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Sample records for stationary state solutions

  1. 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.

  2. The influence of Kapitza resistance on the establishment of stationary non-equilibrium states in superfluid 3He-4He solutions

    NASA Astrophysics Data System (ADS)

    Vihtinskaya, T. G.; Nemchenko, K. E.; Rogova, S. Yu.

    2016-08-01

    We examine the establishment of stationary non-equilibrium states when a flow of heat is turned on in superfluid solutions with a sufficiently high (9.8%) concentration of 3He. We study the influence of possible relaxation mechanisms, focusing on the Kapitza jump in particular, on the process of establishing a constant temperature gradient. We found the thermal diffusivity, thermal conductivity and the Kapitza coefficients by comparing the theoretical calculations against experimental data. It is shown that it is necessary to include the Kapitza jump in order to perform a quantitative description of the experimental data.

  3. On Stationary States in the Double Phosphorylation-dephosphorylation Cycle

    NASA Astrophysics Data System (ADS)

    Bersani, Alberto Maria; Dell'Acqua, Guido; Tomassetti, Giovanna

    2011-09-01

    In this paper we study the double phosphorylation-dephosphorylation cycle, which is a special case of multiple futile cycle. We study the stationary states, finding some classes of explicit solutions.

  4. 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.

  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."

  6. 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."

  7. Self-Organized Stationary States of Tokamaks

    DOE PAGESBeta

    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”.

  8. 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.

  9. Chaotic Bohmian trajectories for stationary states

    NASA Astrophysics Data System (ADS)

    Cesa, Alexandre; Martin, John; Struyve, Ward

    2016-09-01

    In Bohmian mechanics, the nodes of the wave function play an important role in the generation of chaos. However, so far, most of the attention has been on moving nodes; little is known about the possibility of chaos in the case of stationary nodes. We address this question by considering stationary states, which provide the simplest examples of wave functions with stationary nodes. We provide examples of stationary wave functions for which there is chaos, as demonstrated by numerical computations, for one particle moving in three spatial dimensions and for two and three entangled particles in two dimensions. Our conclusion is that the motion of the nodes is not necessary for the generation of chaos. What is important is the overall complexity of the wave function. That is, if the wave function, or rather its phase, has a complex spatial variation, it will lead to complex Bohmian trajectories and hence to chaos. Another aspect of our work concerns the average Lyapunov exponent, which quantifies the overall amount of chaos. Since it is very hard to evaluate the average Lyapunov exponent analytically, which is often computed numerically, it is useful to have simple quantities that agree well with the average Lyapunov exponent. We investigate possible correlations with quantities such as the participation ratio and different measures of entanglement, for different systems and different families of stationary wave functions. We find that these quantities often tend to correlate to the amount of chaos. However, the correlation is not perfect, because, in particular, these measures do not depend on the form of the basis states used to expand the wave function, while the amount of chaos does.

  10. 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.

  11. 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.

  12. 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

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. On Chorin's Method for Stationary Solutions of the Oberbeck-Boussinesq Equation

    NASA Astrophysics Data System (ADS)

    Kagei, Yoshiyuki; Nishida, Takaaki

    2016-08-01

    Stability of stationary solutions of the Oberbeck-Boussinesq system (OB) and the corresponding artificial compressible system is considered. The latter system is obtained by adding the time derivative of the pressure with small parameter {ɛ > 0} to the continuity equation of (OB), which was proposed by A. Chorin to find stationary solutions of (OB) numerically. Both systems have the same sets of stationary solutions and the system (OB) is obtained from the artificial compressible one as the limit {ɛ to 0} which is a singular limit. It is proved that if a stationary solution of the artificial compressible system is stable for sufficiently small {ɛ > 0} , then it is also stable as a solution of (OB). The converse is proved provided that the velocity field of the stationary solution satisfies some smallness condition.

  19. 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.

  20. 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.

  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. Uniqueness theorem for stationary black hole solutions of {sigma}-models in five dimensions

    SciTech Connect

    Rogatko, Marek

    2004-10-15

    I prove the uniqueness theorem for stationary self-gravitating nonlinear {sigma}-models in five-dimensional spacetime. I show that the Myers-Perry vacuum Kerr spacetime is the only maximally extended, stationary, axisymmetric asymptotically flat solution having the regular rotating event horizon with a constant mapping.

  3. Stationary states in nonlocal type dynamics of composite systems

    NASA Astrophysics Data System (ADS)

    Sowa, Artur

    2009-12-01

    We consider a model for nonlocal type dynamics of composite quantum systems. It is based on the equation -iħK˙=KH+HˆK+βKf(K∗K), describing the time evolution of an operator variable K. Here H and Hˆ are fixed self-adjoint and possibly unbounded operators (subsystem Hamiltonians), z→f(z) is an analytic function, assuming real values for a real argument, and β is a real parameter. This article focuses on the problem of characterization of stationary solutions, i.e. solutions that assume the special form K(t)=eK0 with K0 satisfying K0H+HˆK0+βK0f(K0∗K0)=νK0. The main result is a characterization of stationary solutions subject to certain technical assumptions. In particular, we assume that the Hamiltonians have pure-point spectrum. In addition, the solutions are a priori assumed to be compact operators.

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

    NASA Astrophysics Data System (ADS)

    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.

  5. 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.

  6. Stationary solutions of Gross-Pitaevskii equations in a double square well

    SciTech Connect

    Li Weidong

    2006-12-15

    We present analytical stationary solutions for the Gross-Pitaevskii equation (GPE) of a Bose-Einstein condensate (BECs) trapped in a double-well potential. These solutions are compared to those described by [Mahmud et al., Phys. Rev. A 66, 063607 (2002)]. In particular, we provide further evidence that symmetry preserving stationary solutions can be reduced to the eigenstates of the corresponding linear Schroedinger equation. Moreover, we have found that the symmetry-breaking solutions can emerge not only from bifurcations, but also from isolated points in the chemical potential-nonlinear interaction diagram. We also have found that there are some moving nodes in the symmetry-breaking solutions.

  7. Three-dimensional stationary cyclic symmetric Einstein-Maxwell solutions; black holes

    NASA Astrophysics Data System (ADS)

    García, Alberto A.

    2009-09-01

    From a general metric for stationary cyclic symmetric gravitational fields coupled to Maxwell electromagnetic fields within the (2 + 1)-dimensional gravity the uniqueness of wide families of exact solutions is established. Among them, all uniform electromagnetic solutions possessing electromagnetic fields with vanishing covariant derivatives, all fields having constant electromagnetic invariants FF and TT, the whole classes of hybrid electromagnetic solutions, and also wide classes of stationary solutions are derived for a third-order nonlinear key equation. Certain of these families can be thought of as black hole solutions. For the most general set of Einstein-Maxwell equations, reducible to three nonlinear equations for the three unknown functions, two new classes of solutions - having anti-de Sitter spinning metric limit - are derived. The relationship of various families with those reported by different authors’ solutions has been established. Among the classes of solutions with cosmological constant a relevant place is occupied by the electrostatic and magnetostatic Peldan solutions, the stationary uniform and spinning Clement classes, the constant electromagnetic invariant branches with the particular Kamata-Koikawa solution, the hybrid cyclic symmetric stationary black hole fields, and the non-less important solutions generated via SL(2,R)-transformations where the Clement spinning charged solution, the Martinez-Teitelboim-Zanelli black hole solution, and Dias-Lemos metric merit mention.

  8. Stationary states and spatial patterning in an SIS epidemiology model with implicit mobility

    NASA Astrophysics Data System (ADS)

    Ilnytskyi, Jaroslav; Kozitsky, Yuri; Ilnytskyi, Hryhoriy; Haiduchok, Olena

    2016-11-01

    By means of the asynchronous cellular automata algorithm we study stationary states and spatial patterning in an SIS model, in which the individuals are attached to the vertices of a graph and their mobility is mimicked by varying the neighbourhood size q. Here we consider the following cases: q is fixed at certain value; and q is taken at random at each step and for each individual. The obtained numerical data are then mapped onto the solution of its version, corresponding to the limit q → ∞. This allows for deducing an explicit form of the dependence of the fraction of infected individuals on the curing rate γ. A detailed analysis of the appearance of spatial patterns of infected individuals in the stationary state is performed.

  9. 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.

