospray tandem mass spectrometric analysis of the acetylation state of histones H3 and H4 in stationary phase in Saccharomyces cerevisiae

    PubMed Central

    2011-01-01

    Background The involvement of histone acetylation in facilitating gene expression is well-established, particularly in the case of histones H3 and H4. It was previously shown in Saccharomyces cerevisiae that gene expression was significantly down-regulated and chromatin more condensed in stationary phase compared to exponential phase. We were therefore interested in establishing the acetylation state of histone H3 and H4 in stationary and in exponential phase, since the regulation of this modification could contribute to transcriptional shut-down and chromatin compaction during semi-quiescence. Results We made use of nano-spray tandem mass spectrometry to perform a precursor ion scan to detect an m/z 126 immonium ion, diagnostic of an Nε-acetylated lysine residue that allowed unambiguous identification of acetylated as opposed to tri-methylated lysine. The fragmentation spectra of peptides thus identified were searched with Mascot against the Swiss-Prot database, and the y-ion and b-ion fragmentation series subsequently analyzed for mass shifts compatible with acetylated lysine residues. We found that K9, K14 and K36 of histone H3 and K12 and K16 of histone H4 were acetylated in exponential phase (bulk histones), but could not detect these modifications in histones isolated from stationary phase cells at the sensitivity level of the mass spectrometer. The corresponding un-acetylated peptides were, however, observed. A significantly higher level of acetylation of these residues in exponential phase was confirmed by immuno-blotting. Conclusion H4K16 acetylation was previously shown to disrupt formation of condensed chromatin in vitro. We propose that de-acetylation of H4K16 allowed formation of condensed chromatin in stationary phase, and that acetylation of H3K9, H3K14, H3K36, and H4K12 reflected the active transcriptional state of the yeast genome in exponential phase. PMID:21726436

  10. Stationary Fuel Cell Evaluation (Presentation)

    SciTech Connect

    Kurtz, J.; Wipke, K.; Sprik, S.; Ramsden, T.; Ainscough, C.

    2012-05-01

    This powerpoint presentation discusses its objectives: real world operation data from the field and state-of-the-art lab; collection; analysis for independent technology validation; collaboration with industry and end users operating stationary fuel cell systems and reporting on technology status, progress and technical challenges. The approach and accomplishments are: A quarterly data analysis and publication of first technical stationary fuel cell composite data products (data through June 2012).

  11. Non-stationary and non-linear dispersive medium as external field which generates the squeezed states

    NASA Technical Reports Server (NTRS)

    Lobashov, A. A.; Mostepanenko, V. M.

    1993-01-01

    The theory of quantum effects in nonlinear dielectric media is developed. The nonlinear dielectric media is influenced by an external pumping field. The diagonalization of the Hamiltonian of a quantized field is obtained by the canonical Bogoliubov transformations. The transformations allow us to obtain the general expressions for the number of created photons and for the degree of squeezing. In the case of a plane pumping wave, for example, the results are calculated by using the zero order of the secular perturbation theory, with small parameters characterizing the medium nonlinearity. The Heisenberg equations of motion are obtained for non-stationary case and a commonly used Hamiltonian is derived from the first principles of quantum electrodynamics.

  12. l-State Solutions of Multiparameter Exponential-type Potentials

    NASA Astrophysics Data System (ADS)

    Peña, J. J.; García-Martínez, J.; García-Ravelo, J.; Morales, J.

    2014-03-01

    In the present work, bound state solutions for a class of multiparameter exponential-type potential are obtained in the frame of the Greene and Aldrich approximation for the centrifugal term. The proposal is general and their usefulness is exemplified with the treatment of the Eckart, Manning-Rosen, Hulthen and Deng Fan potentials that are obtained straightforwardly without resorting to specialized methods of solution for each specific potential, as usually is done. Furthermore, the proposal admits other approximations for the centrifugal term indicating an improvement to procedures developed with the same objective. So, our proposal can be considered as an unified treatment of the l-state solutions for exponential-type potentials and can be used to find new solvable potentials.

  13. Steady-state axisymmetric nonlinear magnetohydrodynamic solutions with various boundary conditions

    NASA Astrophysics Data System (ADS)

    Wang, Lile; Lou, Yu-Qing

    2014-04-01

    Axisymmetric magnetohydrodynamics (MHD) can be invoked for describing astrophysical magnetized flows and formulated to model stellar magnetospheres including main-sequence stars (e.g. the Sun), compact stellar objects [e.g. magnetic white dwarfs (MWDs), radio pulsars, anomalous X-ray pulsars, magnetars, isolated neutron stars, etc.] and planets as a major step forward towards a full three-dimensional model construction. Using powerful and reliable numerical solvers based on two distinct finite-difference method and finite-element method schemes of algorithm, we examine axisymmetric steady-state or stationary MHD models in Throumoulopoulos & Tasso, finding that their separable semi-analytic non-linear solutions are actually not unique given their specific selection of several free functionals and chosen boundary conditions. Similar situations of multiple non-linear solutions with the same boundary conditions actually also happen to force-free magnetic field models of Low & Lou. The multiplicity of non-linear steady MHD solutions gives rise to differences in the total energies contained in the magnetic fields and flow velocity fields as well as in the asymptotic behaviours approaching infinity, which may in turn explain why numerical solvers tend to converge to a non-linear solution with a lower energy than the corresponding separable semi-analytic one. By properly adjusting model parameters, we invoke semi-analytic and numerical solutions to describe different kinds of scenarios, including nearly parallel case and the situation in which the misalignment between the plasma flow and magnetic field is considerable. We propose that these MHD models are capable of describing the magnetospheres of MWDs as examples of applications with moderate conditions (including magnetic field) where the typical values of several important parameters are consistent with observations. Physical parameters can also be estimated based on such MHD models directly. We discuss the challenges

  14. Stationary rotating strings as relativistic particle mechanics

    SciTech Connect

    Ogawa, Kouji; Ishihara, Hideki; Saito, Shinya; Kozaki, Hiroshi; Nakano, Hiroyuki

    2008-07-15

    Stationary rotating strings can be viewed as geodesic motions in appropriate metrics in two-dimensional space. We obtain all solutions describing stationary rotating strings in flat spacetime as an application. These rotating strings have infinite length with various wiggly shapes. Averaged value of the string energy, the angular momentum, and the linear momentum along the string are discussed.

  15. Tau Aggregation Propensity Engrained in Its Solution State.

    PubMed

    Eschmann, Neil A; Do, Thanh D; LaPointe, Nichole E; Shea, Joan-Emma; Feinstein, Stuart C; Bowers, Michael T; Han, Songi

    2015-11-12

    A peptide fragment of the human tau protein which stacks to form neat cross β-sheet fibrils, resembling that found in pathological aggregation, (273)GKVQIINKKLDL(284) (here "R2/WT"), was modified with a spin-label at the N-terminus. With the resulting peptide, R2/G273C-SL, we probed events at time scales spanning seconds to hours after aggregation is initiated using transmission electron microscopy (TEM), thioflavin T (THT) fluorescence, ion mobility mass spectrometry (IMMS), electron paramagnetic resonance (EPR), and Overhauser dynamic nuclear polarization (ODNP) to determine if deliberate changes to its conformational states and population in solution influence downstream propensity to form fibrillar aggregates. We find varying solution conditions by adding the osmolyte urea or TMAO, or simply using different buffers (acetate buffer, phosphate buffer, or water), produces significant differences in early monomer/dimer populations and conformations. Crucially, these characteristics of the peptide in solution state before aggregation is initiated dictate the fibril formation propensity after aggregation. We conclude the driving forces that accelerate aggregation, when heparin is added, do not override the subtle intra- or interprotein interactions induced by the initial solvent conditions. In other words, the balance of protein-protein vs protein-solvent interactions present in the initial solution conditions is a critical driving force for fibril formation. PMID:26484390

  16. Solid-State and Solution Characterization of Myricetin.

    PubMed

    Franklin, Stephen J; Myrdal, Paul B

    2015-12-01

    Myricetin (MYR) is a natural compound that has been investigated as a chemopreventative agent. MYR has been shown to suppresses ultraviolet B (UVB)-induced cyclooxygenase-2 (COX-2) protein expression and reduce the incidence of UVB-induced skin tumors in mice. Despite MYR's promise as a therapeutic agent, minimal information is available to guide the progression of formulations designed for future drug development. Here, data is presented describing the solid-state and solution characterization of MYR. Investigation into the solid-state properties of MYR identified four different crystal forms, two hydrates (MYR I and MYR II) and two metastable forms (MYR IA and MYR IIA). From solubility studies, it was evident that all forms are very insoluble (<5 μg/ml) in pure water. MYR I was found to be the most stable form at 23, 35, and 56°C. Stability determination indicated that MYR undergoes rapid apparent first-order degradation under basic pH conditions, and that degradation was influenced by buffer species. Apparent first-order degradation was also seen when MYR was introduced to an oxidizing solution. Improved stability was achieved after introducing 0.1% antioxidants to the solution. MYR was found to have good stability following exposure to ultraviolet radiation (UVR), which is a consideration for topical applications. Finally, a partitioning study indicated that MYR possess a log P of 2.94 which, along with its solid-state properties, contributes to its poor aqueous solubility. Both the solid-state properties and solution stability of MYR are important to consider when developing future formulations. PMID:25986594

  17. QUIESCENT H-MODE, AN ELM-FREE HIGH-CONFINEMENT MODE ON DIII-D WITH POTENTIAL FOR STATIONARY STATE OPERATION

    SciTech Connect

    WEST,WP; BURRELL,KH; deGRASSIE,JS; DOYLE,EJ; GREENFIELD,CM; LASNIER,CJ; SNYDER,PB; ZENG,L

    2003-08-01

    OAK-B135 The quiescent H-mode (QH-mode) is an ELM-free and stationary state mode of operation discovered on DIII-D. This mode achieves H-mode levels of confinement and pedestal pressure while maintaining constant density and radiated power. The elimination of edge localized modes (ELMs) and their large divertor loads while maintaining good confinement and good density control is of interest to next generation tokamaks. This paper reports on the correlations found between selected parameters in a QH-mode database developed from several hundred DIII-D counter injected discharges. Time traces of key plasma parameters from a QH-mode discharge are shown. On DIII-D the negative going plasma current (a) indicates that the beam injection direction is counter to the plasma current direction, a common feature of all QH-modes. The D{sub {alpha}} time behavior (c) shows that soon after high powered beam heating (b) is applied, the discharge makes a transition to ELMing H-mode, then the ELMs disappear, indicating the start of the QH period that lasts for the remainder of the high power beam heating (3.5 s). Previously published work showing density and temperature profiles indicates that long-pulse, high-triangularity QH discharges develop an internal transport barrier in combination with the QH edge barrier. These discharges are known as quiescent, double-barrier discharges (QDB). The H-factor (d) and stored energy (c) rise then saturate at a constant level and the measured axial and minimum safety factors remain above 1.0 for the entire QH duration. During QDB operation the performance of the plasma can be very good, with {beta}{sub N}*H{sub 89L} product reaching 7 for > 10 energy confinement times. These discharges show promise that a stationary state can be achieved.

  18. Collective excitation frequencies and stationary states of trapped dipolar Bose-Einstein condensates in the Thomas-Fermi regime

    SciTech Connect

    Bijnen, R. M. W. van; Parker, N. G.; Kokkelmans, S. J. J. M. F.; Martin, A. M.; O'Dell, D. H. J.

    2010-09-15

    We present a general method for obtaining the exact static solutions and collective excitation frequencies of a trapped Bose-Einstein condensate (BEC) with dipolar atomic interactions in the Thomas-Fermi regime. The method incorporates analytic expressions for the dipolar potential of an arbitrary polynomial density profile, thereby reducing the problem of handling nonlocal dipolar interactions to the solution of algebraic equations. We comprehensively map out the static solutions and excitation modes, including non-cylindrically-symmetric traps, and also the case of negative scattering length where dipolar interactions stabilize an otherwise unstable condensate. The dynamical stability of the excitation modes gives insight into the onset of collapse of a dipolar BEC. We find that global collapse is consistently mediated by an anisotropic quadrupolar collective mode, although there are two trapping regimes in which the BEC is stable against quadrupole fluctuations even as the ratio of the dipolar to s-wave interactions becomes infinite. Motivated by the possibility of a fragmented condensate in a dipolar Bose gas due to the partially attractive interactions, we pay special attention to the scissors modes, which can provide a signature of superfluidity, and identify a long-range restoring force which is peculiar to dipolar systems. As part of the supporting material for this paper we provide the computer program used to make the calculations, including a graphical user interface.

  19. Anharmonic densities of states: A general dynamics-based solution.

    PubMed

    Jellinek, Julius; Aleinikava, Darya

    2016-06-01

    Density of states is a fundamental physical characteristic that lies at the foundation of statistical mechanics and theoretical constructs that derive from them (e.g., kinetic rate theories, phase diagrams, and others). Even though most real physical systems are anharmonic, the vibrational density of states is customarily treated within the harmonic approximation, or with some partial, often limited, account for anharmonicity. The reason for this is that the problem of anharmonic densities of states stubbornly resisted a general and exact, yet convenient and straightforward in applications, solution. Here we formulate such a solution within both classical and quantum mechanics. It is based on actual dynamical behavior of systems as a function of energy and as observed, or monitored, on a chosen time scale, short or long. As a consequence, the resulting anharmonic densities of states are fully dynamically informed and, in general, time-dependent. As such, they lay the ground for formulation of new statistical mechanical frameworks that incorporate time and are ergodic, by construction, with respect to actual dynamical behavior of systems. PMID:27276941

  20. Anharmonic densities of states: A general dynamics-based solution

    NASA Astrophysics Data System (ADS)

    Jellinek, Julius; Aleinikava, Darya

    2016-06-01

    Density of states is a fundamental physical characteristic that lies at the foundation of statistical mechanics and theoretical constructs that derive from them (e.g., kinetic rate theories, phase diagrams, and others). Even though most real physical systems are anharmonic, the vibrational density of states is customarily treated within the harmonic approximation, or with some partial, often limited, account for anharmonicity. The reason for this is that the problem of anharmonic densities of states stubbornly resisted a general and exact, yet convenient and straightforward in applications, solution. Here we formulate such a solution within both classical and quantum mechanics. It is based on actual dynamical behavior of systems as a function of energy and as observed, or monitored, on a chosen time scale, short or long. As a consequence, the resulting anharmonic densities of states are fully dynamically informed and, in general, time-dependent. As such, they lay the ground for formulation of new statistical mechanical frameworks that incorporate time and are ergodic, by construction, with respect to actual dynamical behavior of systems.

  1. Effect of solution saturation state and temperature on diopside dissolution

    SciTech Connect

    Dixit, S; Carroll, S A

    2007-03-23

    Steady-state dissolution rates of diopside are measured as a function of solution saturation state using a titanium flow-through reactor at pH 7.5 and temperature ranging from 125 to 175 C. Diopside dissolved stoichiometrically under all experimental conditions and rates were not dependent on sample history. At each temperature, rates continuously decreased by two orders of magnitude as equilibrium was approached and did not exhibit a dissolution plateau of constant rates at high degrees of undersaturation. The variation of diopside dissolution rates with solution saturation can be described equally well with a ion exchange model based on transition state theory or pit nucleation model based on crystal growth/dissolution theory from 125 to 175 C. At 175 C, both models over predict dissolution rates by two orders of magnitude indicating that a secondary phase precipitated in the experiments. The ion exchange model assumes the formation of a Si-rich, Mg-deficient precursor complex. Lack of dependence of rates on steady-state aqueous calcium concentration supports the formation of such a complex, which is formed by exchange of protons for magnesium ions at the surface.

  2. Use of complex configuration interaction calculations and the stationary principle for the description of metastable electronic states of HCl-

    NASA Astrophysics Data System (ADS)

    Honigmann, Michael; Liebermann, Heinz-Peter; Buenker, Robert J.

    2010-07-01

    The complex multireference single- and double-excitation configuration interaction method has been employed to compute potential curves for the anion of the hydrogen chloride molecule. First, conventional CI calculations with real basis functions have been carried out to determine the potential curves of both HCl and its anion over a large range of internuclear distance. It is shown that adding basis functions with very small exponents leads to sharply avoided crossings for the HCl- potentials that greatly complicate the search for resonance states thought to be responsible for features observed in electron collision experiments. By limiting the number of such diffuse-type functions it is possible to describe resonance states at a highly correlated level and still account for their interaction with the continuum in which they are embedded. In the present study of the HCl- anion the complex basis function technique of Moiseyev-Corcoran and McCurdy-Resigno is employed to calculate the energy positions and line-widths of the resonance states. Two states of Σ2+ symmetry are calculated which have potentials that have significantly different shapes than that of the neutral ground state and thus contribute to the cross section for vibrational excitation of the neutral HCl molecule induced by low-energy electron collisions. The lower of these (1 Σ2+) correlates smoothly with the bound anionic ground state at large internuclear distances and is seen to be responsible for the sharp peaks observed in the low-energy region of the spectrum. The upper state (3 Σ2+) has a much larger bond length and is assigned to the broad bands observed with a maximum in the 2.5-3.0 eV range. The present calculations thus stand in contradiction to earlier claims that the above peaks are caused by so-called virtual states without a definite autoionization lifetime.

  3. Gravastar solutions with continuous pressures and equation of state

    NASA Astrophysics Data System (ADS)

    DeBenedictis, A.; Horvat, D.; Ilijić, S.; Kloster, S.; Viswanathan, K. S.

    2006-04-01

    We study the gravitational vacuum star (gravastar) configuration as proposed by Cattoen et al (2005 Class. Quantum Grav. 22 4189) in a model where the interior de Sitter spacetime segment is continuously extended to the exterior Schwarzschild spacetime. The multilayered structure of Mazur and Mottola (2001 Preprint gr-qc/0109035, 2003 Proc. 6th Workshop on Quantum Field Theory Under the Influence of External Conditions (Oklahoma) (Princeton, NJ: Rinton), Preprint gr-qc/0405111 (2004 Proc. Natl Acad. Sci. 111 9545) is replaced by a continuous stress-energy tensor at the price of introducing anisotropy in the (fluid) model of the gravastar. Either with an ansatz for the equation of state connecting the radial pr and tangential pt pressure or with a calculated equation of state with non-homogeneous energy/fluid density, solutions are obtained which in all aspects satisfy the conditions expected for an anisotropic gravastar (Cattoen et al 2005 Class. Quantum Grav. 22 4189). Certain energy conditions have been shown to be obeyed and a polytropic equation of state has been derived. Stability of the solution with respect to possible axial perturbation is shown to hold.