  10. Stationary solutions for the ellipsoidal BGK model in a slab

    NASA Astrophysics Data System (ADS)

    Bang, Jeaheang; Yun, Seok-Bae

    2016-11-01

    We address the boundary value problem for the ellipsoidal BGK model of the Boltzmann equation posed in a bounded interval. The existence of a unique mild solution is established under the assumption that the inflow boundary data does not concentrate too much around the zero velocity, and the gas is sufficiently rarefied.

  11. 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.

  12. Comment on `Stationary perfect fluid solutions with differential rotation'

    NASA Astrophysics Data System (ADS)

    Mars, Marc; Senovilla, José M. M.

    2008-10-01

    We vindicate our results in Mars and Senovilla (Phys Rev D 54, 6166 6180, 1996), which have been recently put in doubt or misunderstood in García and Ulloa (Gen Rel Grav 39, 1639 1650, 2007). In particular, we maintain that there indeed exist axially symmetric differentially rotating perfect-fluid solutions satisfying all energy conditions within the family of solutions presented in Senovilla (Class Quant Grav 9, L167 L169, 1992). We remark that the existence of an axis of symmetry can never be “re-interpreted” as the existence of a Killing horizon, and vice versa. We prove that such horizons are simply impossible for the perfect fluids within the family, and that regular axes of symmetry (or curvature singularities) are the only possibilities. Other inaccuracies or misunderstandings appeared in García and Ulloa (Gen Rel Grav 39, 1639 1650, 2007) are clarified.

  13. 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.

  14. Selectivity of some basic solutes on a poly(methyltetradecylsiloxane)-silica stationary phase.

    PubMed

    Borges, Endler M; Collins, Carol H

    2011-11-01

    Complex analyses of polar compounds, especially basic ones, require more selective stationary phases. The present paper describes a stationary phase prepared by thermal immobilization of poly(methyltetradecylsiloxane) onto chromatographic silica (PMTDS-SiO(2)). This stationary phase presents hydrophobic and ion-exchange interactions that confer both high retention and unique selectivities for basic solutes. The influence of ion-exchange interactions is confirmed by the increase in retention factors of basic solutes when the mobile-phase pH changes from acidic to neutral and by the decrease in retention factors when the mobile-phase pH changes from neutral to alkaline. The ion-exchange properties of the stationary phase are enriched in neutral mobile phase (pH 7-7.5) using soft Lewis bases such as tricine and tris as buffers but are suppressed in both acidic (pH 2.5-6) and highly alkaline mobile phases (pH≤10). Increasing both temperature and flow rate permits more rapid separations while maintaining the selectivity. The stability of the stationary phase is evaluated with acid, neutral and alkaline mobile phases.

  15. 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.

  16. Uniqueness theorem for stationary black ring solutions of {sigma} models in five dimensions

    SciTech Connect

    Rogatko, Marek

    2008-06-15

    We study the stationary axisymmetric self-gravitating nonlinear {sigma} model in five-dimensional spacetime admitting three commutating Killing vector fields. We show that the only asymptotically flat black ring solution with a regular rotating event horizon is the black ring characterized by mass and two angular momenta with constant mapping.

  17. 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

  18. 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.

  19. 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.

  20. Periodic solutions and stationary distribution of mutualism models in random environments

    NASA Astrophysics Data System (ADS)

    Zhang, Xinhong; Jiang, Daqing; Alsaedi, Ahmed; Hayat, Tasawar

    2016-10-01

    This paper is concerned with mutualism models in random environments. For the periodic mutualism model disturbed by white noise, using Has'minskii theory of periodic solution, we show that this model admits a nontrivial positive periodic solution. Then sufficient conditions for the existence and global attractivity of the boundary periodic solutions are established. For the mutualism model disturbed by both white noise and telephone noise, sufficient conditions for positive recurrence and the existence of ergodic stationary distribution of the solution are established. Finally, examples are introduced to illustrate the results developed.

  1. 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.

  2. 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

  3. The sensitivity of stationary waves to variations in the basic state zonal flow

    NASA Technical Reports Server (NTRS)

    Nigam, Sumant; Lindzen, Richard S.

    1989-01-01

    A linear, primitive equation stationary wave model having high vertical and meridional resolution is used to examine the sensitivity of orographically forced (primarily by Himalayas) stationary waves at middle and high latitudes to variations in the basic state zonal wind distribution. We find relatively little sensitivity to the winds in high latitudes, but remarkable sensitivity to small variations in the subtropical jet. Fluctuations well within the range of observed variability in the jet can lead to large variations in the stationary waves of the high latitude stratosphere, and to large changes even in tropospheric stationary waves. Implications for both sudden warmings and large-scale weather are discussed.

  4. Solution of the stationary 2D inverse heat conduction problem by Treffetz method

    NASA Astrophysics Data System (ADS)

    Cialkowski, Michael J.; Frąckowiak, Andrzej

    2002-05-01

    The paper presents analysis of a solution of Laplace equation with the use of FEM harmonic basic functions. The essence of the problem is aimed at presenting an approximate solution based on possibly large finite element. Introduction of harmonic functions allows to reduce the order of numerical integration as compared to a classical Finite Element Method. Numerical calculations conform good efficiency of the use of basic harmonic functions for resolving direct and inverse problems of stationary heat conduction. Further part of the paper shows the use of basic harmonic functions for solving Poisson’s equation and for drawing up a complete system of biharmonic and polyharmonic basic functions

  5. 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.

  6. 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.

  7. 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

  8. The effect of a stationary precipitation front on nuclide dissolution and transport: Analytic solutions

    SciTech Connect

    Light, W.B.; Chambre, P.L.; Lee, W.W.L.; Pigford, T.H.

    1988-02-01

    Waste material in a geologic repository will dissolve and migrate away. For many components, this process will be limited by the solubility of the waste matrix and species involved. In this paper we deal with a single contaminant species and analyze the effect of a precipitation front caused by a discontinuity in the solubility of the contaminant at some distance from the waste package. The precipitation front may be due to local geochemical changes such as changes in temperature, pH or redox potential, caused by nearby geologic features or the waste itself. In contrast with other work on precipitation fronts, we provide analytic solution to the problem of precipitation at a stationary front. Numerical illustrations of these solutions are also presented. 5 refs., 2 figs.

  9. 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.

  10. Out-of-equilibrium stationary states, percolation, and subcritical instabilities in a fully nonconservative system

    NASA Astrophysics Data System (ADS)

    Génois, Mathieu; Hersen, Pascal; Bertin, Eric; Courrech du Pont, Sylvain; Grégoire, Guillaume

    2016-10-01

    The exploration of the phase diagram of a minimal model for barchan fields leads to the description of three distinct phases for the system: stationary, percolable, and unstable. In the stationary phase the system always reaches an out-of-equilibrium, fluctuating, stationary state, independent of its initial conditions. This state has a large and continuous range of dynamics, from dilute—where dunes do not interact—to dense, where the system exhibits both spatial structuring and collective behavior leading to the selection of a particular size for the dunes. In the percolable phase, the system presents a percolation threshold when the initial density increases. This percolation is unusual, as it happens on a continuous space for moving, interacting, finite lifetime dunes. For extreme parameters, the system exhibits a subcritical instability, where some of the dunes in the field grow without bound. We discuss the nature of the asymptotic states and their relations to well-known models of statistical physics.

  11. 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.

  12. 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.

  13. 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

  14. 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

  15. 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.

  16. Self-organized critical system with no stationary attractor state

    NASA Astrophysics Data System (ADS)

    Nørrelykke, Simon F.; Bak, Per

    2002-03-01

    A simple model economy with interacting producers and consumers is introduced. When driven by extremal dynamics, the model self-organizes not to an attractor state, but to an asymptote, on which the economy has a constant rate of deflation, is critical, and exhibits avalanches of activity with power-law distributed sizes. This example demonstrates that self-organized critical behavior occurs in a larger class of systems than so far considered: systems not driven to an attractive fixed point, but, e.g., an asymptote, may also display self-organized criticality.

  17. Numerical solution of the stationary multicomponent nonlinear Schrödinger equation with a constraint on the angular momentum.

    PubMed

    Sandin, Patrik; Ögren, Magnus; Gulliksson, Mårten

    2016-03-01

    We formulate a damped oscillating particle method to solve the stationary nonlinear Schrödinger equation (NLSE). The ground-state solutions are found by a converging damped oscillating evolution equation that can be discretized with symplectic numerical techniques. The method is demonstrated for three different cases: for the single-component NLSE with an attractive self-interaction, for the single-component NLSE with a repulsive self-interaction and a constraint on the angular momentum, and for the two-component NLSE with a constraint on the total angular momentum. We reproduce the so-called yrast curve for the single-component case, described in [A. D. Jackson et al., Europhys. Lett. 95, 30002 (2011)], and produce for the first time an analogous curve for the two-component NLSE. The numerical results are compared with analytic solutions and competing numerical methods. Our method is well suited to handle a large class of equations and can easily be adapted to further constraints and components.