  4. Flash photolysis and triplet states and free radicals in solution.

    PubMed

    Windsor, Maurice W

    2003-05-01

    A personal account is given of the development of microsecond flash photolysis in George Porter's laboratory at Cambridge in the early 1950s. This made possible, for the first time, the observation of the absorption spectra of the lowest triplet states of many polycyclic aromatic hydrocarbons in fluid solutions. The T-T transitions were found to be very intense with oscillator strengths approaching unity in many cases. Detailed kinetic studies showed that triplet state decay was first order and viscosity dependent and strongly quenched by dissolved oxygen. Several aromatic free radicals such as benzyl were also observed in liquid solution for the first time. The advent of the laser in the early 1960s made it possible to extend flash photolysis studies to the ns and ps and eventually the fs time range. Such studies have revolutionized the study of excited states and free radicals and have made possible advances in the understanding of the dynamics of chemical and biological systems that would have been unimaginable 60 years ago. PMID:12803067

  5. Steady-State Solution of a Flexible Wing

    NASA Technical Reports Server (NTRS)

    Karkehabadi, Reza; Chandra, Suresh; Krishnamurthy, Ramesh

    1997-01-01

    A fluid-structure interaction code, ENSAERO, has been used to compute the aerodynamic loads on a swept-tapered wing. The code has the capability of using Euler or Navier-Stokes equations. Both options have been used and compared in the present paper. In the calculation of the steady-state solution, we are interested in knowing how the flexibility of the wing influences the lift coefficients. If the results of a flexible wing are not affected by the flexibility of the wing significantly, one could consider the wing to be rigid and reduce the problem from fluid-structure interaction to a fluid problem.

  6. Ground state solutions for non-autonomous fractional Choquard equations

    NASA Astrophysics Data System (ADS)

    Chen, Yan-Hong; Liu, Chungen

    2016-06-01

    We consider the following nonlinear fractional Choquard equation, {(‑Δ)su+u=(1+a(x))(Iα ∗ (|u| p))|u| p‑2uin RN,u(x)→0as |x|→∞, here s\\in (0,1) , α \\in (0,N) , p\\in ≤ft[2,∞ \\right) and \\frac{N-2s}{N+α}<\\frac{1}{p}<\\frac{N}{N+α} . Assume {{\\lim}|x|\\to ∞}a(x)=0 and satisfying suitable assumptions but not requiring any symmetry property on a(x), we prove the existence of ground state solutions for (0.1).

  7. 76 FR 2904 - Agency Information Collection Activities; Proposed Collection; Comment Request; Air Stationary...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-01-18

    ... Information Collection Activities; Proposed Collection; Comment Request; Air Stationary Source Compliance and...: (202) 501-0411. Mail: Air Stationary Source Compliance and Enforcement Information, Environmental... this action are State, District, ] Local, and Commonwealth governments. Title: Air Stationary...

  8. Complex formation between excited-state saturated amines and water in n-hexane solution

    SciTech Connect

    Halpern, A.M.; Ruggles, C.J.; Zhang, X.K.

    1987-06-10

    Fluorescence spectra and decay curves of dilute solutions (<3 x 10/sup -4/ M) of triethylamine (TEA), tri-n-propylamine (TPA), and 1,4-diazabicyclo(2.2.2)octane (DABCO) in H/sub 2/O- and D/sub 2/O-saturated n-hexane reveal the presence of a complex formed between the electronically excited amine and water. The decay curves, measured between 273 and 323 K (and at 280 and 360 nm; 300 and 400 nm for DABCO), conform to the standard monomer-excimer photokinetic scheme and are analyzed accordingly. These results indicate that the binding energy of the excited TEA-H/sub 2/O complex (B*) is ca. 7.8 kcal/mol, which is larger than that of the ground-state TEA hydrate. B* for the TPA and DABCO-H/sub 2/O complexes is estimated to be ca. 10 and 8.8 kcal/mol, respectively. Stationary-state measurements are consistent with these assignments. The activation energy for the diffusion of water in n-hexane (assumed to be monomeric) appears to be very small (<1 kcal/mol). The decay constants of the three complexes studied are ca. 3.4 x 10/sup 7/ s/sup -1/ for amine-H/sub 2/O and 2.9 x 10/sup 7/ s/sup -1/ for the amine-D/sub 2/O systems. Intrinsic fluorescence quantum efficiencies of the amine-H/sub 2/O complexes are 0.17, 0.23, and 0.28 for TEA, TPA, and DABCO, respectively, at 303 K. A Foerster cycle analysis of the dry and H/sub 2/O-saturated fluorescence spectra of TEA, when taking the ground-state hydrate into account indicates that the repulsion energy of the post-fluorescence (TEA-H/sub 2/O) complex is ca. 10 kcal/mol.

  9. Multiphoton Absorption of Myoglobin Nitric-Oxide complex: Relaxation by D-NEMD of a Stationary State

    PubMed Central

    Cottone, Grazia; Lattanzi, Gianluca; Ciccotti, Giovanni; Elber, Ron

    2012-01-01

    The photodissociation and geminate recombination of nitric oxide in myoglobin, under continuous illumination, is modeled computationally. The relaxation of the photon energy into the protein matrix is also considered in a single simulation scheme that mimics a complete experimental setup. The dynamic approach to Non Equilibrium Molecular Dynamics is used, starting from a steady state, to compute its relaxation to equilibrium. Simulations are conducted for the native form of sperm whale myoglobin and for two other mutants, V68W and L29F, illustrating a fair diversity of spatial and temporal geminate recombination processes. Energy flow to the heme and immediate protein environment provide hints to allostery. In particular a pathway of energy flow between the heme and the FG loop is illustrated. Although the simulations were conducted for myoglobin only, the thermal fluctuations of the FG corner are in agreement with the large structural shifts of FG during the allosteric transition of tetrameric hemoglobin. PMID:22356468

  10. Ab initio calculations of stationary points on the benzene-Ar and p-difluorobenzene-Ar potential energy surfaces: barriers to bound orbiting states

    NASA Astrophysics Data System (ADS)

    Moulds, Rebecca J.; Buntine, Mark A.; Lawrance, Warren D.

    2004-09-01

    The potential energy surfaces of the van der Waals complexes benzene-Ar and p-difluorobenzene-Ar have been investigated at the second-order Møller-Plesset (MP2) level of theory with the aug-cc-pVDZ basis set. Calculations were performed with unconstrained geometry optimization for all stationary points. This study has been performed to elucidate the nature of a conflict between experimental results from dispersed fluorescence and velocity map imaging (VMI). The inconsistency is that spectra for levels of p-difluorobenzene-Ar and -Kr below the dissociation thresholds determined by VMI show bands where free p-difluorobenzene emits, suggesting that dissociation is occurring. We proposed that the bands observed in the dispersed fluorescence spectra are due to emission from states in which the rare gas atom orbits the aromatic chromophore; these states are populated by intramolecular vibrational redistribution from the initially excited level [S. M. Bellm, R. J. Moulds, and W. D. Lawrance, J. Chem. Phys. 115, 10709 (2001)]. To test this proposition, stationary points have been located on both the benzene-Ar and p-difluorobenzene-Ar potential energy surfaces (PESs) to determine the barriers to this orbiting motion. Comparison with previous single point CCSD(T) calculations of the benzene-Ar PES has been used to determine the amount by which the barriers are overestimated at the MP2 level. As there is little difference in the comparable regions of the benzene-Ar and p-difluorobenzene-Ar PESs, the overestimation is expected to be similar for p-difluorobenzene-Ar. Allowing for this overestimation gives the barrier to movement of the Ar atom around the pDFB ring via the valley between the H atoms as ⩽204 cm-1 in S0 (including zero point energy). From the estimated change upon electronic excitation, the corresponding barrier in S1 is estimated to be ⩽225 cm-1. This barrier is less than the 240 cm-1 energy of 302¯, the vibrational level for which the anomalous "free p

  11. Probing protein hydration and conformational states in solution.

    PubMed Central

    Reid, C; Rand, R P

    1997-01-01

    The addition of polyethylene glycol (PEG), of various molecular weights, to solutions bathing yeast hexokinase increases the affinity of the enzyme for its substrate glucose. The results can be interpreted on the basis that PEG acts directly on the protein or indirectly through water activity. The nature of the effects suggests to us that PEG's action is indirect. Interpretation of the results as an osmotic effect yields a decrease in the number of water molecules, delta Nw, associated with the glucose binding reaction. delta Nw is the difference in the number of PEG-inaccessible water molecules between the glucose-bound and glucose-free conformations of hexokinase. At low PEG concentrations, delta Nw increases from 50 to 326 with increasing MW of the PEG from 300 to 1000, and then remains constant for MW-PEG up to 10,000. This suggests that up to MW 1000, solutes of increasing size are excluded from ever larger aqueous compartments around the protein. Three hundred and twenty-six waters is larger than is estimated from modeling solvent volumes around the crystal structures of the two hexokinase conformations. For PEGs of MW > 1000, delta Nw falls from 326 to about 25 waters with increasing PEG concentration, i.e., PEG alone appears to "dehydrate" the unbound conformation of hexokinase in solution. Remarkably, the osmotic work of this dehydration would be on the order of only one k T per hexokinase molecule. We conclude that under thermal fluctuations, hexokinase in solution has a conformational flexibility that explores a wide range of hydration states not seen in the crystal structure. Images FIGURE 1 FIGURE 11 PMID:9138553

  12. Nuclear magnetic resonance characterization of the stationary dynamics of partially saturated media during steady-state infiltration flow

    NASA Astrophysics Data System (ADS)

    Rassi, Erik M.; Codd, Sarah L.; Seymour, Joseph D.

    2011-01-01

    Flow in porous media and the resultant hydrodynamics are important in fields including but not limited to the hydrology, chemical, medical and petroleum industries. The observation and understanding of the hydrodynamics in porous media are critical to the design and optimal utilization of porous media, such as those seen in trickle-bed reactors, medical filters, subsurface flows and carbon sequestration. Magnetic resonance (MR) provides for a non-invasive technique that can probe the hydrodynamics on pore and bulk scale lengths; many previous works have characterized fully saturated porous media, while rapid MR imaging (MRI) methods in particular have previously been applied to partially saturated flows. We present time- and ensemble-averaged MR measurements to observe the effects on a bead pack partially saturated with air under flowing water conditions. The 10 mm internal diameter bead pack was filled with 100 μm borosilicate glass beads. Air was injected into the bead pack as water flowed simultaneously through the sample at 25 ml h-1. The initial partially saturated state was characterized with MRI density maps, free induction decay (FID) experiments, propagators and velocity maps before the water flow rate was increased incrementally from 25 to 500 ml h-1. After the maximum flow rate of 500 ml h-1, the MRI density maps, FID experiments, propagators and velocity maps were repeated and compared to the data taken before the maximum flow rate. This work shows that a partially saturated single-phase flow has global flow dynamics that return to characteristic flow statistics once a steady-state high flow rate has been reached. This high flow rate pushed out a significant amount of the air in the bead pack and caused the return of a preferential flow pattern. Velocity maps indicated that local flow statistics were not the same for the before and after blow out conditions. It has been suggested and shown previously that a flow pattern can return to

  13. TOPICAL REVIEW Electronic states of graphene nanoribbons and analytical solutions

    NASA Astrophysics Data System (ADS)

    Wakabayashi, Katsunori; Sasaki, Ken-ichi; Nakanishi, Takeshi; Enoki, Toshiaki

    2010-10-01

    Graphene is a one-atom-thick layer of graphite, where low-energy electronic states are described by the massless Dirac fermion. The orientation of the graphene edge determines the energy spectrum of π-electrons. For example, zigzag edges possess localized edge states with energies close to the Fermi level. In this review, we investigate nanoscale effects on the physical properties of graphene nanoribbons and clarify the role of edge boundaries. We also provide analytical solutions for electronic dispersion and the corresponding wavefunction in graphene nanoribbons with their detailed derivation using wave mechanics based on the tight-binding model. The energy band structures of armchair nanoribbons can be obtained by making the transverse wavenumber discrete, in accordance with the edge boundary condition, as in the case of carbon nanotubes. However, zigzag nanoribbons are not analogous to carbon nanotubes, because in zigzag nanoribbons the transverse wavenumber depends not only on the ribbon width but also on the longitudinal wavenumber. The quantization rule of electronic conductance as well as the magnetic instability of edge states due to the electron-electron interaction are briefly discussed.

  14. Steady state solutions to dynamically loaded periodic structures

    NASA Technical Reports Server (NTRS)

    Kalinowski, A. J.

    1980-01-01

    The general problem of solving for the steady state (time domain) dynamic response (i.e., NASTRAN rigid format-8) of a general elastic periodic structure subject to a phase difference loading of the type encountered in traveling wave propagation problems was studied. Two types of structural configurations were considered; in the first type, the structure has a repeating pattern over a span that is long enough to be considered, for all practical purposes, as infinite; in the second type, the structure has structural rotational symmetry in the circumferential direction. The theory and a corresponding set of DMAP instructions which permits the NASTRAN user to automatically alter the rigid format-8 sequence to solve the intended class of problems are presented. Final results are recovered as with any ordinary rigid format-8 solution, except that the results are only printed for the typical periodic segment of the structure. A simple demonstration problem having a known exact solution is used to illustrate the implementation of the procedure.

  15. NEXAFS Chemical State and Bond Lengths of p-Aminobenzoic Acid in Solution and Solid State

    NASA Astrophysics Data System (ADS)

    Stevens, J. S.; Gainar, A.; Suljoti, E.; Xiao, J.; Golnak, R.; Aziz, E. F.; Schroeder, S. L. M.

    2016-05-01

    Solid-state and solution pH-dependent NEXAFS studies allow direct observation of the electronic state of para-aminobenzoic acid (PABA) as a function of its chemical environment, revealing the chemical state and bonding of the chemical species. Variations in the ionization potential (IP) and 1s→π* resonances unequivocally identify the chemical species (neutral, cationic, or anionic) present and the varying local environment. Shifts in σ* shape resonances relative to the IP in the NEXAFS spectra vary with C-N bond length, and the important effect of minor alterations in bond length is confirmed with nitrogen FEFF calculations, leading to the possibility of bond length determination in solution.

  16. Extraction of stationary components in biosignal discrimination.

    PubMed

    Martinez-Vargas, J D; Cardenas-Pena, D; Castellanos-Dominguez, G

    2012-01-01

    Biosignal recordings are widely used in the medical environment to support the evaluation and the diagnosis of pathologies. Nevertheless, the main difficulty lies in the non-stationary behavior of the biosignals, difficulting the obtention of patterns characterizing the changes in physiological or pathological states. Thus, the obtention of the stationary and non-stationary components of a biosignal is still an open issue. This work proposes a methodology to detect time-homogeneities based on time-frequency analysis with aim to extract the non-stationary behavior of the biosignal. Results show an increase in the stationarity and in the distance between classes of the reconstructions from the enhanced time-frequency representations. The stationary components extracted with the proposed approach can be used to solve biosignal classification problems. PMID:23365817

  17. Capillary-Channeled Polymer (C-CP) Fibers as a Stationary Phase for Sample Clean-Up of Protein Solutions for Matrix-Assisted Laser/Desorption Ionization Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Manard, Benjamin T.; Marcus, R. Kenneth

    2012-08-01

    Capillary-channeled polymer (C-CP) fibers are employed in a micropipette tip format to affect a stationary phase for the solid phase extraction (SPE) of proteins from buffer solutions prior to MALDI-MS analysis. Proteins readily adsorb to the polypropylene (PP) C-CP fibers while buffer species are easily washed off the tips using DI-H2O. Elution of the solutes is achieved with an aliquot of 50:50 ACN:H2O, which is compatible with the subsequent spotting on the MALDI target with the matrix solution. Lysozyme and cytochrome c are used as test species, with a primary buffer composition of 100 mM Tris-HCl. In this case, direct MALDI-MS produces no discernible protein signals. SPE on the C-CP fibers yields high fidelity mass spectra for 1 μL sample volumes. Limits of detection for cytochrome c in 100 mM Tris-HCl are on the order of 40 nM. Extraction of cytochrome c from buffer concentrations of up to 1 M Tris-HCl, provides signal recoveries that are suppressed by only ~50 % versus neat protein solutions. Finally, extraction of 3.1 μM cytochrome c from a synthetic urine matrix exhibits excellent recovery.