  18. Water uptake on polar stationary phases under conditions for hydrophilic interaction chromatography and its relation to solute retention.

    PubMed

    Dinh, Ngoc Phuoc; Jonsson, Tobias; Irgum, Knut

    2013-12-13

    Since water associated with the stationary phase surface appears to be the essence of the retention mechanism in hydrophilic interaction chromatography (HILIC), we developed a method to characterize the water-absorbing capabilities of twelve different HILIC stationary phases. Adsorption isotherms for non-modified and monomerically functionalized silica phases adhered to a pattern of monolayer formation followed by multilayer adsorption, whereas water uptake on polymerically functionalized silica stationary phases showed the characteristics of formation and swelling of hydrogels. Water accumulation was affected by adding ammonium acetate as buffer electrolyte and by replacing 5% of the acetonitrile with tertiary solvents capable of hydrogen bonding such as methanol or tetrahydrofuran. The relationship between water uptake and retention mechanism was investigated by studying the correlations between retention factors of neutral analytes and the phase ratios of HILIC columns, calculated either from the surface area (adsorption) or the volume of the water layer enriched from the acetonitrile/water eluent (partitioning). These studies made it evident that adsorption and partitioning actually coexist as retention promoters for neutral solutes in the water concentration regime normally encountered in HILIC. Which factors that dominates is dependent on the nature of the solute, the stationary phase, and the eluting conditions. PMID:24200388

  19. Bifurcations from stationary to periodic solutions in a low-order model of forced, dissipative barotropic flow

    NASA Technical Reports Server (NTRS)

    Mitchell, K. E.; Dutton, J. A.

    1981-01-01

    The considered investigation is concerned with periodic solutions in the context of a forced, dissipative, barotropic spectral model truncated to three complex coefficients with constant forcing on only the intermediate scale. It is found that determining a periodic solution of this three-coefficient model also reduces to finding the algebraic roots of a real polynomial. In the derivation of this polynomial, a class of hydrodynamic spectral systems is described for which a periodic solution might be similarly specified. The existence of periodic solutions of the three-coefficient model is controlled by the roots of the stability polynomial of the basic stationary solution, which represents the simplest response to the constant forcing. When the forcing exceeds a critical value, the basic solution becomes unstable. Owing to the nature of the roots of the stability polynomial at critical forcing, bifurcation theory guarantees the existence of a periodic solution.

  20. Optical field-strength generalized polarization of non-stationary quantum states in waveguiding photonic devices

    NASA Astrophysics Data System (ADS)

    Barral, David; Liñares, Jesús; Nistal, María C.

    2013-07-01

    A quantum analysis of the generalized polarization properties of multimode non-stationary states based on their optical field-strength probability distributions is presented. The quantum generalized polarization is understood as a significant confinement of the probability distribution along certain regions of a multidimensional optical field-strength space. The analysis is addressed to quantum states generated in multimode linear and nonlinear waveguiding (integrated) photonic devices, such as multimode waveguiding directional couplers and waveguiding parametric amplifiers, whose modes fulfill a spatial modal orthogonality. In particular, the generalized polarization degree of coherent, squeezed and Schrödinger's cat states is analyzed.

  1. 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.

  2. 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

  3. 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.

  4. Transition state structures in solution

    SciTech Connect

    Bertran, J.; Lluch, J. M.; Gonzalez-Lafont, A.; Dillet, V.; Perez, V.

    1995-04-05

    In the present paper the location of transition state structures for reactions in solution has been studied. Continuum model calculations have been carried out on the Friedel-Crafts alkylation reaction and a proton transfer through a water molecule between two oxygen atoms in formic acid. In this model the separation between the chemical system and the solvent has been introduced. On the other hand, the discrete Monte Carlo methodology has also been used to simulate the solvent effect on dissociative electron transfer processes. In this model, the hypothesis of separability is not assumed. Finally, the validity of both approaches is discussed.

  5. Transition state structures in solution

    NASA Astrophysics Data System (ADS)

    Bertrán, J.; Lluch, J. M.; Gonzàlez-Lafont, A.; Dillet, V.; Pérez, V.

    1995-04-01

    In the present paper the location of transition state structures for reactions in solution has been studied. Continuum model calculations have been carried out on the Friedel-Crafts alkylation reaction and a proton transfer through a water molecule between two oxygen atoms in formic acid. In this model the separation between the chemical system and the solvent has been introduced. On the other hand, the discrete Monte Carlo methodology has also been used to simulate the solvent effect on dissociative electron transfer processes. In this model, the hypothesis of separability is not assumed. Finally, the validity of both approaches is discussed.

  6. Analytical solutions of actin-retrograde-flow in a circular stationary cell: a mechanical point of view.

    PubMed

    Ghasemi, V A; Firoozabadi, B; Saidi, M S

    2014-03-01

    The network of actin filaments in the lamellipodium (LP) of stationary and migrating cells flows in a retrograde direction, from the membrane periphery toward the cell nucleus. We have theoretically studied this phenomenon in the circular stationary (fully spread) cells. Adopting a continuum view on the LP actin network, new closed-form solutions are provided for the actin-retrograde-flow (ARF) in a polar coordinate system. Due to discrepancy in the mechanical models of the actin network in the ARF regime, solutions are provided for both assumptions of solid and fluid behavior. Other involved phenomena, including polymerizing machine at the membrane periphery, cytosol drag, adhesion friction, and membrane tension, are also discussed to provide an overall quantitative view on this problem.

  7. A new association state of solutes in nanoconfined aqueous solutions

    NASA Astrophysics Data System (ADS)

    Tu, YuSong; Zhao, Liang; Fang, HaiPing

    2016-11-01

    Recently, we have found a reversible transition between the dispersion and aggregation states of solute molecules in aqueous solutions confined in nanoscale geometry, where solutes exhibit distinct behavior in a new association state from that in the dispersion and aggregation states observed usually in macroscopic systems. However, it remains unknown whether this new association state of solute molecules found in nanoconfined systems would vanish with the system size increasing and approaching the macroscopic scale. Here, we achieve the phase diagram of solute association states by making the analyses of Gibbs free energy of solutes in nanoconfined aqueous solutions in detail. In the phase diagram, we observe a closed regime with a finite system size of nanoconfined aqueous solutions and a solute concentration range, only in which there exists the new association state of solutes with the reversible transition between the aggregation and dispersion states, and there indeed exists an upper limit of the system size for the new association state, around several tens nanometers. These findings regarding the intimate connection between the system size and the solute association behavior provides the comprehensive understanding of the association dynamics of solutes in nanoconfined environment.

  8. 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].

  9. 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

  10. 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.

  11. Stationary distribution and periodic solutions for stochastic Holling-Leslie predator-prey systems

    NASA Astrophysics Data System (ADS)

    Jiang, Daqing; Zuo, Wenjie; Hayat, Tasawar; Alsaedi, Ahmed

    2016-10-01

    The stochastic autonomous and periodic predator-prey systems with Holling and Leslie type functional response are investigated. For the autonomous system, we prove that there exists a unique stationary distribution, which is ergodic by constructing a suitable Lyapunov function under relatively small white noise. The result shows that, stationary distribution doesn't rely on the existence and the stability of the positive equilibrium in the undisturbed system. Furthermore, for the corresponding non-autonomous system, we show that there exists a positive periodic Markov process under relatively weaker condition. Finally, numerical simulations illustrate our theoretical results.

  12. 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.

  13. Bose-Einstein distribution, condensation transition, and multiple stationary states in multiloci evolution of diploid populations.

    PubMed

    Bianconi, Ginestra; Rotzschke, Olaf

    2010-09-01

    The mapping between genotype and phenotype is encoded in the complex web of epistatic interaction between genetic loci. In this rugged fitness landscape, recombination processes, which tend to increase variation in the population, compete with selection processes that tend to reduce genetic variation. Here, we show that the Bose-Einstein distribution describe the multiple stationary states of a diploid population under this multiloci evolutionary dynamics. Moreover, the evolutionary process might undergo an interesting condensation phase transition in the universality class of a Bose-Einstein condensation when a finite fraction of pairs of linked loci is fixed into given allelic states. Below this phase transition the genetic variation within a species is significantly reduced and only maintained by the remaining polymorphic loci.