  18. States leverage telepsychiatry solutions to ease ED crowding, accelerate care.

    PubMed

    2015-02-01

    Many states are having success turning to telepsychiatry-based solutions to connect mental health patients with needed care while also decompressing crowded EDs. Just one year into a statewide telepsychiatry initiative in North Carolina (NC-STeP), administrators say the approach has saved as much as $7 million, and hospital demand for the service is higher than anticipated. In Texas, mental health emergency centers (MHEC) that use telepsychiatry to connect patients in rural areas with needed psychiatric care are freeing up EDs to focus on medical care. In just 11 months, 91 North Carolina hospitals have at least started the process to engage in NC-STeP. Much of the savings from NC-STeP come from involuntary commitment orders being overturned as a result of the telepsychiatry consults, reducing the need for expensive inpatient care. Implementing NC-STeP has involved multiple hurdles including credentialing difficulties and technical/firewall challenges. The Texas model provides 24/7 availability of psychiatrists via telemedicine through a network of MHECs. In-person staff at the MHECs perform basic screening tests and blood draws so that medical clearance can be achieved without the need for an ED visit in most cases. Funding for the MHECs comes from the state, hospitals in the region, and local governmental authorities that reap savings or benefits from the initiative. PMID:25688413

  19. Extended law of corresponding states for protein solutions.

    PubMed

    Platten, Florian; Valadez-Pérez, Néstor E; Castañeda-Priego, Ramón; Egelhaaf, Stefan U

    2015-05-01

    The so-called extended law of corresponding states, as proposed by Noro and Frenkel [J. Chem. Phys. 113, 2941 (2000)], involves a mapping of the phase behaviors of systems with short-range attractive interactions. While it has already extensively been applied to various model potentials, here we test its applicability to protein solutions with their complex interactions. We successfully map their experimentally determined metastable gas-liquid binodals, as available in the literature, to the binodals of short-range square-well fluids, as determined by previous as well as new Monte Carlo simulations. This is achieved by representing the binodals as a function of the temperature scaled with the critical temperature (or as a function of the reduced second virial coefficient) and the concentration scaled by the cube of an effective particle diameter, where the scalings take into account the attractive and repulsive contributions to the interaction potential, respectively. The scaled binodals of the protein solutions coincide with simulation data of the adhesive hard-sphere fluid. Furthermore, once the repulsive contributions are taken into account by the effective particle diameter, the temperature dependence of the reduced second virial coefficients follows a master curve that corresponds to a linear temperature dependence of the depth of the square-well potential. We moreover demonstrate that, based on this approach and cloud-point measurements only, second virial coefficients can be estimated, which we show to agree with values determined by light scattering or by Derjaguin-Landau-Verwey-Overbeek (DLVO)-based calculations. PMID:25956118

  20. Solid state lighting for the developing world: the only solution

    NASA Astrophysics Data System (ADS)

    Peon, Rudolfo; Doluweera, Ganesh; Platonova, Inna; Irvine-Halliday, Dave; Irvine-Halliday, Gregor

    2005-09-01

    Approximately two billion people, one third of humanity still has no access to electricity, and thus relies on fuel-based lighting, a dangerous alternative of last resort that is unhealthy, expensive, and offers very poor levels of illumination. This lack of light makes it difficult to perform most evening activities including studies by children and adults alike and therefore represents a significant barrier to human development. Over the past five years The Light Up The World Foundation (LUTW) has pioneered the use of the white light emitting diode (WLED) as an alternative home lighting solution, bringing clean, affordable light to thousands of non-electrified homes around the world. The information presented herein is intended to increase awareness of the enormous potential possessed by this emergent technology, "Solid State Lighting" (SSL), to improve the quality of life of millions of people around the world. The feasibility of its implementation is demonstrated with results from comprehensive field experience and laboratory research work. The mutual economic, social and environmental benefits for both stakeholders and SSL suppliers are discussed. Strategies conducive to the dissemination of this technology throughout the developing world are also presented.

  1. Nuclear magnetic resonance in water solutions of inorganic salts in vitreous and liquid states

    SciTech Connect

    Lundin, A. G. Koryavko, N. A.; Chichikov, S. A.

    2013-05-15

    Peculiarities of the behavior of water solutions of inorganic salts at temperatures of {approx}(120-150) K are examined. At these temperatures the solutions are in the vitreous state. At higher temperatures (up to 240 K) the solutions may be in metastable liquid, crystalline, or usual liquid states.

  2. Asymptotic Steady-state Solution to a Bow Shock with an Infinite Mach Number

    NASA Astrophysics Data System (ADS)

    Yalinewich, Almog; Sari, Re’em

    2016-08-01

    The problem of a cold gas flowing past a stationary obstacle is considered. We study the bow shock that forms around the obstacle and show that at large distances from the obstacle the shock front forms a parabolic solid of revolution. The profiles of the hydrodynamic variables in the interior of the shock are obtained by solution of the hydrodynamic equations in parabolic coordinates. The results are verified with a hydrodynamic simulation. The drag force on the obstacle is also calculated. Finally, we use these results to model the bow shock around an isolated neutron star.

  3. Complete solution for unambiguous discrimination of three pure states with real inner products

    SciTech Connect

    Sugimoto, H.; Hashimoto, T.; Horibe, M.; Hayashi, A.

    2010-09-15

    Complete solutions are given in a closed analytic form for unambiguous discrimination of three general pure states with real mutual inner products. For this purpose, we first establish some general results on unambiguous discrimination of n linearly independent pure states. The uniqueness of solution is proved. The condition under which the problem is reduced to an (n-1)-state problem is clarified. After giving the solution for three pure states with real mutual inner products, we examine some difficulties in extending our method to the case of complex inner products. There is a class of set of three pure states with complex inner products for which we obtain an analytical solution.

  4. Solutions of the Noh Problem for Various Equations of State Using Lie Groups

    SciTech Connect

    Axford, R.A.

    1998-08-01

    A method for developing invariant equations of state for which solutions of the Noh problem will exist is developed. The ideal gas equation of state is shown to be a special case of the general method. Explicit solutions of the Noh problem in planar, cylindrical and spherical geometry are determined for a Mie-Gruneisen and the stiff gas equation of state.

  5. Relationships between the solution and solid-state properties of solution-cast low-k silica thin films.

    PubMed

    Chiang, Chao-Ching; Su, Chien-You; Yang, An-Chih; Wang, Ting-Yu; Lee, Wen-Ya; Hua, Chi-Chung; Kang, Dun-Yen

    2016-07-27

    This paper reports on the fabrication of low-k (amorphous) silica thin films cast from solutions without and with two different types of surfactants (TWEEN® 80 and Triton™ X-100) to elucidate the relationships between the structural/morphological features of the casting solutions and the physical properties of the resulting thin films. Cryogenic transmission microscopy (cryo-TEM), static/dynamic light scattering (SLS/DLS), and small-angle X-ray scattering (SAXS) revealed contrasting colloidal dispersion states and phase behavior among the three casting solutions. Casting solution with the Triton™ X-100 surfactant produced stable (>90 days) nanoparticles with good dispersion in solution (mean particle size ∼10 nm) as well as good mesopore volume (characterized by nitrogen physisorption) in powder and thin films of high mechanical strength (characterized by the nanoindentation test). The longer main chain and bulkier side units of the TWEEN® 80 surfactant led to stable micelle-nanoparticle coexisting dispersion, which resulted in the highest mesopore volume in powder and thin films with the lowest dielectric constant (∼3) among the samples in this study. The casting solution without the surfactant failed to produce a stabilized solution or thin films of acceptable uniformity. These findings demonstrate the possibility of fine-tuning low-k silica film properties by controlling the colloidal state of casting solutions. PMID:27401818

  6. Stationary mutation models.

    PubMed

    Simonsson, Ivar; Mostad, Petter

    2016-07-01

    Probability calculations for relationship inference based on DNA tests are often performed with computer packages such as Familias. When mutations are assumed to be a possibility, one may notice a curious and problematic effect of including untested parents: results tend to change slightly. In this paper, we trace this effect back to fundamental model-formulating issues which can only be resolved by using stationary mutation models. We present several methods for obtaining such stationary mutation matrices from original mutation matrices, and evaluate essential properties of these methods. Our conclusion is that typically, stationary mutation models can be obtained, but for many types of markers, it may be impossible to combine specific biologically reasonable requirements for a mutation matrix with the requirement of stationarity. PMID:27231805

  7. Controlling Molecular Ordering in Solution-State Conjugated Polymers

    SciTech Connect

    Zhu, Jiahua; Han, Youngkyu; Kumar, Rajeev; Hong, Kunlun; Bonnesen, Peter V.; Sumpter, Bobby G.; Smith, Gregory Scott; Ivanov, Ilia N.; Do, Changwoo

    2015-07-17

    Rationally encoding molecular interactions that can control the assembly structure and functional expression in solution of conjugated polymers holds great potential for enabling optimal organic optoelectronic and sensory materials. In this work, we show that thermally-controlled and surfactant-guided assembly of water-soluble conjugated polymers in aqueous solution is a simple and effective strategy to generate optoelectronic materials with desired molecular ordering. We have studied a conjugated polymer consisting of a hydrophobic thiophene backbone and hydrophilic, thermo-responsive ethylene oxide side groups, which shows a step-wise, multi-dimensional assembly in water. By incorporating the polymer into phase-segregated domains of an amphiphilic surfactant in solution, we demonstrate that both chain conformation and degree of molecular ordering of the conjugated polymer can be tuned in hexagonal, micellar and lamellar phases of the surfactant solution. The controlled molecular ordering in conjugated polymer assembly is demonstrated as a key factor determining the electronic interaction and optical function.

  8. Controlling molecular ordering in solution-state conjugated polymers

    NASA Astrophysics Data System (ADS)

    Zhu, J.; Han, Y.; Kumar, R.; He, Y.; Hong, K.; Bonnesen, P. V.; Sumpter, B. G.; Smith, S. C.; Smith, G. S.; Ivanov, I. N.; Do, C.

    2015-09-01

    Rationally encoding molecular interactions that can control the assembly structure and functional expression in a solution of conjugated polymers hold great potential for enabling optimal organic optoelectronic and sensory materials. In this work, we show that thermally-controlled and surfactant-guided assembly of water-soluble conjugated polymers in aqueous solution is a simple and effective strategy to generate optoelectronic materials with the desired molecular ordering. We have studied a conjugated polymer consisting of a hydrophobic thiophene backbone and hydrophilic, thermo-responsive ethylene oxide side groups, which shows a step-wise, multi-dimensional assembly in water. By incorporating the polymer into phase-segregated domains of an amphiphilic surfactant in solution, we demonstrate that both chain conformation and degree of molecular ordering of the conjugated polymer can be tuned in hexagonal, micellar and lamellar phases of the surfactant solution. The controlled molecular ordering in conjugated polymer assembly is demonstrated as a key factor determining the electronic interaction and optical function.Rationally encoding molecular interactions that can control the assembly structure and functional expression in a solution of conjugated polymers hold great potential for enabling optimal organic optoelectronic and sensory materials. In this work, we show that thermally-controlled and surfactant-guided assembly of water-soluble conjugated polymers in aqueous solution is a simple and effective strategy to generate optoelectronic materials with the desired molecular ordering. We have studied a conjugated polymer consisting of a hydrophobic thiophene backbone and hydrophilic, thermo-responsive ethylene oxide side groups, which shows a step-wise, multi-dimensional assembly in water. By incorporating the polymer into phase-segregated domains of an amphiphilic surfactant in solution, we demonstrate that both chain conformation and degree of molecular ordering

  9. 2D steady-state general solution and fundamental solution for fluid-saturated, orthotropic, poroelastic materials

    NASA Astrophysics Data System (ADS)

    Pan, Li-Hua; Hou, Peng-Fei; Chen, Jia-Yun

    2016-08-01

    The 2D steady-state solutions regarding the expressions of stress and strain for fluid-saturated, orthotropic, poroelastic plane are derived in this paper. For this object, the general solutions of the corresponding governing equation are first obtained and expressed in harmonic functions. Based on these compact general solutions, the suitable harmonic functions with undetermined constants for line fluid source in the interior of infinite poroelastic body and a line fluid source on the surface of semi-infinite poroelastic body are presented, respectively. The fundamental solutions can be obtained by substituting these functions into the general solution, and the undetermined constants can be obtained by the continuous conditions, equilibrium conditions and boundary conditions.

  10. Instability of stationary liquid sheets.

    PubMed

    Ardekani, A M; Joseph, D D

    2009-03-31

    The rupture of a 3D stationary free liquid film under the competing effects of surface tension and van der Waals forces is studied as a linearized stability problem in a purely irrotational analysis utilizing the dissipation method. The results of the foregoing analysis are compared with a 2D long-wave approximation that has given rise to an extensive literature on the rupture problem. The irrotational and long-wave approximations are here compared with the exact 2D solution. The exact solution and the two approximate theories give the same results for infinitely long waves. The problem considered depends on two dimensionless parameters, the Hamaker number and the Ohnesorge number. The Hamaker number is a dimensionless number defined as a measure of the ratio of van der Waals forces to surface tension. The exact solution and the two approximate solutions differ by < 1% when the Hamaker number is small for all values of the Ohnesorge number. When the Ohhnesorge number is close to one, as in the case of water films separated by distance 100 A, the long-wave approximation overestimates and the potential flow approximation underestimates the exact solution by similar small amounts. The high accuracy of the dissipation method shows that the effects of vorticity are small for small to moderate Hamaker numbers. PMID:19279213

  11. Stationary nonlinear Alfven waves and solitons

    NASA Technical Reports Server (NTRS)

    Hada, T.; Kennel, C. F.; Buti, B.

    1989-01-01

    Stationary solutions of the derivative nonlinear Schroedinger equation are discussed and classified by using a pseudopotential formulation. The solutions consist of a rich family of nonlinear Alfven waves and solitons with parallel and oblique propagation directions. Expressions for the envelope and the phase of nonlinear waves with periodic envelope modulation, and 'hyperbolic' and 'algebraic' solitons are given. The propagation angle for the slightly modulated elliptic, periodic waves and for oblique solitons is evaluated.

  12. Stationary phase in the yeast Saccharomyces cerevisiae.

    PubMed Central

    Werner-Washburne, M; Braun, E; Johnston, G C; Singer, R A

    1993-01-01

    Growth and proliferation of microorganisms such as the yeast Saccharomyces cerevisiae are controlled in part by the availability of nutrients. When proliferating yeast cells exhaust available nutrients, they enter a stationary phase characterized by cell cycle arrest and specific physiological, biochemical, and morphological changes. These changes include thickening of the cell wall, accumulation of reserve carbohydrates, and acquisition of thermotolerance. Recent characterization of mutant cells that are conditionally defective only for the resumption of proliferation from stationary phase provides evidence that stationary phase is a unique developmental state. Strains with mutations affecting entry into and survival during stationary phase have also been isolated, and the mutations have been shown to affect at least seven different cellular processes: (i) signal transduction, (ii) protein synthesis, (iii) protein N-terminal acetylation, (iv) protein turnover, (v) protein secretion, (vi) membrane biosynthesis, and (vii) cell polarity. The exact nature of the relationship between these processes and survival during stationary phase remains to be elucidated. We propose that cell cycle arrest coordinated with the ability to remain viable in the absence of additional nutrients provides a good operational definition of starvation-induced stationary phase. PMID:8393130

  13. Design and development of Stirling Engines for stationary power generation applications in the 500 to 3000 hp range. Subtask 1A report: state-of-the-art conceptual design

    SciTech Connect

    1980-03-01

    The first portion of the Conceptual Design Study of Stirling Engines for Stationary Power Application in the 500 to 3000 hp range which was aimed at state-of-the-art stationary Stirling engines for a 1985 hardware demonstration is summarized. The main goals of this effort were to obtain reliable cost data for a stationary Stirling engine capable of meeting future needs for total energy/cogeneration sysems and to establish a pragmatic and conservative base design for a first generation hardware. Starting with an extensive screening effort, 4 engine types, i.e., V-type crank engine, radial engine, swashplate engine, and rhombic drive engine, and 3 heat transport systems, i.e., heat pipe, pressurized gas heat transport loop, and direct gas fired system, were selected. After a preliminary layout cycle, the rhombic drive engine was eliminated due to intolerable maintenance difficulties on the push rod seals. V, radial and swashplate engines were taken through a detailed design/layout cycle, to establish all important design features and reliable engine weights. After comparing engine layouts and analyzing qualitative and quantitative evaluation criteria, the V-crank engine was chosen as the candidate for a 1985 hardware demonstration.

  14. Controlling Molecular Ordering in Solution-State Conjugated Polymers

    DOE PAGESBeta

    Zhu, Jiahua; Han, Youngkyu; Kumar, Rajeev; Hong, Kunlun; Bonnesen, Peter V.; Sumpter, Bobby G.; Smith, Gregory Scott; Ivanov, Ilia N.; Do, Changwoo

    2015-07-17

    Rationally encoding molecular interactions that can control the assembly structure and functional expression in solution of conjugated polymers holds great potential for enabling optimal organic optoelectronic and sensory materials. In this work, we show that thermally-controlled and surfactant-guided assembly of water-soluble conjugated polymers in aqueous solution is a simple and effective strategy to generate optoelectronic materials with desired molecular ordering. We have studied a conjugated polymer consisting of a hydrophobic thiophene backbone and hydrophilic, thermo-responsive ethylene oxide side groups, which shows a step-wise, multi-dimensional assembly in water. By incorporating the polymer into phase-segregated domains of an amphiphilic surfactant in solution,more » we demonstrate that both chain conformation and degree of molecular ordering of the conjugated polymer can be tuned in hexagonal, micellar and lamellar phases of the surfactant solution. The controlled molecular ordering in conjugated polymer assembly is demonstrated as a key factor determining the electronic interaction and optical function.« less

  15. Is State-Mandated Redesign an Effective and Sustainable Solution?

    ERIC Educational Resources Information Center

    Young, Michelle D.

    2013-01-01

    There is a pervasive and ongoing perception that leadership preparation is a problem. Important questions remain about the intentions, capacity, and impact of state departments of education engaged in leadership preparation program redesign. In this essay, I take up several issues concerning this state policy work, including whether a one size…

  16. The use of series-solutions for batch and sequential estimation. [of nonlinear spacecraft state

    NASA Technical Reports Server (NTRS)

    Feagin, T.; Mikkilineni, R. P.

    1975-01-01

    Iterative methods for the approximate solution of the nonlinear state estimation problem are investigated in which the solution is retained in the form of a finite series of Chebyshev polynomials. Algorithms are presented which allow the state to be estimated from observational data in either the batch or the sequential form. The advantages of these techniques are discussed.

  17. HYDROCARBON POLLUTANTS FROM STATIONARY SOURCES

    EPA Science Inventory

    The report gives results of a study of hydrocarbon pollutants from stationary sources. Early in the study, readily available information was assembled on stationary sources of hydrocarbon emissions and effluents. Information was also obtained on process descriptions, operating pa...

  18. Generation of stationary and moving vortices in active polar fluids in the planar Taylor-Couette geometry.

    PubMed

    Neef, M; Kruse, K

    2014-11-01

    We study the dynamics of an active polar fluid in the interstitial space between two fixed coaxial cylinders. For sufficiently large expansive or contractive active stresses, the fluid presents roll instabilities of axially symmetric states leading to the spontaneous formation of vortices in the flow field. These vortices are either stationary or travel around the inner cylinder. Increasing the activity further, our numerical solutions indicate the existence of active turbulence that coexists with regular vortex solutions. PMID:25493812

  19. Relaminarization under stationary vortices

    NASA Astrophysics Data System (ADS)

    Breidenthal, Robert

    2005-11-01

    Flow visualization reveals that a turbulent boundary layer is relaminarized when stationary streamwise vortices are introduced. Following a suggestion of Balle, the vortices are stabilized by large streamwise ``Karman'' grooves in a wavy wall. In a water tunnel, upstream vortex generators place a large streamwise vortex in the middle of each groove, at the stationary point where Prandtl's vortex force vanishes. According to a theory by Cotel, the wall fluxes of a turbulent boundary layer should decline to laminar values under such ``persistent'' vortices. The observed relaminarization is consistent with this theory and with previous measurements of heat transfer by Touel and Balle. However, the structure of the transverse flow resembles the cats-eye pattern of a temporal shear layer rather than the anticipated von Karman wake. The cats-eye pattern corresponds to the forced shear layers of Oster-Wygnanski and Roberts, who found that the Reynolds stresses and mixing rate also decline to laminar values.