  14. Corticospinal beta-range coherence is highly dependent on the pre-stationary motor state.

    PubMed

    Omlor, Wolfgang; Patino, Luis; Mendez-Balbuena, Ignacio; Schulte-Mönting, Jürgen; Kristeva, Rumyana

    2011-06-01

    During steady muscle contractions, the human sensorimotor cortex generates oscillations in the beta-frequency range (15-30 Hz) that are coherent with the activity of contralateral spinal motoneurons. This corticospinal coherence is thought to favor stationary motor states, but its mode of operation remains elusive. We hypothesized that corticospinal beta-range coherence depends on the sensorimotor processing state before a steady force task and may thus increase after sensorimotor tuning to dynamic force generation. To test this hypothesis we instructed 16 human subjects to compensate static force after rest as well as after compensating predictable or unpredictable dynamic force with their right index finger. We calculated EEG-EMG coherence, cortical motor spectral power, and the motor performance during the force conditions. Corticospinal beta-coherence during stationary force was excessively elevated if the steady-state contraction was preceded by predictable dynamic force instead of rest, and was highest after unpredictable dynamic force. The beta-power decreased from rest to predictable dynamic force, and was lowest during unpredictable dynamic force. The increase in corticospinal beta-coherence showed a significant negative correlation with the preceding change in beta-power. The tuning to dynamic force did not entail an inferior motor performance during static force. The results imply a correlation between corticospinal beta-range coherence and the computational load of the preceding isometric motor engagement. We suggest beta-range coherence provides a functional corticospinal gateway for steady force-related processing that can override cortical states tuned to dynamic force. The modulation of corticospinal beta-range coherence might thus ensure comparable precision of static force in various motor contexts.

  15. Finite current stationary states of random walks on one-dimensional lattices with aperiodic disorder

    NASA Astrophysics Data System (ADS)

    Miki, Hiroshi

    2016-11-01

    Stationary states of random walks with finite induced drift velocity on one-dimensional lattices with aperiodic disorder are investigated by scaling analysis. Three aperiodic sequences, the Thue-Morse (TM), the paperfolding (PF), and the Rudin-Shapiro (RS) sequences, are used to construct the aperiodic disorder. These are binary sequences, composed of two symbols A and B, and the ratio of the number of As to that of Bs converges to unity in the infinite sequence length limit, but their effects on diffusional behavior are different. For the TM model, the stationary distribution is extended, as in the case without current, and the drift velocity is independent of the system size. For the PF model and the RS model, as the system size increases, the hierarchical and fractal structure and the localized structure, respectively, are broken by a finite current and changed to an extended distribution if the system size becomes larger than a certain threshold value. Correspondingly, the drift velocity is saturated in a large system while in a small system it decreases as the system size increases.

  16. Validity of the Michaelis-Menten equation--steady-state or reactant stationary assumption: that is the question.

    PubMed

    Schnell, Santiago

    2014-01-01

    The Michaelis-Menten equation is generally used to estimate the kinetic parameters, V and K(M), when the steady-state assumption is valid. Following a brief overview of the derivation of the Michaelis-Menten equation for the single-enzyme, single-substrate reaction, a critical review of the criteria for validity of the steady-state assumption is presented. The application of the steady-state assumption makes the implicit assumption that there is an initial transient during which the substrate concentration remains approximately constant, equal to the initial substrate concentration, while the enzyme-substrate complex concentration builds up. This implicit assumption is known as the reactant stationary assumption. This review presents evidence showing that the reactant stationary assumption is distinct from and independent of the steady-state assumption. Contrary to the widely believed notion that the Michaelis-Menten equation can always be applied under the steady-state assumption, the reactant stationary assumption is truly the necessary condition for validity of the Michaelis-Menten equation to estimate kinetic parameters. Therefore, the application of the Michaelis-Menten equation only leads to accurate estimation of kinetic parameters when it is used under experimental conditions meeting the reactant stationary assumption. The criterion for validity of the reactant stationary assumption does not require the restrictive condition of choosing a substrate concentration that is much higher than the enzyme concentration in initial rate experiments.

  17. Separation of monoclonal antibody charge state variants by open tubular capillary electrochromatography with immobilised protein as stationary phase.

    PubMed

    Zhang, Yamin; Wang, Wentao; Xiao, Xue; Jia, Li

    2016-09-30

    Monoclonal antibodies (mAbs) are highly heterogeneous and complex glycoproteins requiring powerful analytical tools for characterization and quality control. In this work, we utilize adsorbed bovine serum albumin (BSA) as a stationary phase in open tubular (OT) capillary electrochromatography for separation of charge state variants of mAbs. Poly(diallydimethylammonium chloride) (PDDA) was used to assist fabrication of BSA coated OT column by electrostatic self-assembly. Scanning electron microscopy and electroosmotic flow measurement were carried out to characterize the as-prepared BSA coated PDDA OT columns. The electrochromatographic performance of the OT columns was evaluated by separation of basic proteins and different charge state variants of mAbs. The effects of background solution pH and concentration on separation were investigated. A rapid separation of charge state variants of mAbs was successfully achieved in the BSA coated PDDA OT column. Separation of seven variants of the mAb cetuximab was achieved using the prepared column. Two basic variants and one acidic variant of rituximab, and two basic variants and four acidic variants of trastuximab were successfully distinguished from the main forms. In addition, the columns demonstrated good repeatability and stability with the run-to-run, day-to-day and batch-to-batch relative standard deviations of migration times less than 3.7%.

  18. Semiclassical multichannel perturbed-stationary-state model for rearrangement atomic collisions

    NASA Astrophysics Data System (ADS)

    Hose, Gabriel

    1995-03-01

    We present a translationally invariant formulation of the semiclassical perturbed-stationary-state (PSS) method of atomic collisions that satisfies scattering boundary conditions without resorting to the electron translation factor. Our formulation hinges on the fact that correctly dissociating linear combinations of adiabatic electronic states become in the limit proper atomic states. Galilean invariant dynamical couplings are generated by scattering momenta conjugated to reaction coordinates in the Jacobi frames appropriate for describing either the colliding or the parting atomic species. Residual asymptotic couplings exist and constitute a necessary ingredient of our theory. They emerge because an electron in asymptotic capture (charge-exchange) state travels in the Jacobi frame proper for its collision entry state. As such, we do not eliminate the residual couplings by modifying the adiabatic functions with an electron translation factor, but rather harness them to construct asymptotic interaction-picture traveling states suitable for the PSS basis employed. This allows negating the traveling phases from the semiclassically propagated adiabatic amplitudes. The resulting phase-free capture amplitudes reach a definite asymptotic limit. The collision momentum operators in Jacobi coordinates proper for different asymptotic rearrangements are not equivalent. This is always true regardless of the basis employed, since imposing a diagonal internal kinetic energy in one Jacobi frame necessarily implies it is not diagonal in other internal coordinates (which is also the source of residual couplings). We therefore suggest a unique and instantaneous dynamical coupling operator may be constructed as the temporal adiabatic-state weighted average of the scattering momenta associated with the electronic rearrangements spanned by the basis. The proposed multichannel PSS propagator is shown, in forthcoming work, to faithfully reproduce the charge-exchange cross sections in

  19. 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.

  20. Effects of solvent density on retention in gas-liquid chromatography. I. Alkanes solutes in polyethylene glycol stationary phases.

    PubMed

    González, F R; Pérez-Parajón, J; García-Domínguez, J A

    2002-04-12

    Gas-liquid chromatographic columns were prepared coating silica capillaries with poly(oxyethylene) polymers of different molecular mass distributions, in the range of low number-average molar masses, where the density still varies significantly. A novel, high-temperature, rapid evaporation method was developed and applied to the static coating of the low-molecular-mass stationary phases. The analysis of alkanes retention data from these columns reveals that the dependence of the partition coefficient with the solvent macroscopic density is mainly due to a variation of entropy. Enthalpies of solute transfer contribute poorly to the observed variations of retention. Since the alkanes solubility diminishes with the increasing solvent density, and this variation is weakly dependent with temperature, it is concluded that the decrease of free-volume in the liquid is responsible for this behavior.

  1. Characterization of dynamical phase transitions in quantum jump trajectories beyond the properties of the stationary state.