  20. Syntheses of terminal control for nonlinear stationary controlled system under incomplete information

    NASA Astrophysics Data System (ADS)

    Kvitko, Alexander

    2016-06-01

    By constructing a Luenberger-type asymptotic observer, a method of finding the control function, that ensures the translation of a class of nonlinear stationary control systems of ordinary differential equations from the initial state to a given final state taking into account the actual measured values, was developed. A constructive criterion guaranteeing the existence of solution of this problem was found. An algorithm is proposed for constructing a control function that transfer wide class of nonlinear systems of ordinary differential equations from an initial state to an fixed state. The algorithm is convenient for numerical implementation. A constructive condition is obtained for which this transfer is possible.

  1. State-based coverage solutions: the California Health Benefit Exchange.

    PubMed

    Weinberg, Micah; Haase, Leif Wellington

    2011-05-01

    California was the first state to create its own health insurance exchange after the passage of the Affordable Care Act. Because of its front-runner status and the sheer size of its coverage expansion, California's choices will have implications for other states as they address difficult issues, including minimizing adverse selection, promoting cost-conscious consumer choice, and seamlessly coordinating with public programs. California took advantage of the flexibility in the federal health reform law to create an exchange that will function as an active purchaser in the marketplace; take significant steps to combat adverse selection both against and within the exchange, including requiring all insurers to sell all tiers of products and making exchange participation a condition of selling catastrophic plans; and allow community-based health plans to develop commercial offerings for the exchange. This brief examines these decisions, which will provide a roadmap for other states as they set up their exchanges. PMID:21630546

  2. Arbitrary Steady-State Solutions with the K-epsilon Model

    NASA Technical Reports Server (NTRS)

    Rumsey, Christopher L.; Pettersson Reif, B. A.; Gatski, Thomas B.

    2006-01-01

    Widely-used forms of the K-epsilon turbulence model are shown to yield arbitrary steady-state converged solutions that are highly dependent on numerical considerations such as initial conditions and solution procedure. These solutions contain pseudo-laminar regions of varying size. By applying a nullcline analysis to the equation set, it is possible to clearly demonstrate the reasons for the anomalous behavior. In summary, the degenerate solution acts as a stable fixed point under certain conditions, causing the numerical method to converge there. The analysis also suggests a methodology for preventing the anomalous behavior in steady-state computations.

  3. Back to the future: stationary source testing for fine PM

    SciTech Connect

    Ron Myers

    2006-04-15

    Decisions will be necessary concerning the most appropriate stationary source test methodologies for continuing our efforts to clean up the atmosphere. In many regions of the United States, existing methods to measure stationary source pollutant emissions may be acceptable for the foreseeable future. However, other regions will require more comprehensive source measurement methods that expand the measured pollutants to include the full range of the atmospheric burden. Decisions about which path(s) to follow will depend on existing ambient air quality levels an the need to better quantify atmospheric emissions of primary PM from stationary sources, control stationary source primary PM to achieve the ambient air quality standard, and better understand the components of stationary source primary PM emissions. This article focuses on quantifying fine PM emissions from stationary sources, including Method 5B for utility plants. 24 refs., 1 tab.

  4. Stationary light in cold-atomic gases

    SciTech Connect

    Nikoghosyan, Gor; Fleischhauer, Michael

    2009-07-15

    We discuss stationary light created by a pair of counterpropagating control fields in {lambda}-type atomic gases with electromagnetically induced transparency for the case of negligible Doppler broadening. In this case, the secular approximation used in the discussion of stationary light in hot vapors is no longer valid. We discuss the quality of the effective light-trapping system and show that in contrast to previous claims it is finite even for vanishing ground-state dephasing. The dynamics of the photon loss is in general nonexponential and can be faster or slower than in hot gases.

  5. Qualitative analysis of stationary Keller-Segel chemotaxis models with logistic growth

    NASA Astrophysics Data System (ADS)

    Wang, Qi; Yan, Jingda; Gai, Chunyi

    2016-06-01

    We study the stationary Keller-Segel chemotaxis models with logistic cellular growth over a one-dimensional region subject to the Neumann boundary condition. We show that nonconstant solutions emerge in the sense of Turing's instability as the chemotaxis rate {χ} surpasses a threshold number. By taking the chemotaxis rate as the bifurcation parameter, we carry out bifurcation analysis on the system to obtain the explicit formulas of bifurcation values and small amplitude nonconstant positive solutions. Moreover, we show that solutions stay strictly positive in the continuum of each branch. The stabilities of these steady-state solutions are well studied when the creation and degradation rate of the chemical is assumed to be a linear function. Finally, we investigate the asymptotic behaviors of the monotone steady states. We construct solutions with interesting patterns such as a boundary spike when the chemotaxis rate is large enough and/or the cell motility is small.

  6. Correspondence between physical states and solutions to the coupled-cluster equations

    SciTech Connect

    Jankowski, K.; Kowalski, K; Grabowski, I.; Monkhorst, H.J.

    1999-12-01

    To discuss the usefulness of the entries of the complete set of solutions to approximate coupled-cluster (CC) equations for the description of the states of many-electron systems, one has to be able to establish a correspondence between the states and solutions. The authors have explored four methods of finding links between the states (represented for the model by the full configuration interaction wave functions and energies) and solutions to the CC equations. Numerical studies for the P4 model, which belongs to the simplest realistic many-electron model systems, show that the states-solutions correspondence pattern strongly depends on the method employed. Only for a few states all methods considered have assigned the same solutions. Among these states are those that are energetically the closest to the reference determinants. For the remaining states the assignment is not unique and the accuracy of description depends on the physical features considered. The article is concluded with a comparison of the present results and results of the most recent studies on the structure of the complete sets of solutions to the CC equations with the findings and intuitions being the content of the work by Zivkovic and Monkhorst (J Math Phys 1978, 19, 1007).

  7. Multiple solutions of the single-reference coupled-cluster equations. II. Alternative reference states

    SciTech Connect

    Jankowski, K.; Kowalski, K.; Jankowski, P.

    1995-03-05

    Single-reference coupled-cluster (SR-CC) methods parametrized with respect to four alternative reference-state configurations and orbital sets are applied to the simple H4 model system in which the degree of quasi-degeneracy of the electronic states can be varied in a wide range. Both the ground state and 10 excited states are considered with the aim of numerically studying the attainability and properties of multiple solutions of the system of nonlinear equations for the cluster amplitudes. Comparisons of up to four alternative descriptions of a given state in terms of various solutions of the SR-CC equations are made. It is found that for some excited states different parametrizations yield very close results and that the classification of the solutions into standard and nonstandard ones may not be straightforward. 15 refs., 12 tabs.

  8. Finite element solution of optimal control problems with state-control inequality constraints

    NASA Technical Reports Server (NTRS)

    Bless, Robert R.; Hodges, Dewey H.

    1992-01-01

    It is demonstrated that the weak Hamiltonian finite-element formulation is amenable to the solution of optimal control problems with inequality constraints which are functions of both state and control variables. Difficult problems can be treated on account of the ease with which algebraic equations can be generated before having to specify the problem. These equations yield very accurate solutions. Owing to the sparse structure of the resulting Jacobian, computer solutions can be obtained quickly when the sparsity is exploited.

  9. Stationary Fuel Cell Systems Analysis Project: Partnership Opportunities; NREL (National Renewable Energy Laboratory)

    SciTech Connect

    2015-06-01

    This fact sheet describes opportunities for interested stationary fuel cell developers and end users to participate in an objective and credible analysis of stationary fuel cell systems to benchmark the current state of the technology and support industry growth.

  10. Positive periodic solutions for a neutral Lotka-Volterra system with state dependent delays

    NASA Astrophysics Data System (ADS)

    Li, Yongkun; Zhao, Lili

    2009-04-01

    By using a fixed point theorem of strict-set-contraction, some new criteria are established for the existence of positive periodic solutions of the following periodic neutral Lotka-Volterra system with state dependent delays

  11. Non-periodic discrete Schrödinger equations: ground state solutions

    NASA Astrophysics Data System (ADS)

    Chen, Guanwei; Schechter, Martin

    2016-06-01

    In this paper, we study a class of non-periodic discrete Schrödinger equations with superlinear non-linearities at infinity. Under conditions weaker than those previously assumed, we obtain the existence of ground state solutions, i.e., non-trivial solutions with least possible energy. In addition, an example is given to illustrate our results.

  12. Ceramic stationary gas turbine

    SciTech Connect

    Roode, M. van

    1995-12-31

    The performance of current industrial gas turbines is limited by the temperature and strength capabilities of the metallic structural materials in the engine hot section. Because of their superior high-temperature strength and durability, ceramics can be used as structural materials for hot section components (blades, nozzles, combustor liners) in innovative designs at increased turbine firing temperatures. The benefits include the ability to increase the turbine inlet temperature (TIT) to about 1200{degrees}C ({approx}2200{degrees}F) or more with uncooled ceramics. It has been projected that fully optimized stationary gas turbines would have a {approx}20 percent gain in thermal efficiency and {approx}40 percent gain in output power in simple cycle compared to all metal-engines with air-cooled components. Annual fuel savings in cogeneration in the U.S. would be on the order of 0.2 Quad by 2010. Emissions reductions to under 10 ppmv NO{sub x} are also forecast. This paper describes the progress on a three-phase, 6-year program sponsored by the U.S. Department of Energy, Office of Industrial Technologies, to achieve significant performance improvements and emissions reductions in stationary gas turbines by replacing metallic hot section components with ceramic parts. Progress is being reported for the period September 1, 1994, through September 30, 1995.

  13. Ceramic stationary gas turbine

    SciTech Connect

    Roode, M. van

    1995-10-01

    The performance of current industrial gas turbines is limited by the temperature and strength capabilities of the metallic structural materials in the engine hot section. Because of their superior high-temperature strength and durability, ceramics can be used as structural materials for hot section components (blades, nozzles, combustor liners) in innovative designs at increased turbine firing temperatures. The benefits include the ability to increase the turbine inlet temperature (TIT) to about 1200{degrees}C ({approx}2200{degrees}F) or more with uncooled ceramics. It has been projected that fully optimized stationary gas turbines would have a {approx}20 percent gain in thermal efficiency and {approx}40 percent gain in output power in simple cycle compared to all metal-engines with air-cooled components. Annual fuel savings in cogeneration in the U.S. would be on the order of 0.2 Quad by 2010. Emissions reductions to under 10 ppmv NO{sub x} are also forecast. This paper describes the progress on a three-phase, 6-year program sponsored by the U.S. Department of Energy, Office of Industrial Technologies, to achieve significant performance improvements and emissions reductions in stationary gas turbines by replacing metallic hot section components with ceramic parts. Progress is being reported for the period September 1, 1994, through September 30, 1995.

  14. State-constrained booster trajectory solutions via finite elements and shooting

    NASA Technical Reports Server (NTRS)

    Bless, Robert R.; Hodges, Dewey H.; Seywald, Hans

    1993-01-01

    This paper presents an extension of a FEM formulation based on variational principles. A general formulation for handling internal boundary conditions and discontinuities in the state equations is presented, and the general formulation is modified for optimal control problems subject to state-variable inequality constraints. Solutions which only touch the state constraint and solutions which have a boundary arc of finite length are considered. Suitable shape and test functions are chosen for a FEM discretization. All element quadrature (equivalent to one-point Gaussian quadrature over each element) may be done in closed form. The final form of the algebraic equations is then derived. A simple state-constrained problem is solved. Then, for a practical application of the use of the FEM formulation, a launch vehicle subject to a dynamic pressure constraint (a first-order state inequality constraint) is solved. The results presented for the launch-vehicle trajectory have some interesting features, including a touch-point solution.

  15. PROCESS OF SECURING PLUTONIUM IN NITRIC ACID SOLUTIONS IN ITS TRIVALENT OXIDATION STATE

    DOEpatents

    Thomas, J.R.

    1958-08-26

    >Various processes for the recovery of plutonium require that the plutonium be obtalned and maintained in the reduced or trivalent state in solution. Ferrous ions are commonly used as the reducing agent for this purpose, but it is difficult to maintain the plutonium in a reduced state in nitric acid solutions due to the oxidizing effects of the acid. It has been found that the addition of a stabilizing or holding reductant to such solution prevents reoxidation of the plutonium. Sulfamate ions have been found to be ideally suitable as such a stabilizer even in the presence of nitric acid.

  16. Solution of steady-state one-dimensional conservation laws by mathematical programming

    NASA Technical Reports Server (NTRS)

    Lavery, J. E.

    1989-01-01

    Solution techniques for a class of steady-state scalar conservation laws are developed analytically. Discretization by finite-volume formulas is employed to obtain an overdetermined system of algebraic equations, which are then perturbed nonsingularly (with perturbation coefficient = epsilon) and solved using the l(1) mathematical-programming algorithm of Seneta and Steiger (1984); this approach limits the matrix bandwidth to two, so that an explicit solution can be found efficiently. It is shown that, for small values of epsilon, the l(1) solutions exhibit sharp correctly located shocks and are nonoscillatory O(epsilon) approximations of the physically relevant solutions.

  17. Integrating matrix solution of the hybrid state vector equations for beam vibration

    NASA Technical Reports Server (NTRS)

    Lehman, L. L.

    1982-01-01

    A simple, versatile, and efficient computational technique has been developed for dynamic analysis of linear elastic beam and rod type of structures. Moreover, the method provides a rather general solution approach for two-point boundary value problems that are described by a single independent spatial variable. For structural problems, the method is implemented by a mixed state vector formulation of the differential equations, combined with an integrating matrix solution procedure. Highly accurate solutions are easily achieved with this approach. Example solutions are given for beam vibration problems including discontinuous stiffness and mass parameters, elastic restraint boundary conditions, concentrated inertia loading, and rigid body modes

  18. Analytical solution of the heat equation in a longitudinally pumped cubic solid-state laser

    SciTech Connect

    Sabaeian, Mohammad; Nadgaran, Hamid; Mousave, Laleh

    2008-05-01

    Knowledge about the temperature distribution inside solid-state laser crystals is essential for calculation of thermal phase shift, thermal lensing, thermally induced birefringence, and heat-induced crystal bending. Solutions for the temperature distribution for the case of steady-state heat loading have appeared in the literature only for simple cylindrical crystal shapes and are usually based on numerical techniques. For the first time, to our knowledge, a full analytical solution of the heat equation for an anisotropic cubic cross-section solid-state crystal is presented. The crystal is assumed to be longitudinally pumped by a Gaussian pump profile. The pump power attenuation along the crystal and the real cooling mechanisms, such as convection, are considered in detail. A comparison between our analytical solutions and its numerical counterparts shows excellent agreement when just a few terms are employed in the series solutions.

  19. Nuclear magnetic resonance investigation of the state of water in protein solution.

    PubMed

    Uemitsu, N; Oashi, H; Matsumiya, H

    1975-07-01

    The line width of the NMR signal of water protons in solutions of native actomyosin and actomyosin denatured by heat, acetone or urea was measured over the temperature range from -10 degrees to below the freezing point. The line widths of the water band which increased exponentially with decreasing temperature were compared with each other and also with those of the corresponding control solution without actomyosin. The line broadening observed for native actomyosin solution on lowering the temperature was significantly smaller than that for heat-denatured actomyosin solution. This difference implies that this signal is sensitive to conformational perturbations of the protein. In addition, the temperature dependence of the line width for heat-, acetone-, or urea-denatured actomyosin solution was similar to that for the corresponding control solution. These phenomena can be interpreted in terms of the state of water associated with the hydrophobic and hydrophilic residues. Similar NMR studies of actomyosin solution containing dimethyl sulfoxide (DMSO) or dimethylformamide (DMF) showed that DMSO and DMF prevent the formation of ice crystals until about -70 degrees, suggesting that the cryoprotective effects of DMSO and DMF are due to the change in the state of water described above. These differences in temperature dependence between the sample and control solutions are well-correlated with the viscosity of the solution. This correlation is useful for elucidation of the mechanism of the protein denaturation. PMID:1194253

  20. Bloch Walls and Macroscopic String States in Bethe's Solution of the Heisenberg Ferromagnetic Linear Chain

    NASA Astrophysics Data System (ADS)

    Dhar, Abhishek; Sriram Shastry, B.

    2000-09-01

    We present a calculation of the lowest excited states of the Heisenberg ferromagnet in 1D for any wave vector. These turn out to be string solutions of Bethe's equations with a macroscopic number of particles in them. They are identified as generalized quantum Bloch wall states, and a simple physical picture is provided for the same.

  1. Thermocapillary Convection Due to a Stationary Bubble - A Paradox

    NASA Technical Reports Server (NTRS)

    Balasubramaniam, R.; Subramanian, R. S.

    2003-01-01

    We analyze the velocity and temperature fields at steady state due to thermocapillary convection around a gas bubble that is stationary in a liquid. A linear temperature field is imposed in the undisturbed liquid. Our interest is in investigating the effect of convective transport of momentum and energy on the velocity and temperature fields. We assume the pertinent physical properties to be constant, and that buoyant convection is negligible. Suitably defined Reynolds and Marangoni numbers are assumed to be small compared with unity. When both the Reynolds and Marangoni numbers are set equal to zero, a solution can be found. In this solution, far from the bubble, the velocity field decays as the inverse of the distance from the bubble, and the disturbance temperature field decays as the inverse of the square of this distance. We now attempt to obtain a solution when the Reynolds number is zero, but the Marangoni number is small, but non-zero, by a perturbation expansion in the Marangoni number. When the temperature field is expanded in a regular perturbation series in the Marangoni number, we show that the problem for the first correction field is ill-posed. The governing equation for this perturbation field contains an inhomogeneity, and the corresponding particular solution neither decays far from the bubble, nor can be canceled by a homogeneous solution. Additional information is included in the original extended abstract.

  2. Stationary engineering handbook

    SciTech Connect

    Petrocelly, K.L.