    PubMed

    Lesanovsky, Igor; van Horssen, Merlijn; Guţă, Mădălin; Garrahan, Juan P

    2013-04-12

    We describe how to characterize dynamical phase transitions in open quantum systems from a purely dynamical perspective, namely, through the statistical behavior of quantum jump trajectories. This approach goes beyond considering only properties of the steady state. While in small quantum systems dynamical transitions can only occur trivially at limiting values of the controlling parameters, in many-body systems they arise as collective phenomena and within this perspective they are reminiscent of thermodynamic phase transitions. We illustrate this in open models of increasing complexity: a three-level system, the micromaser, and a dissipative version of the quantum Ising model. In these examples dynamical transitions are accompanied by clear changes in static behavior. This is however not always the case, and, in general, dynamical phases need to be uncovered by observables which are strictly dynamical, e.g., dynamical counting fields. We demonstrate this via the example of a class of models of dissipative quantum glasses, whose dynamics can vary widely despite having identical (and trivial) stationary states. PMID:25167231

  2. 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.

  3. 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.

  4. Stationary charged scalar clouds around black holes in string theory

    NASA Astrophysics Data System (ADS)

    Bernard, Canisius

    2016-10-01

    It was reported that Kerr-Newman black holes can support linear charged scalar fields in their exterior regions. These stationary massive charged scalar fields can form bound states, which are called stationary scalar clouds. In this paper, we show that Kerr-Sen black holes can also support stationary massive charged scalar clouds by matching the near- and far-region solutions of the radial part of the Klein-Gordon wave equation. We also review stationary scalar clouds within the background of static electrically charged black hole solutions in the low-energy limit of heterotic string field theory, namely, the Gibbons-Maeda-Garfinkle-Horowitz-Strominger black holes.

  5. Time evolution towards q-Gaussian stationary states through unified Itô-Stratonovich stochastic equation.

    PubMed

    dos Santos, B Coutinho; Tsallis, C

    2010-12-01

    We consider a class of single-particle one-dimensional stochastic equations which include external field, additive, and multiplicative noises. We use a parameter θ ∊ [0,1] which enables the unification of the traditional Itô and Stratonovich approaches, now recovered, respectively, as the θ=0 and θ=1/2 particular cases to derive the associated Fokker-Planck equation (FPE). These FPE is a linear one, and its stationary state is given by a q-Gaussian distribution with q=(τ+2M(2-θ))/(τ+2M(1-θ)<3), where τ ≥ 0 characterizes the strength of the confining external field and M ≥ 0 is the (normalized) amplitude of the multiplicative noise. We also calculate the standard kurtosis κ(₁) and the q-generalized kurtosis κ(q) (i.e., the standard kurtosis but using the escort distribution instead of the direct one). Through these two quantities we numerically follow the time evolution of the distributions. Finally, we exhibit how these quantities can be used as convenient calibrations for determining the index q from numerical data obtained through experiments, observations, or numerical computations.

  6. 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.

  7. 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

  8. 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

  9. On existence and uniqueness of the solution of stationary flow in a profile cascade with natural boundary condition involving Bernoulli's pressure on the outflow

    NASA Astrophysics Data System (ADS)

    Neustupa, Tomáš

    2012-09-01

    The paper is concerned with the theoretical analysis of the model of incompressible, viscous, stationary flow through a plane cascade of profiles. We study the existence and uniqueness of the weak solution in the case of linear boundary condition of the "do-nothing" type. (Let us recall that this is not possible for the well known basic natural "do-nothing" boundary condition).

  10. 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.

  11. 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.

  12. 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

  13. 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.

  14. Metastable States of small-molecule solutions.

    PubMed

    He, Guangwen; Tan, Reginald B H; Kenis, Paul J A; Zukoski, Charles F

    2007-12-27

    Metastable states such as gels and glasses that are commonly seen in nanoparticle suspensions have found application in a wide range of products including toothpaste, hand cream, paints, and car tires. The equilibrium and metastable state behavior of nanoparticle suspensions are often described by simple fluid models where particles are treated as having hard cores and interacting with short-range attractions. Here we explore similar models to describe the presence of metastable states of small-molecule solutions. We have recently shown that the equilibrium solubilities of small hydrogen-bonding molecules and nanoparticles fall onto a corresponding-states solubility curve suggesting that with similar average strengths of attraction these molecules have similar solubilities. This observation implies that metastable states in small-molecule solutions may be found under conditions similar to those where metastable states are observed in nanoparticle and colloidal suspensions. Here we seek confirmation of this concept by exploring the existence of metastable states in solutions of small molecules.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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

  1. 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.

  2. Probability distributions extremizing the nonadditive entropy Sδ and stationary states of the corresponding nonlinear Fokker-Planck equation

    NASA Astrophysics Data System (ADS)

    Ribeiro, Mauricio S.; Tsallis, Constantino; Nobre, Fernando D.

    2013-11-01

    Under the assumption that the physically appropriate entropy of generic complex systems satisfies thermodynamic extensivity, we investigate the recently introduced entropy Sδ (which recovers the usual Boltzmann-Gibbs form for δ=1) and establish the microcanonical and canonical extremizing distributions. Using a generalized version of the H theorem, we find the nonlinear Fokker-Planck equation associated with that entropic functional and calculate the stationary-state probability distributions. We demonstrate that both approaches yield one and the same equation, which in turn uniquely determines the probability distribution. We show that the equilibrium distributions asymptotically behave like stretched exponentials, and that, in appropriate probability-energy variables, an interesting return occurs at δ=4/3. As a mathematically simple illustration, we consider the one-dimensional harmonic oscillator and calculate the generalized chemical potential for different values of δ.

  3. 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.

  4. 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.

  5. Effects of solvent density on retention in gas-liquid chromatography. II. Polar solutes in poly(ethylene glycol) stationary phases.

    PubMed

    González, F R; Pérez-Parajón, J

    2003-03-14

    Effects of solvent density on the solubility of polar probes which undergo specific interactions with poly(oxyethylene) are studied. The analysis of retention data on capillary columns coated with oligomeric poly(oxyethylene) stationary phases shows that, within the experimental error, the enthalpic contribution to the solubility is practically independent of variations in the solvent density. Average values of enthalpies of solute transfer are reported for different probes and temperatures. The observed systematic decrease of solubility with the increasing density is due to a change of entropy. Some thermodynamic consequences inferred from these general results are discussed. One relevant observation is that the influence of solvent's final groups must be negligible. This is even the case for oligomers with number-average degrees of polymerization as low as 13, hosting solutes capable of strong interactions with the end hydroxyl groups of linear poly(ethylene glycols). Possible explanations for this behavior are explored through molecular dynamics simulations of the liquid solvent.

  6. 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.

  7. Adaptive autoregressive modeling of non-stationary vibration signals under distinct gear states. Part 2: experimental analysis

    NASA Astrophysics Data System (ADS)

    Zhan, Y. M.; Jardine, A. K. S.

    2005-09-01

    Parametric time-frequency representation based on parametric models is more desirable for presenting highly precise time-frequency domain information due to its high-resolution property. However, the sensitivity and robustness of parametric models, in particular the parametric models on the basis of advanced adaptive filtering algorithms, has never been investigated for on-line condition monitoring of rotating machinery. Part 1 of this study proposed three adaptive parametric models based on three advanced adaptive filtering algorithms. Part 2 of this study is concerned with the effectiveness of the proposed models under distinct gear states, especially the highly non-stationary conditions accrued from advanced gear faults. Four gear states are considered: healthy state, adjacent gear tooth failure, non-adjacent gear tooth failure and distributed gear tooth failure. The vibration signals used in this study include the time-domain synchronous averaging signal and gear motion residual signal for each considered gear state. The test results demonstrate that the optimum filter behavior can readily be attained and the white Gaussian assumption of innovations can relatively be easily guaranteed for the NAKF-based model under distinct gear states and a wide variety of model initializations. On the other hand, the EKF- and MEKF-based models are capable of generating more accurate time-frequency representations than the NAKF-based model, but in general the optimality condition for white Gaussian assumption cannot be guaranteed for these two advanced models. Therefore, the NAKF-based model is preferred for automatic condition monitoring due to its appealing robustness to distinct gear states and arbitrary model initializations, whereas the EKF- and MEKF-based models are desirable when accurate time-frequency representation is concerned.

  8. Vacillations induced by interference of stationary and traveling planetary waves

    NASA Technical Reports Server (NTRS)

    Salby, Murry L.; Garcia, Rolando R.

    1987-01-01

    The interference pattern produced when a traveling planetary wave propagates over a stationary forced wave is explored, examining the interference signature in a variety of diagnostics. The wave field is first restricted to a diatomic spectrum consisting of two components: a single stationary wave and a single monochromatic traveling wave. A simple barotropic normal mode propagating over a simple stationary plane wave is considered, and closed form solutions are obtained. The wave fields are then restricted spatially, providing more realistic structures without sacrificing the advantages of an analytical solution. Both stationary and traveling wave fields are calculated numerically with the linearized Primitive Equations in a realistic basic state. The mean flow reaction to the fluctuating eddy forcing which results from interference is derived. Synoptic geopotential behavior corresponding to the combined wave and mean flow fields is presented, and the synoptic signature in potential vorticity on isentropic surfaces is examined.

  9. 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

  10. 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.

  11. 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

  12. Identification of standing fronts in steady state fluid flows: exact and approximate solutions for propagating MHD modes

    NASA Astrophysics Data System (ADS)

    Pantellini, Filippo; Griton, Léa

    2016-10-01

    The spatial structure of a steady state plasma flow is shaped by the standing modes with local phase velocity exactly opposite to the flow velocity. The general procedure of finding the wave vectors of all possible standing MHD modes in any given point of a stationary flow requires numerically solving an algebraic equation. We present the graphical procedure (already mentioned by some authors in the 1960's) along with the exact solution for the Alfvén mode and approximate analytic solutions for both fast and slow modes. The technique can be used to identify MHD modes in space and laboratory plasmas as well as in numerical simulations.

  13. 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

  14. 3D Stationary electric current density in a spherical tumor treated with low direct current: an analytical solution.

    PubMed

    Jiménez, Rolando Placeres; Pupo, Ana Elisa Bergues; Cabrales, Jesús Manuel Bergues; Joa, Javier Antonio González; Cabrales, Luis Enrique Bergues; Nava, Juan José Godina; Aguilera, Andrés Ramírez; Mateus, Miguel Angel O'Farril; Jarque, Manuel Verdecia; Brooks, Soraida Candida Acosta

    2011-02-01

    Electrotherapy with direct current delivered through implanted electrodes is used for local control of solid tumors in both preclinical and clinical studies. The aim of this research is to develop a solution method for obtaining a three-dimensional analytical expression for potential and electric current density as functions of direct electric current intensity, differences in conductivities between the tumor and the surrounding healthy tissue, and length, number and polarity of electrodes. The influence of these parameters on electric current density in both media is analyzed. The results show that the electric current density in the tumor is higher than that in the surrounding healthy tissue for any value of these parameters. The conclusion is that the solution method presented in this study is of practical interest because it provides, in a few minutes, a convenient way to visualize in 3D the electric current densities generated by a radial electrode array by means of the adequate selection of direct current intensity, length, number, and polarity of electrodes, and the difference in conductivity between the solid tumor and its surrounding healthy tissue.

  15. Retention prediction of highly polar ionizable solutes under gradient conditions on a mixed-mode reversed-phase and weak anion-exchange stationary phase.

    PubMed

    Balkatzopoulou, P; Fasoula, S; Gika, H; Nikitas, P; Pappa-Louisi, A

    2015-05-29

    In the present work the retention of three highly polar and ionizable solutes - uric acid, nicotinic acid and ascorbic acid - was investigated on a mixed-mode reversed-phase and weak anion-exchange (RP/WAX) stationary phase in buffered aqueous acetonitrile (ACN) mobile phases. A U-shaped retention behavior was observed for all solutes with respect to the eluent organic modifier content studied in a range of 5-95% (v/v). This retention behavior clearly demonstrates the presence of a HILIC-type retention mechanism at ACN-rich hydro-organic eluents and an RP-like retention at aqueous-rich hydro-organic eluents. Hence, this column should be promising for application under both RP and HILIC gradient elution modes. For this reason, a series of programmed elution runs were carried out with increasing (RP) and decreasing (HILIC) organic solvent concentration in the mobile phase. This dual gradient process was successfully modeled by two retention models exhibiting a quadratic or a cubic dependence of the logarithm of the solute retention factor (lnk) upon the organic modifier volume fraction (φ). It was found that both models produced by gradient retention data allow the prediction of solute retention times for both types of programmed elution on the mixed-mode column. Four, in the case of the quadratic model, or five, in the case of the cubic model, initial HILIC- and RP-type gradient runs gave satisfactory retention predictions of any similar kind elution program, even with different flow rate, with an overall error of only 2.5 or 1.7%, respectively.

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

    PubMed

    Sharada, Shaama Mallikarjun; Bell, Alexis T; Head-Gordon, Martin

    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. PMID:24784261

  17. 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.

  18. 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

  19. 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.

  20. Growth phase-dependent switch in osmolyte strategy in a moderate halophile: ectoine is a minor osmolyte but major stationary phase solute in Halobacillus halophilus.

    PubMed

    Saum, Stephan H; Müller, Volker

    2008-03-01

    The moderately halophilic, chloride-dependent bacterium Halobacillus halophilus switches its osmolyte strategy with the salinity in its environment by the production of different compatible solutes. Ectoine is produced predominantly at very high salinities, along with proline. Interestingly, ectoine production is growth phase dependent which led to a more than 1000-fold change in the ectoine : proline ratio from 0.04 in exponential to 27.4 in late stationary phase cultures. The genes encoding the ectoine biosynthesis pathway were identified on the chromosome in the order ectABC. They form an operon that is expressed in a salinity-dependent manner with low-level expression below 1.5 M NaCl but 10-fold and 23-fold increased expression at 2.5 and 3.0 M NaCl respectively. The temporal expression of genes involved in osmoresponse is different with gdh/gln and pro genes being first, followed by ect genes. Chloride had no effect on expression of ect genes, but stimulated cellular EctC synthesis as well as ectoine production. These data demonstrate, for the first time, a growth-phase dependent switch in osmolyte strategy in a moderate halophile and, additionally, represent another piece of the chloride regulon of H. halophilus.

  1. 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

  2. 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

  3. 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).

  4. Convergence to steady state of solutions of Burgers' equation

    NASA Technical Reports Server (NTRS)

    Kreiss, G.; Kreiss, H. O.

    1985-01-01

    Consider the initial boundary value problem for Burgers' equation. It is shown that its solutions converge, in time, to a unique steady state. The speed of the convergence depends on the boundary conditions and can be exponentially slow. Methods to speed up the rate of convergence are also discussed.

  5. 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

  6. 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.

  7. Using Information on Land-use and Capture Zones for non-Stationary State-Wide Interpolation of Groundwater Quality Parameters

    NASA Astrophysics Data System (ADS)

    Haslauer, Claus; Heißerer, Theresia; Bárdossy, András

    2014-05-01

    Using Information on Land-use and Capture Zones for non-Stationary State-Wide Interpolation of Groundwater Quality Parameters A novel approach for spatial non-stationary interpolation is presented. This approach takes censored measurements, secondary information in physically based neighbourhoods, and non-Gaussian spatial dependence structures into account. The impact of the improvements of the geostatistical model are evaluated using regional groundwater quality data. Secondary information has an influence on the distribution of the concentration at each interpolation location. In this study, land-use and hydrogeological units are used as two types of secondary information. The influence of the land-use composition of local neighbourhoods at an interpolation location is modelled by mixed distributions of concentrations. The mixture is derived from the distributions of concentrations within groups of similar land-uses. These pure distributions are jointly optimized for all groups of secondary information.Different geometries and sizes of the neighbourhood are used. Additionally, physically-based delineated capture zones are taken into account for evaluating the influence of the neighbourhood on the measurement distribution. Censored measurements, such as measurements below some detection limit, are commonly ignored, but are incorporated in the presented approach both in the marginal distributions and the multivariate distributions via probabilities of non-exceedance. This is an important feature for emerging contaminants, which typically have a large portion of censored measurements. Spatial copulas are multidimensional dependence models that are capable of incorporating not censored and censored measurements. The dependence can deviate from Gaussian dependence and is independent of the marginal distribution. The proposed model is used for estimation based on the measured parameters and for spatial interpolation purposes. The improved quality of the interpolation

  8. Non-constant steady-state solutions for Brusselator type systems

    NASA Astrophysics Data System (ADS)

    Ghergu, Marius

    2008-10-01

    We are concerned with the following stationary system: \\[ \\begin{equation*}\\begin{array}{@{}ll} -\\theta \\Delta u =\\lambda (1-(b+1)u+bu^mv)\\quad& \\mbox{in}\\ \\Omega ,\\\\ \\ms -\\Delta v= \\lambda a^2(u-u^mv) & \\mbox{in}\\ \\Omega, \\label{eqs1bd} \\end{array}\\end{equation*} \\] subject to homogeneous Neumann boundary conditions. Here \\Omega \\subset{\\mathbb R}^N (N >= 1) is a smooth and bounded domain and a, b, m, λ, θ are positive parameters. The particular case m = 2 corresponds to the steady-state Brusselator system. We establish existence and non-existence results for non-constant positive classical solutions. In particular, we provide upper and lower bounds for solutions which allows us to extend the previous works in the literature without any restriction on the dimension N >= 1. Our analysis also emphasizes the role played by the nonlinearity um. The proofs rely essentially on various types of a priori estimates.