    1989-01-01

    Years ago, the only qualifications you needed to become to become an operating engineer were the ability to shovel large chunks of coal through small furnace doors and the fortitude to sweat profusely for hours without fainting. As a consequence of technological evolution, the engineer's coal shovels have been replaced with computers and now perspiration is more the result of job stress than exposure to high temperatures. The domain of the operator has been extended far beyond the smoke-filled caverns that once encased him, out into the physical plant, and his responsibilities have been expanded accordingly. Unlike his less sophisticated predecessor, today's technician must be well versed in all aspects of the operation. The field of power plant operations has become a full-fledged profession and its principals are called Stationary Engineers. This book addresses the areas of responsibility and the education and skills needed for successful operation of building services equipment.

  3. Stationary second-degree iterative methods and recurrences

    SciTech Connect

    Kincaid, D.R.; Young, D.M.

    1991-02-01

    The basic theory of stationary second-degree iterative methods is presented from the point of view of recurrences. Recurrences are encountered in the development of expressions for the spectral radii and for various norms associated with linear stationary iterative methods. We show that many of these recurrences are special cases of a single general recurrence and that its closed-form solution leads to these expressions. Citations are given showing where the expressions occur in the theory of iterative methods.

  4. Stability of erythrocyte suspensions layered on stationary and flowing liquids

    NASA Technical Reports Server (NTRS)

    Omenyi, S. N.; Rhodes, P. H.; Snyder, R. S.

    1982-01-01

    The apparent stability of erythrocyte suspensions layered on stationary and flowing Ficoll solutions was studied considering the effects of particle concentration, type and size, and the different flow rates of the particle suspensions and chamber liquid. The data from the flowing system were empirically fitted and, when extrapolated to zero chamber liquid flow rate, gave values comparable to the data from the stationary system, thus confirming the validity of the data and our approach to obtain that data.

  5. Stationary Engineering Laboratory Manual--2.

    ERIC Educational Resources Information Center

    Steingress, Frederick M.; Frost, Harold J.

    The Stationary Engineering Laboratory Manual 2 was designed for vocational/technical high school students who have received instruction in the basics of stationary engineering. It was developed for students who will be operating a live plant and who will be responsible for supplying steam for heating, cooking, and baking. Each lesson in the manual…

  6. Stationary Engineering. Science Manual--2.

    ERIC Educational Resources Information Center

    Frost, Harold J.; Steingress, Frederick M.

    This second-year student manual contains 140 brief related science lessons applying science and math to trade activities in the field of stationary engineering. The lessons are organized into 16 units: (1) Introduction to Stationary Engineering, (2) Engineering Fundamentals, (3) Steam Boilers, (4) Boiler Fittings, (5) Boilerroom System, (6)…

  7. Iterative solutions to the steady-state density matrix for optomechanical systems.

    PubMed

    Nation, P D; Johansson, J R; Blencowe, M P; Rimberg, A J

    2015-01-01

    We present a sparse matrix permutation from graph theory that gives stable incomplete lower-upper preconditioners necessary for iterative solutions to the steady-state density matrix for quantum optomechanical systems. This reordering is efficient, adding little overhead to the computation, and results in a marked reduction in both memory and runtime requirements compared to other solution methods, with performance gains increasing with system size. Either of these benchmarks can be tuned via the preconditioner accuracy and solution tolerance. This reordering optimizes the condition number of the approximate inverse and is the only method found to be stable at large Hilbert space dimensions. This allows for steady-state solutions to otherwise intractable quantum optomechanical systems. PMID:25679739

  8. Trumpet solution from spherical gravitational collapse with puncture gauges

    SciTech Connect

    Thierfelder, Marcus; Bernuzzi, Sebastiano; Hilditch, David; Bruegmann, Bernd; Rezzolla, Luciano

    2011-03-15

    We investigate the stationary end state obtained by evolving a collapsing spherical star with the gauges routinely adopted to study puncture black holes. We compare the end state of the collapse with the trumpet solution found in the evolution of a single wormhole slice and show that the two solutions closely agree. We demonstrate that the agreement is caused by the use of the Gamma-driver shift condition, which allows the matter to fall inwards into a region of spacetime that is not resolved by the numerical grid, and which simultaneously finds the stationary coordinates of the trumpet outside the matter.

  9. Stationary Waves of the Ice Age Climate.

    NASA Astrophysics Data System (ADS)

    Cook, Kerry H.; Held, Isaac M.

    1988-08-01

    A linearized, steady state, primitive equation model is used to simulate the climatological zonal asymmetries (stationary eddies) in the wind and temperature fields of the 18 000 YBP climate during winter. We compare these results with the eddies simulated in the ice age experiments of Broccoli and Manabe, who used CLIMAP boundary conditions and reduced atmospheric CO2 in an atmospheric general circulation model (GCM) coupled with a static mixed layer ocean model. The agreement between the models is good, indicating that the linear model can be used to evaluate the relative influences of orography, diabatic heating, and transient eddy heat and momentum transports in generating stationary waves. We find that orographic forcing dominates in the ice age climate. The mechanical influence of the continental ice sheets on the atmosphere is responsible for most of the changes between the present day and ice age stationary eddies. This concept of the ice age climate is complicated by the sensitivity of the stationary eddies to the large increase in the magnitude of the zonal mean meridional temperature gradient simulated in the ice age GCM.

  10. Infinite product expansion of the Fokker–Planck equation with steady-state solution

    PubMed Central

    Martin, R. J.; Craster, R. V.; Kearney, M. J.

    2015-01-01

    We present an analytical technique for solving Fokker–Planck equations that have a steady-state solution by representing the solution as an infinite product rather than, as usual, an infinite sum. This method has many advantages: automatically ensuring positivity of the resulting approximation, and by design exactly matching both the short- and long-term behaviour. The efficacy of the technique is demonstrated via comparisons with computations of typical examples. PMID:26346100

  11. Numerical solution of a coupled pair of elliptic equations from solid state electronics

    NASA Technical Reports Server (NTRS)

    Phillips, T. N.

    1983-01-01

    Iterative methods are considered for the solution of a coupled pair of second order elliptic partial differential equations which arise in the field of solid state electronics. A finite difference scheme is used which retains the conservative form of the differential equations. Numerical solutions are obtained in two ways, by multigrid and dynamic alternating direction implicit methods. Numerical results are presented which show the multigrid method to be an efficient way of solving this problem.

  12. Approximate semi-analytical solutions for the steady-state expansion of a contactor plasma

    NASA Astrophysics Data System (ADS)

    Camporeale, E.; Hogan, E. A.; MacDonald, E. A.

    2015-04-01

    We study the steady-state expansion of a collisionless, electrostatic, quasi-neutral plasma plume into vacuum, with a fluid model. We analyze approximate semi-analytical solutions, that can be used in lieu of much more expensive numerical solutions. In particular, we focus on the earlier studies presented in Parks and Katz (1979 American Institute of Aeronautics, Astronautics Conf. vol 1), Korsun and Tverdokhlebova (1997 33rd Joint Prop. Conf. (Seattle, WA) AIAA-97-3065), and Ashkenazy and Fruchtman (2001 27th Int. Electric Propulsion Conf. (Pasadena, CA)). By calculating the error with respect to the numerical solution, we can judge the range of validity for each solution. Moreover, we introduce a generalization of earlier models that has a wider range of applicability, in terms of plasma injection profiles. We conclude by showing a straightforward way to extend the discussed solutions to the case of a plasma plume injected with non-null azimuthal velocity.

  13. Similarity Solutions of the Compressible Flow Equations for a General Equation of State

    NASA Astrophysics Data System (ADS)

    Boyd, Zachary; Ramsey, Scott; Baty, Roy

    2015-11-01

    The Euler compressible flow equations admit discontinuous (e.g. shock) solutions regardless of the equation of state (EOS) used to close them. In addition, certain classes of initial conditions and EOS admit special flows known as similarity solutions, including some containing shocks. These are useful (1) as test problems for hydrocodes, (2) as intermediate asymptotic estimates for non-symmetric problems, and (3) in forecasting experimental results. To date, the vast majority of work pertaining to similarity solutions of the Euler equations has been accomplished in the context of the ideal gas EOS; the case where the material is arbitrary is less well-understood. In this work, we classify using Lie-group analysis those materials which admit similarity solutions. We also indicate how such solutions may be found for a variety of materials of interest, including those characterized by particular forms of the Gruneisen EOS. Graduate Student Department of Mathematics, UCLA.

  14. f-state luminescence of lanthanide and actinide ions in solution

    SciTech Connect

    Beitz, J.V.

    1993-09-01

    Detailed studies of the luminescence of aquated Am{sup 3+} are presented in the context of prior lanthanide and actinide ion work. The luminescing state of aquated Am{sup 3+} is confirmed to be {sup 5}D{sub l} based on observed emission and excitation spectra. The luminescence lifetime of Am{sup 3+} in H{sub 2}O solution is (22 {plus_minus} 3) ns and (155 {plus_minus} 4) ns in D{sub 2}O solution at 295 K. Judd-Ofelt transition intensity theory qualitatively describes the observed Am{sup 3+} relative integrated fluorescence intensities. Recent luminescence studies on complexed trivalent f-element ions in solution are reviewed as to the similarities and differences between lanthanide ion 4f state and actinide ion 5f state properties.

  15. Discontinuous steady-state analytical solutions of the Boussinesq equation and their numerical representation by MODFLOW.

    PubMed

    Zaidel, Jacob

    2013-01-01

    Known analytical solutions of groundwater flow equations are routinely used for verification of computer codes. However, these analytical solutions (e.g., the Dupuit solution for the steady-state unconfined unidirectional flow in a uniform aquifer with a flat bottom) represent smooth and continuous water table configurations, simulating which does not pose any significant problems for the numerical groundwater flow models, like MODFLOW. One of the most challenging numerical cases for MODFLOW arises from drying-rewetting problems often associated with abrupt changes in the elevations of impervious base of a thin unconfined aquifer. Numerical solutions of groundwater flow equations cannot be rigorously verified for such cases due to the lack of corresponding exact analytical solutions. Analytical solutions of the steady-state Boussinesq equation, associated with the discontinuous water table configurations over a stairway impervious base, are presented in this article. Conditions resulting in such configurations are analyzed and discussed. These solutions appear to be well suited for testing and verification of computer codes. Numerical solutions, obtained by the latest versions of MODFLOW (MODFLOW-2005 and MODFLOW-NWT), are compared with the presented discontinuous analytical solutions. It is shown that standard MODFLOW-2005 code (as well as MODFLOW-2000 and older versions) has significant convergence problems simulating such cases. The problems manifest themselves either in a total convergence failure or erroneous results. Alternatively, MODFLOW-NWT, providing a good match to the presented discontinuous analytical solutions, appears to be a more reliable and appropriate code for simulating abrupt changes in water table elevations. PMID:23387826

  16. Analytical steady-state solutions for water-limited cropping systems using saline irrigation water

    NASA Astrophysics Data System (ADS)

    Skaggs, T. H.; Anderson, R. G.; Corwin, D. L.; Suarez, D. L.

    2014-12-01

    Due to the diminishing availability of good quality water for irrigation, it is increasingly important that irrigation and salinity management tools be able to target submaximal crop yields and support the use of marginal quality waters. In this work, we present a steady-state irrigated systems modeling framework that accounts for reduced plant water uptake due to root zone salinity. Two explicit, closed-form analytical solutions for the root zone solute concentration profile are obtained, corresponding to two alternative functional forms of the uptake reduction function. The solutions express a general relationship between irrigation water salinity, irrigation rate, crop salt tolerance, crop transpiration, and (using standard approximations) crop yield. Example applications are illustrated, including the calculation of irrigation requirements for obtaining targeted submaximal yields, and the generation of crop-water production functions for varying irrigation waters, irrigation rates, and crops. Model predictions are shown to be mostly consistent with existing models and available experimental data. Yet the new solutions possess advantages over available alternatives, including: (i) the solutions were derived from a complete physical-mathematical description of the system, rather than based on an ad hoc formulation; (ii) the analytical solutions are explicit and can be evaluated without iterative techniques; (iii) the solutions permit consideration of two common functional forms of salinity induced reductions in crop water uptake, rather than being tied to one particular representation; and (iv) the utilized modeling framework is compatible with leading transient-state numerical models.

  17. Stationary spiral flow in polytropic stellar models

    SciTech Connect

    Pekeris, C.L.

    1980-06-01

    It is shown that, in addition to the static Emden solution, a self-gravitating polytropic gas has a dynamic option in which there is stationary flow along spiral trajectories wound around the surfaces of concentric tori. The motion is obtained as a solution of a partial differential equation which is satisfied by the meridional stream function, coupled with Poisson's equation and a Bernoulli-type equation for the pressure (density). The pressure is affected by the whole of the Bernoulli term rather than by the centrifugal part only, which acts for a rotating model, and it may be reduced down to zero at the center. The spiral type of flow is illustrated for an incompressible fluid (n = 0), for which an exact solution is obtained. The features of the dynamic constant-density model are discussed as a basis for future comparison with the solution for compressible models.

  18. Complex plasma in g ×B configurations: Stability switching and stationary structure

    NASA Astrophysics Data System (ADS)

    Salahshoor, M.; Niknam, A. R.

    2015-08-01

    In a low-pressure magneto-gravitated complex plasma, the stability state of dust gravitational drift wave is switched at a critical wavenumber and the propagating dust magneto-gravitational drift wave is transformed into an aperiodic stationary structure at a cut-off wavenumber. In this paper, two analytical formulas have been derived for the critical wavenumber of stability switching and the cut-off wavenumber of stationary structure. The critical wavenumber is equal to the ratio of ion plasma frequency to ion streaming velocity and the cut-off wavenumber is proportional to the ratio of dust plasma frequency to dust g ×B drift velocity. These scaling formulas are in excellent agreement with exact numerical solutions of dispersion relations. These scenarios are expected to be observed in fully magnetized dusty plasma experiments as the next frontier for complex plasma research.

  19. Steady-state fluctuations of a genetic feedback loop: An exact solution

    NASA Astrophysics Data System (ADS)

    Grima, R.; Schmidt, D. R.; Newman, T. J.

    2012-07-01

    Genetic feedback loops in cells break detailed balance and involve bimolecular reactions; hence, exact solutions revealing the nature of the stochastic fluctuations in these loops are lacking. We here consider the master equation for a gene regulatory feedback loop: a gene produces protein which then binds to the promoter of the same gene and regulates its expression. The protein degrades in its free and bound forms. This network breaks detailed balance and involves a single bimolecular reaction step. We provide an exact solution of the steady-state master equation for arbitrary values of the parameters, and present simplified solutions for a number of special cases. The full parametric dependence of the analytical non-equilibrium steady-state probability distribution is verified by direct numerical solution of the master equations. For the case where the degradation rate of bound and free protein is the same, our solution is at variance with a previous claim of an exact solution [J. E. M. Hornos, D. Schultz, G. C. P. Innocentini, J. Wang, A. M. Walczak, J. N. Onuchic, and P. G. Wolynes, Phys. Rev. E 72, 051907 (2005), 10.1103/PhysRevE.72.051907, and subsequent studies]. We show explicitly that this is due to an unphysical formulation of the underlying master equation in those studies.

  20. Coherent states and nonlinear dynamics of the three state quasi-spin model with soliton solutions

    NASA Astrophysics Data System (ADS)

    Agüero, M.; Alvarado, R.; Frias, M.

    1998-11-01

    In this paper the generalized coherent states defined as points of the coset space {SU(2)}/{U(1)} are used as trial wave functions in order to study the quasi-spin model of the nonlinear ϕ6-theory. In the simple version of the quasi-classical theory deduced from this method a complete integrable system is obtained. In a general context, the ground state and linear spectrum of the nonlinear lattice equation were evaluated. Finally, by analyzing the effective potential, the first and second order phase transitions are shown to exist.

  1. Solution-phase laser processing of π-conjugated polymers: Switching between different molecular states

    NASA Astrophysics Data System (ADS)

    Takada, K.; Tomioka, A.

    2012-04-01

    Liquid-phase laser processing, where the laser-irradiated target material is immersed in water for cooling, has been reported as a promising processing technique for thermally fragile organic materials. Although nanometer-sized particles have been reported to be obtained with the liquid-phase laser processing, the physical property did not change because quantum-mechanical size effect does not exhibit itself in the zero-radius Frenkel excitons. In the present study, we step further to use solution droplets as a target material, where organic molecules are molecularly dispersed in organic solvent and, therefore, expected to easily alter the conformation and the energy state upon laser irradiation. Small volume organic solvent is quickly evaporated upon laser irradiation, letting the bare organic molecule placed in water and rapidly cooled. To prevent the chemical decomposition of the target π-conjugated molecule, the specimen was resonantly irradiated by a ns-pulse green laser, not by a conventional UV laser. When the solid state spin-coat film made from MEH-PPV chloroform solution was used as a irradiation target immersed in water, resulting MEH-PPV particles showed similar photoluminescence (PL) like the PL of the spin-coat film and PL of the chloroform solution, including the 0→1, 0→2 vibrational transitions: this indicates that the energy levels were not modified from the spin-coat film. In comparison, when tiny droplets of MEH-PPV chloroform solution (orange color) were suspended in water, laser irradiation gave rise to yellow MEH-PPV particles which showed 550 nm and 530 nm PL (type B), blue-shifted from the spin-coat film PL 580 nm (type A), suggesting a successful phase transition of MEH-PPV polymer to type B. Further solution-phase laser processing left the type B state unchanged. The irreversible phase transition from type A to type B suggests that the type B ground state has lower energy than type A, which is consistent with the blue-shifted PL of

  2. State-space solutions to standard H2 and H(infinity) control problems

    NASA Technical Reports Server (NTRS)

    Doyle, John C.; Glover, Keith; Khargonekar, Pramod P.; Francis, Bruce A.

    1989-01-01

    Simple state-space formulas are derived for all controllers solving the standard H(infinity) problem of finding, for a given number gamma greater than 0, all controllers such that the H(infinity) norm of the closed-loop transfer function is (strictly) less than gamma. It is known that a controller exists if and only if the unique stabilizing solutions to two algebraic Riccati equations are positive definite and the spectral radius of their product is less than gamma squared. Under these conditions, a parameterization of all controllers solving the problem is given as a linear fractional transformation (LFT) on a contractive stable free parameter. The state dimension of the coefficient matrix for the LFT, constructed using the two Riccati solutions, equals that of the plant and has a separation structure reminiscent of classical LQG (i.e., H2) theory. A standard H2 solution is developed in parallel.

  3. Iron salts in solid state and in frozen solutions as dosimeters for low irradiation temperatures.

    PubMed

    Martínez, T; Lartigue, J; Ramos-Bernal, S; Ramos, A; Mosqueira, G F; Negrón-Mendoza, A

    2005-01-01

    The aim of this work is to study the irradiation of iron salts in solid state (heptahydrated ferrous sulfate) and in frozen acid solutions. The study is focused on finding their possible use as dosimeters for low temperature irradiations and high doses. The analysis of the samples was made by UV-visible and Mössbauer spectroscopies. The output signal was linear from 0 to 10 MGy for the solid samples, and 0-600 Gy for the frozen solutions. The obtained data is reproducible and easy to handle. For these reasons, heptahydrate iron sulfate is a suitable dosimeter for low temperature and high irradiation doses, in solid state, and in frozen solution. PMID:15985374

  4. αB-Crystallin. A Hybrid Solid-State/Solution-State NMR Investigation Reveals Structural Aspects of the Heterogeneous Oligomer

    SciTech Connect

    Jehle, Stefan; van Rossum, Barth; Stout, Joseph R.; Noguchi, Satoshi M.; Falber, Katja; Rehbein, Kristina; Oschkinat, Hartmut; Klevit, Rachel E.; Rajagopal, Ponni

    2008-11-14

    Atomic-level structural information on αB-Crystallin (αB), a prominent member of the small heat-shock protein family, has been a challenge to obtain due its polydisperse oligomeric nature. We show that magic-angle spinning solid-state NMR can be used to obtain high-resolution information on an ~580-kDa human αB assembled from 175-residue 20-kDa subunits. An ~100-residue α-crystallin domain is common to all small heat-shock proteins, and solution-state NMR was performed on two different α- crystallin domain constructs isolated from αB. In vitro, the chaperone-like activities of full-length αB and the isolated α-crystallin domain are identical. Chemical shifts of the backbone and Cβ resonances have been obtained for residues 64–162 (α-crystallin domain plus part of the C-terminus) in αB and the isolated α-crystallin domain by solid-state and solution-state NMR, respectively. Both sets of data strongly predict six β-strands in the α-crystallin domain. A majority of residues in the α-crystallin domain have similar chemical shifts in both solid-state and solution-state, indicating similar structures for the domain in its isolated and oligomeric forms. Sites of intersubunit interaction are identified from chemical shift differences that cluster to specific regions of the α-crystallin domain. Multiple signals are observed for the resonances of M68 in the oligomer, identifying the region containing this residue as existing in heterogeneous environments within αB. Evidence for a novel dimerization motif in the human α-crystallin domain is obtained by a comparison of (i) solid-state and solution-state chemical shift data and (ii) 1H–15N heteronuclear single quantum coherence spectra as a function of pH. The isolated α-crystallin domain undergoes a dimer–monomer transition over the pH range 7.5–6.8. This steep pHdependent switch may be important for αB to function optimally (e.g., to preserve the filament integrity

  5. Existence and uniqueness of steady state solutions of a nonlocal diffusive logistic equation

    NASA Astrophysics Data System (ADS)

    Sun, Linan; Shi, Junping; Wang, Yuwen

    2013-08-01

    In this paper, we consider a dynamical model of population biology which is of the classical Fisher type, but the competition interaction between individuals is nonlocal. The existence, uniqueness, and stability of the steady state solution of the nonlocal problem on a bounded interval with homogeneous Dirichlet boundary conditions are studied.

  6. Investigation of the oxidation states of Pu isotopes in a hydrochloric acid solution.

    PubMed

    Lee, M H; Kim, J Y; Kim, W H; Jung, E C; Jee, K Y

    2008-12-01

    The characteristics of the oxidation states of Pu in a hydrochloric acid solution were investigated and the results were applied to a separating of Pu isotopes from IAEA reference soils. The oxidation states of Pu(III) and Pu(IV) were prepared by adding hydroxylamine hydrochloride and sodium nitrite to a Pu stock solution, respectively. Also, the oxidation state of Pu(VI) was adjusted with concentrated HNO(3) and HClO(4). The stability of the various oxidation states of plutonium in a HCl solution with elapsed time after preparation were found to be in the following order: Pu(III) approximately Pu(VI)>Pu(IV)>Pu(V). The chemical recoveries of Pu(IV) in a 9M HCl solution with an anion exchange resin were similar to those of Pu(VI). This method for the determination of Pu isotopes with an anion exchange resin in a 9M HCl medium was applied to IAEA reference soils where the activity concentrations of (239,240)Pu and (238)Pu in IAEA-375 and IAEA-326 were consistent with the reference values reported by the IAEA. PMID:18674920

  7. USING HIGH-RESOLUTION SOLUTION-STATE NMR SPECTROSCOPY TO INVESTIGATE PMDI REACTIONS WITH WOOD

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Solution-state NMR spectroscopy provides a powerful tool for understanding the formation of chemical bonds between wood components and adhesives. Finely ground cell wall (CW) material fully dissolves in a solvent system containing dimethylsulfoxide (DMSO-d6) and N-methyl¬imidazole (NMI-d6), keeping ...

  8. Stationary Plasma Thruster Plume Emissions

    NASA Technical Reports Server (NTRS)

    Manzella, David H.

    1994-01-01

    The emission spectrum from a xenon plasma produced by a Stationary Plasma Thruster provided by the Ballistic Missile Defense Organization (BMDO) was measured. Approximately 270 individual Xe I, Xe II, and XE III transitions were identified. A total of 250 mW of radiated optical emission was estimated from measurements taken at the thruster exit plane. There was no evidence of erosion products in the emission signature. Ingestion and ionization of background gas at elevated background pressure was detected. The distribution of excited states could be described by temperatures ranging from fractions of 1 eV to 4 eV with a high degree of uncertainty due to the nonequilibrium nature of this plasma. The plasma was over 95 percent ionized at the thruster exit plane. Between 10 and 20 percent of the ions were doubly charged. Two modes of operation were identified. The intensity of plasma emission increased by a factor of two during operation in an oscillatory mode. The transfer between the two modes of operation was likely related to unidentified phenomena occurring on a time scale of minutes.

  9. Cosmic censorship and stationary states of half-spin particles in the field of Reissner-Nordström naked singularity

    NASA Astrophysics Data System (ADS)

    Gorbatenko, M. V.; Neznamov, V. P.; Popov, E. Yu; Safronov, I. I.

    2016-02-01

    The paper explores quantum mechanics of half-spin particle motion in the field of Reissner-Nordström (RN) naked singularity. It is shown that for any quantum mechanical Dirac particle, irrespective of availability and sign of its electrical charge, the RN naked singularity is separated by an infinitely high positive potential barrier. With like charges of a particle and the source of the RN naked singularity, near the origin there exists the second completely impenetrable potential barrier. It has been proved that in the field of the RN naked singularity, bound states of half-spin particles can exist. The conditions for appearance of such states were revealed and computations were performed to find energy eigenvalues and eigenfunctions.

  10. A fluorescent chemosensor for Zn(II). Exciplex formation in solution and the solid state.

    PubMed

    Bencini, Andrea; Berni, Emanuela; Bianchi, Antonio; Fornasari, Patrizia; Giorgi, Claudia; Lima, Joao C; Lodeiro, Carlos; Melo, Maria J; de Melo, J Seixas; Parola, Antonio Jorge; Pina, Fernando; Pina, Joao; Valtancoli, Barbara

    2004-07-21

    The macrocyclic phenanthrolinophane 2,9-[2,5,8-triaza-5-(N-anthracene-9-methylamino)ethyl]-[9]-1,10-phenanthrolinophane (L) bearing a pendant arm containing a coordinating amine and an anthracene group forms stable complexes with Zn(II), Cd(II) and Hg(II) in solution. Stability constants of these complexes were determined in 0.10 mol dm(-3) NMe(4)Cl H(2)O-MeCN (1:1, v/v) solution at 298.1 +/- 0.1 K by means of potentiometric (pH metric) titration. The fluorescence emission properties of these complexes were studied in this solvent. For the Zn(II) complex, steady-state and time-resolved fluorescence studies were performed in ethanol solution and in the solid state. In solution, intramolecular pi-stacking interaction between phenanthroline and anthracene in the ground state and exciplex emission in the excited state were observed. From the temperature dependence of the photostationary ratio (I(Exc)/I(M)), the activation energy for the exciplex formation (E(a)) and the binding energy of the exciplex (-DeltaH) were determined. The crystal structure of the [ZnLBr](ClO(4)).H(2)O compound was resolved, showing that in the solid state both intra- and inter-molecular pi-stacking interactions are present. Such interactions were also evidenced by UV-vis absorption and emission spectra in the solid state. The absorption spectrum of a thin film of the solid complex is red-shifted compared with the solution spectra, whereas its emission spectrum reveals the unique featureless exciplex band, blue shifted compared with the solution. In conjunction with X-ray data the solid-state data was interpreted as being due to a new exciplex where no pi-stacking (full overlap of the pi-electron cloud of the two chromophores - anthracene and phenanthroline) is observed. L is a fluorescent chemosensor able to signal Zn(II) in presence of Cd(II) and Hg(II), since the last two metal ions do not give rise either to the formation of pi-stacking complexes or to exciplex emission in solution. PMID

  11. Higher order stationary subspace analysis

    NASA Astrophysics Data System (ADS)

    Panknin, Danny; von Bünau, Paul; Kawanabe, Motoaki; Meinecke, Frank C.; Müller, Klaus-Robert

    2016-03-01

    Non-stationarity in data is an ubiquitous problem in signal processing. The recent stationary subspace analysis procedure (SSA) has enabled to decompose such data into a stationary subspace and a non-stationary part respectively. Algorithmically only weak non- stationarities could be tackled by SSA. The present paper takes the conceptual step generalizing from the use of first and second moments as in SSA to higher order moments, thus defining the proposed higher order stationary subspace analysis procedure (HOSSA). The paper derives the novel procedure and shows simulations. An obvious trade-off between the necessity of estimating higher moments and the accuracy and robustness with which they can be estimated is observed. In an ideal setting of plenty of data where higher moment information is dominating our novel approach can win against standard SSA. However, with limited data, even though higher moments actually dominate the underlying data, still SSA may arrive on par.

  12. The stationary source compliance audit program

    SciTech Connect

    Autry, L.P.

    1999-07-01

    On November 15, 1990, the Clean Air Act (CAA) was amended and a list of 189 compounds that are considered to be Hazardous Air Pollutants (HAPs) was included. These pollutants are to be regulated through the development of Toxics Methods, which include Maximum Achievable Control Technology (MACT) Standards, and New Source Performance Standards (NSPS). In support of these Federal regulations, audit materials are developed, validated, and provided to State and local agencies to ensure high quality source emissions compliance data. These performance evaluation samples have traditionally been requested from the Stationary Source Compliance Test Coordinator of the Environmental Protection Agencies (EPA's) National Exposure Research Laboratory (NERL) by the regulatory agency for who the compliance test is being conducted. As of January 1, 1998, the Stationary Source Compliance Audit Program (SSCAP) was taken over by the EPA's Emission Measurement Center (EMC) and many changes instituted. These modifications to the program provide a more effective and efficient way to implement the performance evaluations.

  13. Generalized stationary phase approximations for mountain waves

    NASA Astrophysics Data System (ADS)

    Knight, H.; Broutman, D.; Eckermann, S. D.

    2016-04-01

    Large altitude asymptotic approximations are derived for vertical displacements due to mountain waves generated by hydrostatic wind flow over arbitrary topography. This leads to new asymptotic analytic expressions for wave-induced vertical displacement for mountains with an elliptical Gaussian shape and with the major axis oriented at any angle relative to the background wind. The motivation is to understand local maxima in vertical displacement amplitude at a given height for elliptical mountains aligned at oblique angles to the wind direction, as identified in Eckermann et al. ["Effects of horizontal geometrical spreading on the parameterization of orographic gravity-wave drag. Part 1: Numerical transform solutions," J. Atmos. Sci. 72, 2330-2347 (2015)]. The standard stationary phase method reproduces one type of local amplitude maximum that migrates downwind with increasing altitude. Another type of local amplitude maximum stays close to the vertical axis over the center of the mountain, and a new generalized stationary phase method is developed to describe this other type of local amplitude maximum and the horizontal variation of wave-induced vertical displacement near the vertical axis of the mountain in the large altitude limit. The new generalized stationary phase method describes the asymptotic behavior of integrals where the asymptotic parameter is raised to two different powers (1/2 and 1) rather than just one power as in the standard stationary phase method. The vertical displacement formulas are initially derived assuming a uniform background wind but are extended to accommodate both vertical shear with a fixed wind direction and vertical variations in the buoyancy frequency.

  14. Combining solid-state and solution-state 31P NMR to study in vivo phosphorus metabolism.

    PubMed Central

    Cholli, A L; Yamane, T; Jelinski, L W

    1985-01-01

    Otherwise unavailable information concerning the distribution of phosphorylated compounds in biological systems is obtained by a combined solid-state/solution-state NMR approach, illustrated here for oocytes from Rana pipiens. General methodology is developed, and further extensions are proposed. The following conclusions pertain to the specific system under examination. (i) Nucleoside phosphates can be observed by magic-angle sample spinning of the lyophilized material. (ii) The solid-state NMR technique of dipolar decoupling provides no additional resolution of the phospholipid and phosphoprotein components of the yolk. However, cellular death produces sufficient pH changes to cause the phospholipid and protein phosphate peaks to become resolvable. The concentration of nucleoside phosphates also decreases. (iii) The phospholipid and phosphoprotein components are shown by computer simulation to be present in a ratio of 40:60, respectively. (iv) The amounts of inorganic phosphate, nucleoside phosphates, and sugar phosphates are determined by solution-state NMR observation of the perchloric acid extract of the oocytes. PMID:3871524

  15. Air Pollution and Preterm Birth in the U.S. State of Georgia (2002–2006): Associations with Concentrations of 11 Ambient Air Pollutants Estimated by Combining Community Multiscale Air Quality Model (CMAQ) Simulations with Stationary Monitor Measurements

    PubMed Central

    Hao, Hua; Chang, Howard H.; Holmes, Heather A.; Mulholland, James A.; Klein, Mitch; Darrow, Lyndsey A.; Strickland, Matthew J.

    2015-01-01

    Background: Previous epidemiologic studies suggest associations between preterm birth and ambient air pollution. Objective: We investigated associations between 11 ambient air pollutants, estimated by combining Community Multiscale Air Quality model (CMAQ) simulations with measurements from stationary monitors, and risk of preterm birth (< 37 weeks of gestation) in the U.S. state of Georgia. Methods: Birth records for singleton births ≥ 27 weeks of gestation with complete covariate information and estimated dates of conception between 1 January 2002 and 28 February 2006 were obtained from the Office of Health Indicators for Planning, Georgia Department of Public Health (n = 511,658 births). Daily pollutant concentrations at 12-km resolution were estimated for 11 ambient air pollutants. We used logistic regression with county-level fixed effects to estimate associations between preterm birth and average pollutant concentrations during the first and second trimester. Discrete-time survival models were used to estimate third-trimester and total pregnancy associations. Effect modification was investigated by maternal education, race, census tract poverty level, and county-level urbanicity. Results: Trimester-specific and total pregnancy associations (p < 0.05) were observed for several pollutants. All the traffic-related pollutants (carbon monoxide, nitrogen dioxide, PM2.5 elemental carbon) were associated with preterm birth [e.g., odds ratios for interquartile range increases in carbon monoxide during the first, second, and third trimesters and total pregnancy were 1.005 (95% CI: 1.001, 1.009), 1.007 (95% CI: 1.002, 1.011), 1.010 (95% CI: 1.006, 1.014), and 1.011 (95% CI: 1.006, 1.017)]. Associations tended to be higher for mothers with low educational attainment and African American mothers. Conclusion: Several ambient air pollutants were associated with preterm birth; associations were observed in all exposure windows. Citation: Hao H, Chang HH, Holmes HA

  16. On the steady-state solutions of a nonlinear photonic lattice model

    NASA Astrophysics Data System (ADS)

    Liu, Chungen; Ren, Qiang

    2015-03-01

    In this paper, we consider the steady-state solutions of the following equation related with nonlinear photonic lattice model Δ u = /P u 1 + |u|2 + |v|2 + λ u , Δ v = /Q v 1 + |u|2 + |v|2 + λ v , where u, v are real-value function defined on R/(τ1Z) × R/(τ2Z). The existence and non-existence of non-constant semi-trivial (with only one component zero) solutions are considered.

  17. On the steady-state solutions of a nonlinear photonic lattice model

    SciTech Connect

    Liu, Chungen E-mail: tjftp@mail.nankai.edu.cn; Ren, Qiang E-mail: tjftp@mail.nankai.edu.cn

    2015-03-15

    In this paper, we consider the steady-state solutions of the following equation related with nonlinear photonic lattice model Δu=(Pu)/(1+|u|{sup 2}+|v|{sup 2}) +λu, Δv=(Qv)/(1+|u|{sup 2}+|v|{sup 2}) +λv, where u, v are real-value function defined on R/(τ{sub 1}Z) × R/(τ{sub 2}Z). The existence and non-existence of non-constant semi-trivial (with only one component zero) solutions are considered.

  18. A multi-level solution algorithm for steady-state Markov chains

    NASA Technical Reports Server (NTRS)

    Horton, Graham; Leutenegger, Scott T.

    1993-01-01

    A new iterative algorithm, the multi-level algorithm, for the numerical solution of steady state Markov chains is presented. The method utilizes a set of recursively coarsened representations of the original system to achieve accelerated convergence. It is motivated by multigrid methods, which are widely used for fast solution of partial differential equations. Initial results of numerical experiments are reported, showing significant reductions in computation time, often an order of magnitude or more, relative to the Gauss-Seidel and optimal SOR algorithms for a variety of test problems. The multi-level method is compared and contrasted with the iterative aggregation-disaggregation algorithm of Takahashi.

  19. Numerical solution of a coupled pair of elliptic equations from solid state electronics

    NASA Technical Reports Server (NTRS)

    Phillips, T. N.