  9. 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.

  10. 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.

  11. 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

  12. Investigation on intermolecular interaction between two solutes where one solute occurs in two states

    NASA Astrophysics Data System (ADS)

    Kang, Xiaoyan; He, Anqi; Guo, Ran; Chen, Jing; Zhai, Yanjun; Xu, Yizhuang; Noda, Isao; Wu, Jinguang

    2016-11-01

    The spectral behavior of a pair of 2D asynchronous spectra generated by using the double asynchronous orthogonal sample design (DAOSD) approach on a chemical system is investigated. Two solutes (P and Q) are dissolved in the solution and intermolecular interaction between P and Q is characterized. In this particular system, P occurs in two exchangeable states when it is dissolved in the solutions. Results on mathematical analysis and computer simulation demonstrated that interference unrelated to the intermolecular interaction can be completely removed. Hence the resultant 2D asynchronous spectra generated by using the DAOSD approach can reflect intermolecular interaction reliably. Moreover, properties of cross peaks in different regions of the pair of asynchronous spectra are discussed. In our previous works, cross peaks generated by using the DAOSD and relevant techniques reflect variations on peak position, bandwidth or absorptivity of the characteristic peaks of solutes caused by intermolecular interaction. However, we find that cross peak can still be produced even if intermolecular interaction do not bring about any changes on the characteristic peaks of solutes. Mathematical analysis demonstrates that cross peaks are related to the variations of chemical systems caused by intermolecular interaction at a network level.

  13. New solution method for steady-state canopy structural loads

    SciTech Connect

    Sundberg, W.D.

    1986-08-01

    A new computer code has been written to perform structural analysis canopies. Although an existing code, CANO, has been available, the new code has better convergence reliability, is more understandably written, and is easier to use. The equations have been reformulated for the new solution method. The new code assumes a symmetric canopy, a steady-state condition, and no strength in the vertical direction. It computes the inflated shape, loads in the horizontal members, radial members, vent lines, and suspension lines, and total drag. Constructed geometry, material properties, dynamic pressure, and pressure distribution are required as input.

  14. 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).

  15. 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).

  16. Stationary discrete solitons in a driven dissipative Bose-Hubbard chain

    NASA Astrophysics Data System (ADS)

    Naether, Uta; Quijandría, Fernando; García-Ripoll, Juan José; Zueco, David

    2015-03-01

    We demonstrate that stationary localized solutions (discrete solitons) exist in one-dimensional Bose-Hubbard lattices with gain and loss in a semiclassical regime. Stationary solutions, by definition, are robust and do not demand state preparation. Losses, unavoidable in experiments, are not a drawback, but a necessary ingredient for these modes to exist. The semiclassical calculations are complemented with their classical limit and dynamics based on a Gutzwiller ansatz. We argue that circuit quantum electrodynamic architectures are ideal platforms for realizing the physics developed here. Finally, within the input-output formalism, we explain how to experimentally access the different phases, including the solitons, of the chain.

  17. 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...

  18. 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

  19. Ordering phenomena of star polymer solutions approaching the Θ state

    NASA Astrophysics Data System (ADS)

    Likos, C. N.; Löwen, H.; Poppe, A.; Willner, L.; Roovers, J.; Cubitt, B.; Richter, D.

    1998-11-01

    The liquid-state ordering phenomena of a semidilute polybutadiene 64-arm star polymer solution were investigated by small-angle neutron scattering. For this purpose, we used deuterated 1,4-dioxane, which is a Θ solvent for the star at 31.5 °C. Its quality was modified by varying the temperature in the range between 40 °C and 80 °C. Besides a swelling of the star, with increasing temperature the development of a strong correlation peak was observed in the experiment. The experimental data were described theoretically by employing an effective pair potential between stars which was introduced earlier by Mewis et al. [J. Mewis, W. J. Frith, T. A. Strivens, and W. B. Russel, AIChE J. 35, 415 (1989)].

  20. 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.

  1. 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.

  2. 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

  3. 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

  4. 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.

  5. 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

  6. 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.

  7. 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.

  8. Scaling laws and accurate small-amplitude stationary solution for the motion of a planar vortex filament in the Cartesian form of the local induction approximation.

    PubMed

    Van Gorder, Robert A

    2013-04-01

    We provide a formulation of the local induction approximation (LIA) for the motion of a vortex filament in the Cartesian reference frame (the extrinsic coordinate system) which allows for scaling of the reference coordinate. For general monotone scalings of the reference coordinate, we derive an equation for the planar solution to the derivative nonlinear Schrödinger equation governing the LIA. We proceed to solve this equation perturbatively in small amplitude through an application of multiple-scales analysis, which allows for accurate computation of the period of the planar vortex filament. The perturbation result is shown to agree strongly with numerical simulations, and we also relate this solution back to the solution obtained in the arclength reference frame (the intrinsic coordinate system). Finally, we discuss nonmonotone coordinate scalings and their application for finding self-intersections of vortex filaments. These self-intersecting vortex filaments are likely unstable and collapse into other structures or dissipate completely.

  9. Permeability in a state of partial solidification of aqueous solution

    NASA Astrophysics Data System (ADS)

    Okada, Masashi; Kang, Chaedong; Okiyama, Haruhiko

    A mushy region was formed by solidifying NaCl aqueous solution in a circular tube or a rectangular tube. The measurements of permeability were performed by changing volume fraction of liquid region in the mushy region. The dendritic ice in the solidification process was observed with a CCD microscope. The following results were obtained. The permeability increases with the volume fraction of liquid phase, and decreases with increasing the super-cooling degree of the solution or increasing the initial concentration of the solution, and is constant after the mushy region was formed. The arm space of dendrite becomes narrower as the super-cooling degree of the solution increases.

  10. 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.

  11. 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.

  12. Dynamics of the separation of amino acid and mineral salt in the stationary dialysis of solutions with an MK-40 profiled sulfo group cation exchange membrane

    NASA Astrophysics Data System (ADS)

    Vasil'eva, V. I.; Vorob'eva, E. A.

    2012-11-01

    The conjugated diffusion transport of amino acid and mineral salt through a profiled sulfo group cation exchange membrane that simulates the extraction of amino acid from wash waters of microbiological production containing mineral components not used in synthesis is studied. The competitive nature of the conjugation of flows resulting in a decrease in the rate of the mass transfer of components and their separation factor is established from a comparative analysis of experimental data on the diffusion transfer of phenylalanine and sodium chloride in the form of hydrogen from individual and mixed solutions through a profiled sulfo group cation exchange membrane. The range of concentrations and the ratio of components in solution corresponding to the effective separation of phenylalanine and sodium chloride are determined.

  13. 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.

  14. A 2H nuclear magnetic resonance study of the state of water in neat silica and zwitterionic stationary phases and its influence on the chromatographic retention characteristics in hydrophilic interaction high-performance liquid chromatography.

    PubMed

    Wikberg, Erika; Sparrman, Tobias; Viklund, Camilla; Jonsson, Tobias; Irgum, Knut

    2011-09-23

    2H NMR has been used as a tool for probing the state of water in hydrophilic stationary phases for liquid chromatography at temperatures between -80 and +4 °C. The fraction of water that remained unfrozen in four different neat silicas with nominal pore sizes between 60 and 300 Å, and in silicas with polymeric sulfobetaine zwitterionic functionalities prepared in different ways, could be determined by measurements of the line widths and temperature-corrected integrals of the 2H signals. The phase transitions detected during thawing made it possible to estimate the amount of non-freezable water in each phase. A distinct difference was seen between the neat and modified silicas tested. For the neat silicas, the relationship between the freezing point depression and their pore size followed the expected Gibbs-Thomson relationship. The polymeric stationary phases were found to contain considerably higher amounts of non-freezable water compared to the neat silica, which is attributed to the structural effect that the sulfobetaine polymers have on the water layer close to the stationary phase surface. The sulfobetaine stationary phases were used alongside the 100 Å silica to separate a number of polar compounds in hydrophilic interaction (HILIC) mode, and the retention characteristics could be explained in terms of the surface water structure, as well as by the porous properties of the stationary phases. This provides solid evidence supporting a partitioning mechanism, or at least of the existence of an immobilized layer of water into which partitioning could be occurring. PMID:21855078

  15. Solid phase extraction of proteins from buffer solutions employing capillary-channeled polymer (C-CP) fibers as the stationary phase.