    1984-01-01

    Iterative methods are considered for the solution of a coupled pair of second order elliptic partial differential equations which arise in the field of solid state electronics. A finite difference scheme is used which retains the conservative form of the differential equations. Numerical solutions are obtained in two ways, by multigrid and dynamic alternating direction implicit methods. Numerical results are presented which show the multigrid method to be an efficient way of solving this problem. Previously announced in STAR as N83-30109

  20. A structural study of the intermolecular interactions of tyramine in the solid state and in solution

    NASA Astrophysics Data System (ADS)

    Quevedo, Rodolfo; Nuñez-Dallos, Nelson; Wurst, Klaus; Duarte-Ruiz, Álvaro

    2012-12-01

    The nature of the interactions between tyramine units was investigated in the solid state and in solution. Crystals of tyramine in its free base form were analyzed by Fourier transform infrared (FT-IR) spectroscopy and single-crystal X-ray diffraction (XRD). The crystal structure shows a linear molecular organization held together by "head-to-tail" intermolecular hydrogen bonds between the amino groups and the phenolic hydroxyl groups. These chains are arranged in double layers that can geometrically favor the formation of templates in solution, which may facilitate macrocyclization reactions to form azacyclophane-type compounds. Computational calculations using the PM6-DH+ method and electrospray ionization mass spectrometry (ESI-HRMS) reveal that the formation of a hydrogen-bonded tyramine dimer is favored in solution.

  1. State space truncation with quantified errors for accurate solutions to discrete Chemical Master Equation

    PubMed Central

    Cao, Youfang; Terebus, Anna; Liang, Jie

    2016-01-01

    The discrete chemical master equation (dCME) provides a general framework for studying stochasticity in mesoscopic reaction networks. Since its direct solution rapidly becomes intractable due to the increasing size of the state space, truncation of the state space is necessary for solving most dCMEs. It is therefore important to assess the consequences of state space truncations so errors can be quantified and minimized. Here we describe a novel method for state space truncation. By partitioning a reaction network into multiple molecular equivalence groups (MEG), we truncate the state space by limiting the total molecular copy numbers in each MEG. We further describe a theoretical framework for analysis of the truncation error in the steady state probability landscape using reflecting boundaries. By aggregating the state space based on the usage of a MEG and constructing an aggregated Markov process, we show that the truncation error of a MEG can be asymptotically bounded by the probability of states on the reflecting boundary of the MEG. Furthermore, truncating states of an arbitrary MEG will not undermine the estimated error of truncating any other MEGs. We then provide an overall error estimate for networks with multiple MEGs. To rapidly determine the appropriate size of an arbitrary MEG, we also introduce an a priori method to estimate the upper bound of its truncation error. This a priori estimate can be rapidly computed from reaction rates of the network, without the need of costly trial solutions of the dCME. As examples, we show results of applying our methods to the four stochastic networks of 1) the birth and death model, 2) the single gene expression model, 3) the genetic toggle switch model, and 4) the phage lambda bistable epigenetic switch model. We demonstrate how truncation errors and steady state probability landscapes can be computed using different sizes of the MEG(s) and how the results validate out theories. Overall, the novel state space

  2. State Space Truncation with Quantified Errors for Accurate Solutions to Discrete Chemical Master Equation.

    PubMed

    Cao, Youfang; Terebus, Anna; Liang, Jie

    2016-04-01

    The discrete chemical master equation (dCME) provides a general framework for studying stochasticity in mesoscopic reaction networks. Since its direct solution rapidly becomes intractable due to the increasing size of the state space, truncation of the state space is necessary for solving most dCMEs. It is therefore important to assess the consequences of state space truncations so errors can be quantified and minimized. Here we describe a novel method for state space truncation. By partitioning a reaction network into multiple molecular equivalence groups (MEGs), we truncate the state space by limiting the total molecular copy numbers in each MEG. We further describe a theoretical framework for analysis of the truncation error in the steady-state probability landscape using reflecting boundaries. By aggregating the state space based on the usage of a MEG and constructing an aggregated Markov process, we show that the truncation error of a MEG can be asymptotically bounded by the probability of states on the reflecting boundary of the MEG. Furthermore, truncating states of an arbitrary MEG will not undermine the estimated error of truncating any other MEGs. We then provide an overall error estimate for networks with multiple MEGs. To rapidly determine the appropriate size of an arbitrary MEG, we also introduce an a priori method to estimate the upper bound of its truncation error. This a priori estimate can be rapidly computed from reaction rates of the network, without the need of costly trial solutions of the dCME. As examples, we show results of applying our methods to the four stochastic networks of (1) the birth and death model, (2) the single gene expression model, (3) the genetic toggle switch model, and (4) the phage lambda bistable epigenetic switch model. We demonstrate how truncation errors and steady-state probability landscapes can be computed using different sizes of the MEG(s) and how the results validate our theories. Overall, the novel state space

  3. Stochastic quasi-steady state approximations for asymptotic solutions of the chemical master equation.

    PubMed

    Alarcón, Tomás

    2014-05-14

    In this paper, we propose two methods to carry out the quasi-steady state approximation in stochastic models of enzyme catalytic regulation, based on WKB asymptotics of the chemical master equation or of the corresponding partial differential equation for the generating function. The first of the methods we propose involves the development of multiscale generalisation of a WKB approximation of the solution of the master equation, where the separation of time scales is made explicit which allows us to apply the quasi-steady state approximation in a straightforward manner. To the lowest order, the multi-scale WKB method provides a quasi-steady state, Gaussian approximation of the probability distribution. The second method is based on the Hamilton-Jacobi representation of the stochastic process where, as predicted by large deviation theory, the solution of the partial differential equation for the corresponding characteristic function is given in terms of an effective action functional. The optimal transition paths between two states are then given by those paths that maximise the effective action. Such paths are the solutions of the Hamilton equations for the Hamiltonian associated to the effective action functional. The quasi-steady state approximation is applied to the Hamilton equations thus providing an approximation to the optimal transition paths and the transition time between two states. Using this approximation we predict that, unlike the mean-field quasi-steady approximation result, the rate of enzyme catalysis depends explicitly on the initial number of enzyme molecules. The accuracy and validity of our approximated results as well as that of our predictions regarding the behaviour of the stochastic enzyme catalytic models are verified by direct simulation of the stochastic model using Gillespie stochastic simulation algorithm. PMID:24832255

  4. Stochastic quasi-steady state approximations for asymptotic solutions of the chemical master equation

    SciTech Connect

    Alarcón, Tomás

    2014-05-14

    In this paper, we propose two methods to carry out the quasi-steady state approximation in stochastic models of enzyme catalytic regulation, based on WKB asymptotics of the chemical master equation or of the corresponding partial differential equation for the generating function. The first of the methods we propose involves the development of multiscale generalisation of a WKB approximation of the solution of the master equation, where the separation of time scales is made explicit which allows us to apply the quasi-steady state approximation in a straightforward manner. To the lowest order, the multi-scale WKB method provides a quasi-steady state, Gaussian approximation of the probability distribution. The second method is based on the Hamilton-Jacobi representation of the stochastic process where, as predicted by large deviation theory, the solution of the partial differential equation for the corresponding characteristic function is given in terms of an effective action functional. The optimal transition paths between two states are then given by those paths that maximise the effective action. Such paths are the solutions of the Hamilton equations for the Hamiltonian associated to the effective action functional. The quasi-steady state approximation is applied to the Hamilton equations thus providing an approximation to the optimal transition paths and the transition time between two states. Using this approximation we predict that, unlike the mean-field quasi-steady approximation result, the rate of enzyme catalysis depends explicitly on the initial number of enzyme molecules. The accuracy and validity of our approximated results as well as that of our predictions regarding the behaviour of the stochastic enzyme catalytic models are verified by direct simulation of the stochastic model using Gillespie stochastic simulation algorithm.

  5. An approximate solution to the stress and deformation states of functionally graded rotating disks

    NASA Astrophysics Data System (ADS)

    Sondhi, Lakshman; Sanyal, Shubhashis; Saha, Kashi Nath; Bhowmick, Shubhankar

    2016-07-01

    The present work employs variational principle to investigate the stress and deformation states and estimate the limit angular speed of functionally graded high-speed rotating annular disks of constant thickness. Assuming a series approximation following Galerkin's principle, the solution of the governing equation is obtained. In the present study, elasticity modulus and density of the disk material are taken as power function of radius with the gradient parameter ranging between 0.0 and 1.0. Results obtained from numerical solutions are validated with benchmark results and are found to be in good agreement. The results are reported in dimensional form and presented graphically. The results provide a substantial insight in understanding the behavior of FGM rotating disks with constant thickness and different gradient parameter. Furthermore, the stress and deformation state of the disk at constant angular speed and limit angular speed is investigated to explain the existence of optimum gradient parameters.

  6. Stationary surgical smoke evacuation systems.

    PubMed

    2001-03-01

    Two types of systems are available for evacuating the surgical smoke created by electrosurgery and laser surgery: portable and stationary surgical smoke evacuation systems. While portable systems dominate the market today, stationary systems are an alternative worth considering--even though they are still in their infancy, with fewer than 90 systems installed to date. Stationary systems represent a major commitment on the part of the healthcare facility. Several system components must be installed as part of the physical plant (for instance, within the walls), making the system a permanent fixture in the surgical suite. Installation of these systems is often carried out during building construction or major renovation--although the systems can be cost-effective even if no renovations are planned. For this Evaluation, we tested three stationary systems. All three are adequate to capture surgical smoke and evacuate it from the operating room. These systems are easy to use, are quietter than their portable counterparts, and require minimal user maintenance. They represent an excellent option for most hospitals actively evacuating surgical smoke. In this article, we discuss the factors to consider when selecting from among these systems. We also offer guidance on choosing between stationary systems and portable ones. PMID:11321758

  7. The Optimal Solution of a Non-Convex State-Dependent LQR Problem and Its Applications

    PubMed Central

    Xu, Xudan; Zhu, J. Jim; Zhang, Ping

    2014-01-01

    This paper studies a Non-convex State-dependent Linear Quadratic Regulator (NSLQR) problem, in which the control penalty weighting matrix in the performance index is state-dependent. A necessary and sufficient condition for the optimal solution is established with a rigorous proof by Euler-Lagrange Equation. It is found that the optimal solution of the NSLQR problem can be obtained by solving a Pseudo-Differential-Riccati-Equation (PDRE) simultaneously with the closed-loop system equation. A Comparison Theorem for the PDRE is given to facilitate solution methods for the PDRE. A linear time-variant system is employed as an example in simulation to verify the proposed optimal solution. As a non-trivial application, a goal pursuit process in psychology is modeled as a NSLQR problem and two typical goal pursuit behaviors found in human and animals are reproduced using different control weighting . It is found that these two behaviors save control energy and cause less stress over Conventional Control Behavior typified by the LQR control with a constant control weighting , in situations where only the goal discrepancy at the terminal time is of concern, such as in Marathon races and target hitting missions. PMID:24747417

  8. Approaches to the solution of coupled multiexponential transient-state rate kinetic equations: A critical review.

    PubMed

    Fisher, Harvey F

    2016-08-01

    The transient-state kinetic approach has failed to reach its full potential despite its advantage over the steady-state approach in its ability to observe mechanistic events directly and in real time. This failure has been due in part to the lack of any rigorously derived and readily applicable body of theory corresponding to that which currently characterizes the steady-state approach. In order to clarify the causes of this discrepancy and to suggest a route to its solution we examine the capabilities and limitations of the various forms of transient-state kinetic approaches to the mathematical resolution of enzymatic reaction mechanisms currently available. We document a lack of validity inherent in their basic assumptions and suggest the need for a potentially more rigorous analytic approach. PMID:27173736

  9. On the efficient and reliable numerical solution of rate-and-state friction problems

    NASA Astrophysics Data System (ADS)

    Pipping, Elias; Kornhuber, Ralf; Rosenau, Matthias; Oncken, Onno

    2016-03-01

    We present a mathematically consistent numerical algorithm for the simulation of earthquake rupture with rate-and-state friction. Its main features are adaptive time stepping, a novel algebraic solution algorithm involving nonlinear multigrid and a fixed point iteration for the rate-and-state decoupling. The algorithm is applied to a laboratory scale subduction zone which allows us to compare our simulations with experimental results. Using physical parameters from the experiment, we find a good fit of recurrence time of slip events as well as their rupture width and peak slip. Computations in 3-D confirm efficiency and robustness of our algorithm.

  10. The solution and solid state stability and excipient compatibility of parthenolide in feverfew.

    PubMed

    Jin, Ping; Madieh, Shadi; Augsburger, Larry L

    2007-01-01

    The objectives of this research were to evaluate the stability of parthenolide in feverfew solution state and powdered feverfew (solid state), and explore the compatibility between commonly used excipients and parthenolide in feverfew. Feverfew extract solution was diluted with different pH buffers to study the solution stability of parthenolide in feverfew. Powdered feverfew extract was stored under 40 degrees C/0% approximately 75% relative humidities (RH) or 31% RH/5~50 degrees C to study the influence of temperature and relative humidity on the stability of parthenolide in feverfew solid state. Binary mixtures of feverfew powered extract and different excipients were stored at 50 degrees C/ 75% RH for excipient compatibility evaluation. The degradation of parthenolide in feverfew solution appears to fit a typical first-order reaction. Parthenolide is comparatively stable when the environmental pH is in the range of 5 to 7, becoming unstable when pH is less than 3 or more than 7. Parthenolide degradation in feverfew in the solid state does not fit any obvious reaction model. Moisture content and temperature both play important roles affecting the degradation rate. After 6 months of storage, parthenolide in feverfew remains constant at 5 degrees C/31% RH. However, approximately 40% parthenolide in feverfew can be degraded if stored at 50 degrees C/31% RH. When the moisture changed from 0% to 75% RH, the degradation of parthenolide in feverfew increased from 18% to 32% after 6-month storage under 40 degrees C. Parthenolide in feverfew exhibits good compatibility with commonly used excipients under stressed conditions in a 3-week screening study. PMID:18181526

  11. Solution-state polymer assemblies influence BCS class II drug dissolution and supersaturation maintenance.

    PubMed

    Dalsin, Molly C; Tale, Swapnil; Reineke, Theresa M

    2014-02-10

    Spray dried dispersions (SDDs), solid dispersions of polymer excipients and active pharmaceuticals, are important to the field of oral drug delivery for improving active stability, bioavailability, and efficacy. Herein, we examine the influence of solution-state polymer assemblies on amorphous spray-dried dispersion (SDD) performance with two BCS II model drugs, phenytoin and probucol. These drugs were spray dried with 4 model polymer excipients consisting of poly(ethylene-alt-propylene) (PEP), N,N,-dimethylacrylamide (DMA), or 2-methacrylamido glucopyranose (MAG): amphiphilic diblock ter- and copolymers, PEP-P(DMA-grad-MAG) and PEP-PDMA, and their respective hydrophilic analogues, P(DMA-grad-MAG) and PDMA. Selective and nonselective solvents for the hydrophilic block of the diblock ter- and copolymers were used to induce or repress solution-state assemblies prior to spray drying. Prespray dried solution-state assemblies of these four polymers were probed with dynamic light scattering (DLS) and showed differences in solution assembly size and structure (free polymer versus aggregates versus micelles). Solid-state structures of spray dried dispersions (SDDs) showed a single glass transition event implying a homogeneous mixture of drug/polymer. Crystallization temperatures and enthalpies indicated that the drugs interact mostly with the DMA-containing portions of the polymers. Scanning electron microscopy was used to determine SDD particle size and morphology for the various polymer-drug pairings. In vitro dissolution tests showed excellent performance for one system, spray-dried PEP-PDMA micelles with probucol. Dissolution structures were investigated through DLS to determine drug-polymer aggregates that lead to enhanced SDD performance. Forced aggregation of the polymer into regular micelle structures was found to be a critical factor to increase the dissolution rate and supersaturation maintenance of SDDs, and may be an attractive platform to exploit in excipient

  12. Positive periodic solutions of periodic neutral Lotka-Volterra system with state dependent delays

    NASA Astrophysics Data System (ADS)

    Li, Yongkun

    2007-06-01

    By using a fixed point theorem of strict-set-contraction, some new criteria are established for the existence of positive periodic solutions of the following periodic neutral Lotka-Volterra system with state dependent delays where (i,j=1,2,...,n) are [omega]-periodic functions and (i=1,2,...,n) are [omega]-periodic functions with respect to their first arguments, respectively.

  13. Analytical Solution of Steady State Equations for Chemical Reaction Networks with Bilinear Rate Laws

    PubMed Central

    Halász, Ádám M.; Lai, Hong-Jian; McCabe, Meghan M.; Radhakrishnan, Krishnan; Edwards, Jeremy S.

    2014-01-01

    True steady states are a rare occurrence in living organisms, yet their knowledge is essential for quasi-steady state approximations, multistability analysis, and other important tools in the investigation of chemical reaction networks (CRN) used to describe molecular processes on the cellular level. Here we present an approach that can provide closed form steady-state solutions to complex systems, resulting from CRN with binary reactions and mass-action rate laws. We map the nonlinear algebraic problem of finding steady states onto a linear problem in a higher dimensional space. We show that the linearized version of the steady state equations obeys the linear conservation laws of the original CRN. We identify two classes of problems for which complete, minimally parameterized solutions may be obtained using only the machinery of linear systems and a judicious choice of the variables used as free parameters. We exemplify our method, providing explicit formulae, on CRN describing signal initiation of two important types of RTK receptor-ligand systems, VEGF and EGF-ErbB1. PMID:24334389

  14. Characters of basic steady state solutions for superfluid Fermi gas in Bessel optical lattices

    NASA Astrophysics Data System (ADS)

    Zhang, Ke-Zhi; Chen, Yan; He, Yong-Lin; Liu, Zheng-Lai

    2015-08-01

    We consider a dynamical model for superfluid Fermi gas, trapped in the central well of an axially symmetric Bessel optical lattice potential. The equation includes nonlinear power-law form of the chemical potential μ(n) = C|ψ|2γ, for γ = 2 3, which accounts for Fermi pressure. Reducing the equation to two-dimensional (2D) form, we obtain the basic steady state solutions of the system along the Bose-Einstein condensation (BEC) side to Bardeen-Cooper-Schrieffer (BCS) side by employing the energy balance condition, which are guided by the variational approximation. It is found that the strength ɛ and the radial scale r of the Bessel optical lattice have an extreme effect on the characters of basic steady state solution. Analytically, we deduce the atomic density distribution, the average atom number and the average energy of basic steady state, where the atom distribution of the system presents on periodic change with r, and increases faster at unitarity than in the BEC limit. Furthermore, because of the Fermi pressure, the atomic density distribution at the unitarity is more extensive than that in the BEC limit. In particular, there exist very interesting changes, the average energy intends to collapse state with r, however it emerges as a stable state with varying L both in the BEC limit and at unitarity.

  15. Transformation of photophysical properties from solution to solid state in alkoxy-cyano-diphenylacetylene molecules.

    PubMed

    Karunakaran, Venugopal; Prabhu, Deepak D; Das, Suresh; Varughese, Sunil

    2015-07-28

    Detailed photophysical properties of cyano and mono (MA)/bis alkoxy (DA) substituted diphenylacetylene moieties with different alkyl chain lengths (methyl (1), octyl (8) and dodecyl (12)) were investigated in solution and the solid state in an effort to determine the effect of self-aggregation on these properties. The solvated molecules showed a minimal bathochromic shift with an increase of solvent polarity in their absorption spectra, whereas a significant shift was observed in the emission spectra. This could be attributed to the relatively low change in dipole moment between ground and Franck-Condon excited states and luminescence arising from the intramolecular charge transfer state with a dipole moment significantly higher than that of the ground state. In solid state the emission quantum yields of these materials were significantly higher than in solution. For DA1, polymorphic materials with distinct photophysical properties were obtained. The DA1 materials obtained by fast precipitation (DA1) showed broad fluorescence with peaks at 398, 467 and 535 nm upon excitation at different wavelengths. Detailed analysis of absorption, emission and excitation spectra and lifetime experiments indicated that these peaks could be attributed to the monomer, J- and H-type aggregates respectively. Whereas the crystals obtained by slow crystallization (DA1C) showed only one emission peak at around 396 nm attributed to the monomer. This is supported by the single crystal X-ray structure which consists of a monomer molecule having minimal interaction with nearest neighbour molecules. PMID:26118371

  16. Stationary versus non-stationary (13)C-MFA: a comparison using a consistent dataset.

    PubMed

    Noack, Stephan; Nöh, Katharina; Moch, Matthias; Oldiges, Marco; Wiechert, Wolfgang

    2011-07-10

    Besides the well-established (13)C-metabolic flux analysis ((13)C-MFA) which characterizes a cell's fluxome in a metabolic and isotopic stationary state a current area of research is isotopically non-stationary MFA. Non-stationary (13)C-MFA uses short-time isotopic transient data instead of long-time isotopic equilibrium data and thus is capable to resolve fluxes within much shorter labeling experiments. However, a comparison of both methods with data from one single experiment has not been made so far. In order to create a consistent database for directly comparing both methods a (13)C-labeling experiment in a fed-batch cultivation with a Corynebacterium glutamicum lysine producer was carried out. During the experiment the substrate glucose was switched from unlabeled to a specifically labeled glucose mixture which was immediately traced by fast sampling and metabolite quenching. The time course of labeling enrichments in intracellular metabolites until isotopic stationarity was monitored by LC-MS/MS. The resulting dataset was evaluated using the classical as well as the isotopic non-stationary MFA approach. The results show that not only the obtained relative data, i.e. intracellular flux distributions, but also the more informative quantitative fluxome data significantly depend on the combination of the measurements and the underlying modeling approach used for data integration. Taking further criteria on the experimental and computational part into consideration, the current limitations of both methods are demonstrated and possible pitfalls are concluded. PMID:20638432

  17. Structural characterization of NaOH aqueous solution in the glass and liquid states

    NASA Astrophysics Data System (ADS)

    Bruni, F.; Ricci, M. A.; Soper, A. K.

    2001-05-01

    Using the technique of hydrogen and deuterium substitution, the structure of water in concentrated NaOH solution (10 M) is explored. It is found that major changes in water structure occur both in the liquid phase at T=300 K and in the glassy phase at T=173 K. In particular the 4.4 Å peak in the OO pair correlation function of pure water, which is normally viewed as indicating tetrahedral short-range coordination in water, is totally absent in the NaOH solution at room temperature, and shows up only as a small feature in the NaOH solution in the glassy state. Corresponding changes occur in the OH and HH correlation functions: The hydrogen bond peak position is shifted from 1.85 Å in pure water to 1.65 Å for both the liquid and glassy NaOH, with a reduced number of hydrogen bonds in the glassy phase. The intramolecular HH distance, 1.5 Å, of the water molecule is unaffected by the presence of the solute, but the positions of the peaks in the HH function at 2.4 and 3.8 Å, due to the orientational correlation between neighboring pure water molecules, are respectively, shifted to 2.15 and 3.5 Å. The above findings indicate that ions in aqueous solutions induce a change in water structure equivalent to the application of high pressures.

  18. Steady-state electrodiffusion. Scaling, exact solution for ions of one charge, and the phase plane.

    PubMed Central

    Leuchtag, H R; Swihart, J C

    1977-01-01

    This is the first of two papers dealing with electrodiffusion theory (the Nernst-Planck equation coupled with Gauss's law) and its application to the current-voltage behavior of squid axon. New developments in the exact analysis of the steady-state electrodiffusion problem presented here include (a) a scale transformation that connects a given solution to an infinity of other solutions, suggesting the po-sibility of direct comparison of electrical data for membranes with different thicknesses and other properties; (b) a first-integral relation between the electric field and ion densities more general than analogous relations previously reported, and (c) an exact solution for the homovalent system, i.e., a membrane system permeated by various ion species of the same charge. The latter is a generalization of the known one-ion solution. The properties of the homovalent solution are investigated analytically and graphically. In particular we study the phase-plane curves, which reduce to the parabolas discussed by K. S. Cole in the special case in which the current-density parameter (a linear combination of the ionic current densities) is zero. PMID:831855

  19. Solution- and Adsorbed-State Structural Ensembles Predicted for the Statherin-Hydroxyapatite System

    PubMed Central

    Masica, David L.; Gray, Jeffrey J.

    2009-01-01

    Abstract We have developed a multiscale structure prediction technique to study solution- and adsorbed-state ensembles of biomineralization proteins. The algorithm employs a Metropolis Monte Carlo-plus-minimization strategy that varies all torsional and rigid-body protein degrees of freedom. We applied the technique to fold statherin, starting from a fully extended peptide chain in solution, in the presence of hydroxyapatite (HAp) (001), (010), and (100) monoclinic crystals. Blind (unbiased) predictions capture experimentally observed macroscopic and high-resolution structural features and show minimal statherin structural change upon adsorption. The dominant structural difference between solution and adsorbed states is an experimentally observed folding event in statherin's helical binding domain. Whereas predicted statherin conformers vary slightly at three different HAp crystal faces, geometric and chemical similarities of the surfaces allow structurally promiscuous binding. Finally, we compare blind predictions with those obtained from simulation biased to satisfy all previously published solid-state NMR (ssNMR) distance and angle measurements (acquired from HAp-adsorbed statherin). Atomic clashes in these structures suggest a plausible, alternative interpretation of some ssNMR measurements as intermolecular rather than intramolecular. This work demonstrates that a combination of ssNMR and structure prediction could effectively determine high-resolution protein structures at biomineral interfaces. PMID:19383454

  20. Wave-Mechanical Properties of Stationary States.

    ERIC Educational Resources Information Center

    Holden, Alan

    This monograph is a review of the quantum mechanical concepts presented in two other monographs, "The Nature of Atoms" and "Bonds Between Atoms," by the same author. It is assumed the reader is familiar with these ideas. The monograph sketches only those aspects of quantum mechanics that are of most direct use in picturing and calculating the…

  1. Global equilibrium and local thermodynamics in stationary spacetimes

    NASA Astrophysics Data System (ADS)

    Panerai, Rodolfo

    2016-05-01

    In stationary spacetimes global equilibrium states can be defined, applying the maximum entropy principle, by the introduction of local thermodynamic fields determined solely by geometry. As an example, we study a class of equilibrium states for a scalar field in Einstein's static universe, characterized by inhomogeneous thermodynamic properties and nonvanishing angular momentum.

  2. Characterization of berkelium(III) dipicolinate and borate compounds in solution and the solid state.

    PubMed

    Silver, Mark A; Cary, Samantha K; Johnson, Jason A; Baumbach, Ryan E; Arico, Alexandra A; Luckey, Morgan; Urban, Matthew; Wang, Jamie C; Polinski, Matthew J; Chemey, Alexander; Liu, Guokui; Chen, Kuan-Wen; Van Cleve, Shelley M; Marsh, Matthew L; Eaton, Teresa M; van de Burgt, Lambertus J; Gray, Ashley L; Hobart, David E; Hanson, Kenneth; Maron, Laurent; Gendron, Frédéric; Autschbach, Jochen; Speldrich, Manfred; Kögerler, Paul; Yang, Ping; Braley, Jenifer; Albrecht-Schmitt, Thomas E

    2016-08-26

    Berkelium is positioned at a crucial location in the actinide series between the inherently stable half-filled 5f(7) configuration of curium and the abrupt transition in chemical behavior created by the onset of a metastable divalent state that starts at californium. However, the mere 320-day half-life of berkelium's only available isotope, (249)Bk, has hindered in-depth studies of the element's coordination chemistry. Herein, we report the synthesis and detailed solid-state and solution-phase characterization of a berkelium coordination complex, Bk(III)tris(dipicolinate), as well as a chemically distinct Bk(III) borate material for comparison. We demonstrate that berkelium's complexation is analogous to that of californium. However, from a range of spectroscopic techniques and quantum mechanical calculations, it is clear that spin-orbit coupling contributes significantly to berkelium's multiconfigurational ground state. PMID:27563098

  3. Steady-state solutions of a diffusive energy-balance climate model and their stability

    NASA Technical Reports Server (NTRS)

    Ghil, M.

    1975-01-01

    A diffusive energy-balance climate model, governed by a nonlinear parabolic partial differential equation, was studied. Three positive steady-state solutions of this equation are found; they correspond to three possible climates of our planet: an interglacial (nearly identical to the present climate), a glacial, and a completely ice-covered earth. Models similar to the main one are considered, and the number of their steady states was determined. All the models have albedo continuously varying with latitude and temperature, and entirely diffusive horizontal heat transfer. The stability under small perturbations of the main model's climates was investigated. A stability criterion is derived, and its application shows that the present climate and the deep freeze are stable, whereas the model's glacial is unstable. The dependence was examined of the number of steady states and of their stability on the average solar radiation.

  4. A modified two-state empirical valence bond model for proton transport in aqueous solutions

    NASA Astrophysics Data System (ADS)

    Mabuchi, Takuya; Fukushima, Akinori; Tokumasu, Takashi

    2015-07-01

    A detailed analysis of the proton solvation structure and transport properties in aqueous solutions is performed using classical molecular dynamics simulations. A refined two-state empirical valence bond (aTS-EVB) method, which is based on the EVB model of Walbran and Kornyshev and the anharmonic water force field, is developed in order to describe efficiently excess proton transport via the Grotthuss mechanism. The new aTS-EVB model clearly satisfies the requirement for simpler and faster calculation, because of the simplicity of the two-state EVB algorithm, while providing a better description of diffusive dynamics of the excess proton and water in comparison with the previous two-state EVB models, which significantly improves agreement with the available experimental data. The results of activation energies for the excess proton and water calculated between 300 and 340 K (the temperature range used in this study) are also found to be in good agreement with the corresponding experimental data.

  5. A modified two-state empirical valence bond model for proton transport in aqueous solutions

    SciTech Connect

    Mabuchi, Takuya; Fukushima, Akinori; Tokumasu, Takashi

    2015-07-07

    A detailed analysis of the proton solvation structure and transport properties in aqueous solutions is performed using classical molecular dynamics simulations. A refined two-state empirical valence bond (aTS-EVB) method, which is based on the EVB model of Walbran and Kornyshev and the anharmonic water force field, is developed in order to describe efficiently excess proton transport via the Grotthuss mechanism. The new aTS-EVB model clearly satisfies the requirement for simpler and faster calculation, because of the simplicity of the two-state EVB algorithm, while providing a better description of diffusive dynamics of the excess proton and water in comparison with the previous two-state EVB models, which significantly improves agreement with the available experimental data. The results of activation energies for the excess proton and water calculated between 300 and 340 K (the temperature range used in this study) are also found to be in good agreement with the corresponding experimental data.

  6. Stability properties of the collective stationary motion of self-propelling particles with conservative kinematic constraints

    NASA Astrophysics Data System (ADS)

    Ratushnaya, V. I.; Bedeaux, D.; Kulinskii, V. L.; Zvelindovsky, A. V.

    2007-03-01

    In our previous papers we proposed a continuum model for the dynamics of the systems of self-propelling particles with conservative kinematic constraints on the velocities. We have determined a class of stationary solutions of this hydrodynamic model and have shown that two types of stationary flow, linear and axially symmetric (vortical) flow, are possible. In this paper we consider the stability properties of these stationary flows. We show, using a linear stability analysis, that the linear solutions are neutrally stable with respect to the imposed velocity and density perturbations. A similar analysis of the stability of the vortical solution is found to be not conclusive.

  7. Unsteady-state transfer of impurities during crystal growth of sucrose in sugarcane solutions

    NASA Astrophysics Data System (ADS)

    Martins, P. M.; Ferreira, A.; Polanco, S.; Rocha, F.; Damas, A. M.; Rein, P.

    2009-07-01

    In this work, we present growth rate data of sucrose crystals in the presence of impurities that can be used by both sugar technologists and crystal growth scientists. Growth rate curves measured in a pilot-scale evaporative crystallizer suggest a period of slow growth that follows the seeding of crystals into supersaturated technical solutions. The observed trend was enhanced by adding typical sugarcane impurities such as starch, fructose or dextran to the industrial syrups. Maximum growth rates of sucrose resulted at intermediate rather than high supersaturation levels in the presence of the additives. The effects of the additives on the sucrose solubility and sucrose mass transfer in solution were taken into account to explain the observed crystal growth kinetics. A novel mechanism was identified of unsteady-state adsorption of impurities at the crystal surface and their gradual replacement by the crystallizing solute towards the equilibrium occupation of the active sites for growth. Specifically designed crystallization experiments at controlled supersaturation confirmed this mechanism by showing increasing crystal growth rates with time until reaching a steady-state value for a given supersaturation level and impurity content.

  8. The finite state projection algorithm for the solution of the chemical master equation.

    PubMed

    Munsky, Brian; Khammash, Mustafa

    2006-01-28

    This article introduces the finite state projection (FSP) method for use in the stochastic analysis of chemically reacting systems. One can describe the chemical populations of such systems with probability density vectors that evolve according to a set of linear ordinary differential equations known as the chemical master equation (CME). Unlike Monte Carlo methods such as the stochastic simulation algorithm (SSA) or tau leaping, the FSP directly solves or approximates the solution of the CME. If the CME describes a system that has a finite number of distinct population vectors, the FSP method provides an exact analytical solution. When an infinite or extremely large number of population variations is possible, the state space can be truncated, and the FSP method provides a certificate of accuracy for how closely the truncated space approximation matches the true solution. The proposed FSP algorithm systematically increases the projection space in order to meet prespecified tolerance in the total probability density error. For any system in which a sufficiently accurate FSP exists, the FSP algorithm is shown to converge in a finite number of steps. The FSP is utilized to solve two examples taken from the field of systems biology, and comparisons are made between the FSP, the SSA, and tau leaping algorithms. In both examples, the FSP outperforms the SSA in terms of accuracy as well as computational efficiency. Furthermore, due to very small molecular counts in these particular examples, the FSP also performs far more effectively than tau leaping methods. PMID:16460146

  9. Hydrogen bonding and solution state structure of salicylaldehyde-4-phenylthiosemicarbazone: A combined experimental and theoretical study

    NASA Astrophysics Data System (ADS)

    Novak, Predrag; Pičuljan, Katarina; Hrenar, Tomica; Biljan, Tomislav; Meić, Zlatko

    2009-02-01

    Hydrogen bonding in salicylaldehyde-4-phenylthiosemicarbazone ( 1) has been studied by using experimental (NMR, Raman and UV spectroscopies) and quantum chemical (DFT) methods. It has been demonstrated that 1 adopted the hydroxy-thione tautomeric form in solution as found also in the solid state and previously indicated by secondary deuterium isotope effects. Apart from the intra-molecular hydrogen bonds new interactions between 1 and solvent molecules were formed as well. Changes in NMR chemical shifts and calculations have pointed towards a formation of inter-molecular three-centered hydrogen bonds in each of the studied complexes involving OH and NH groups of 1 and associated solvent molecules. Stabilization energies of intra-molecular hydrogen bonds were found to decrease with the increase of the solvent polarity. Two-dimensional NOESY spectra indicated conformational changes in solution with respect to the structure observed in the solid state. These were accounted for by a relatively low barrier of the rotation of the N sbnd N single bond thus enabling a molecule to posses a higher conformational flexibility in solution with portions of skewed conformations. The results presented here can help in a better understanding of the role hydrogen bonds can play in bioactivity of related thiosemicarbazone derivatives and their metal complexes.

  10. Hydrodynamics of steady state phloem transport with radial leakage of solute

    PubMed Central

    Cabrita, Paulo; Thorpe, Michael; Huber, Gregor

    2013-01-01

    Long-distance phloem transport occurs under a pressure gradient generated by the osmotic exchange of water associated with solute exchange in source and sink regions. But these exchanges also occur along the pathway, and yet their physiological role has almost been ignored in mathematical models of phloem transport. Here we present a steady state model for transport phloem which allows solute leakage, based on the Navier-Stokes and convection-diffusion equations which describe fluid motion rigorously. Sieve tube membrane permeability Ps for passive solute exchange (and correspondingly, membrane reflection coefficient) influenced model results strongly, and had to lie in the bottom range of the values reported for plant cells for the results to be realistic. This smaller permeability reflects the efficient specialization of sieve tube elements, minimizing any diffusive solute loss favored by the large concentration difference across the sieve tube membrane. We also found there can be a specific reflection coefficient for which pressure profiles and sap velocities can both be similar to those predicted by the Hagen-Poiseuille equation for a completely impermeable tube. PMID:24409189