    PubMed

    Burdette, Carolyn Q; Marcus, R Kenneth

    2013-02-21

    Polypropylene (PP) capillary-channeled polymer (C-CP) fibers are applied for solid phase extraction (SPE) of proteins from aqueous buffer solutions using a micropipette tip-based format. A process was developed in which centrifugation is used as the moving force for solution passage in the loading/washing steps instead of the previously employed manual aspiration. The complete procedure requires ~15 minutes, with the number of samples run in parallel limited only by the capacity of the centrifuge. The method performance was evaluated based on adsorption and elution characteristics of several proteins (cytochrome c, lysozyme, myoglobin, and glucose oxidase) from 150 mM phosphate buffered saline (PBS) solutions. Protein concentration ranges of ~2 to 100 μg mL(-1) were employed and the recovery characteristics determined through UV-Vis absorbance spectrophotometry for protein quantification. The protein loading capacities across the range of proteins was ~1.5 μg for the 5 mg fiber tips. Average recoveries from PBS were determined for each protein sample; cytochrome c ~86%, lysozyme ~80%, myoglobin ~86%, and glucose oxidase ~89%. Recoveries from more complex matrices, synthetic urine and synthetic saliva, were determined to be ~90%. A 10× dilution study for a fixed 1 μg protein application yielded 94 ± 3.2% recoveries. The C-CP tips provided significantly higher recoveries for myoglobin in a 150 mM PBS matrix in comparison to a commercially available protein SPE product, with the added advantages of low cost, rapid processing, and reusability.

  16. 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

  17. 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.

  18. 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

  19. 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.

  20. Solid state and solution nitrate photochemistry: photochemical evolution of the solid state lattice.

    PubMed

    Asher, Sanford A; Tuschel, David D; Vargson, Todd A; Wang, Luling; Geib, Steven J

    2011-05-01

    We examined the deep UV 229 nm photochemistry of NaNO(3) in solution and in the solid state. In aqueous solution excitation within the deep UV NO(3)¯ strong π → π* transition causes the photochemical reaction NO(3)¯ → NO(2)¯ + O·. We used UV resonance Raman spectroscopy to examine the photon dose dependence of the NO(2)¯ band intensities and measure a photochemical quantum yield of 0.04 at pH 6.5. We also examined the response of solid NaNO(3) samples to 229 nm excitation and also observe formation of NO(2)¯. The quantum yield is much smaller at ∼10(-8). The solid state NaNO(3) photochemistry phenomena appear complex by showing a significant dependence on the UV excitation flux and dose. At low flux/dose conditions NO(2)¯ resonance Raman bands appear, accompanied by perturbed NO(3)¯ bands, indicating stress in the NaNO(3) lattice. Higher flux/dose conditions show less lattice perturbation but SEM shows surface eruptions that alleviate the stress induced by the photochemistry. Higher flux/dose measurements cause cratering and destruction of the NaNO(3) surface as the surface layers are converted to NO(2)¯. Modest laser excitation UV beams excavate surface layers in the solid NaNO(3) samples. At the lowest incident fluxes a pressure buildup competes with effusion to reach a steady state giving rise to perturbed NO(3)¯ bands. Increased fluxes result in pressures that cause the sample to erupt, relieving the pressure.

  1. Controlling molecular ordering in solution-state conjugated polymers.

    PubMed

    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

    2015-10-01

    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.

  2. 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

  3. 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…

  4. 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.

  5. Positive bound state solutions for some Schrödinger-Poisson systems

    NASA Astrophysics Data System (ADS)

    Cerami, Giovanna; Molle, Riccardo

    2016-10-01

    The paper deals with a class of Schrödinger-Poisson systems, where the coupling term and the other coefficients do not have any symmetry property. Moreover, the setting we consider does not allow the existence of ground state solutions. Under suitable assumptions on the decay rate of the coefficients, we prove existence of a bound state, finite energy solution.

  6. Yields of excited states of solutes in irradiated benzene and cyclohexane

    SciTech Connect

    Choi, H.T.; Hirayama, F.; Lipsky, S.

    1984-09-13

    The yields of lowest excited singlet states of diphenyloxazole and p-terphenyl in benzene and of diphenyloxazole, p-terphenyl, and biphenyl in cyclohexane have been measured for excitation by using /sup 85/Kr ..beta.. particles. The dependence of the yield on solute concentration for benzene solutions is shown to be accurately represented by a Stern-Volmer function from 5 x 10/sup -4/ to 10/sup -2/ M and to extrapolate at infinite solute concentration to the yield of excited singlet states of neat liquid benzene. The presence of oxygen in the solution does not affect the extrapolation. The absolute efficiencies of energy transfer from irradiated benzene to the solutes are in good agreement with previous measurements made by using optical excitation below the ionization threshold. These results provide additional confirmation that the mechanism of formation of excited solute states in fast-electron-irradiated benzene does not significantly involve electron or hole capture by the solute. They also demonstrate that the inhomogeneity of energy deposition does not affect the ratio of probabilities of the decay of excited benzene by photon emission to its decay by nonradiative energy transfer to the solute. For cyclohexane solutions, it is confirmed that the yields of excited solute states are lower than in benzene solutions at comparable concentration, but larger than would be expected were the same nonionic mechanism to apply as it does in benzene. The consequences of these conclusions are discussed.

  7. Stationary relativistic jets

    NASA Astrophysics Data System (ADS)

    Komissarov, Serguei S.; Porth, Oliver; Lyutikov, Maxim

    2015-11-01

    In this paper we describe a simple numerical approach which allows to study the structure of steady-state axisymmetric relativistic jets using one-dimensional time-dependent simulations. It is based on the fact that for narrow jets with vz≈ c the steady-state equations of relativistic magnetohydrodynamics can be accurately approximated by the one-dimensional time-dependent equations after the substitution z=ct. Since only the time-dependent codes are now publicly available this is a valuable and efficient alternative to the development of a high-specialised code for the time-independent equations. The approach is also much cheaper and more robust compared to the relaxation method. We tested this technique against numerical and analytical solutions found in literature as well as solutions we obtained using the relaxation method and found it sufficiently accurate. In the process, we discovered the reason for the failure of the self-similar analytical model of the jet reconfinement in relatively flat atmospheres and elucidated the nature of radial oscillations of steady-state jets.

  8. 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.

  9. 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

  10. Determination of hydrogen ion by ion chromatography (IC) with sulfonated cation-exchange resin as the stationary phase and aqueous EDTA (ethylenediamine-N,N,N',N'-tetraacetic acid) solution as the mobile phase.

    PubMed

    Hu, W; Iles, A; Hasebe, K; Matsukami, H; Cao, S; Tanaka, K

    2001-05-01

    An ion chromatographic (IC) method has been developed for determination of hydrogen ion (H+). It is based on the use of sulfonated cation-exchange resin as stationary phase, aqueous ethylenediamine-N,N,N',N'-tetraacetic acid (dipotassium salt, EDTA-2K, written as K2H2Y) solution as mobile phase, and conductivity for detection. H+ was separated mainly by cation-exchange, but its elution was accelerated by the presence of EDTA. The order of elution for the model cations was H+ > Li+ > Na+ > NH4+ > Ca2+ > > Mg2+. A sharp and highly symmetrical peak was obtained for H+ and this was attributed to the capacity of H2Y2(2-) to receive and bind H+. H+ was detected conductiometrically and detector response (reduction in conductivity as a result of H+ +H2Y2- --> H3Y-) was linearly proportional to the concentration of H+ in the sample. The detection limit for H+ with this IC system was better than 4.7 micromol L(-1). A significant advantage of this method was the ability to separate and determine, in one step, H+ and other cations. The successful determination of H+ and other cation species in real acid-rain samples demonstrated the usefulness of this method.

  11. 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

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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

  18. 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.

  19. The bound state solution for the Morse potential with a localized mass profile

    NASA Astrophysics Data System (ADS)

    Miraboutalebi, S.

    2016-10-01

    We investigate an analytical solution for the Schrödinger equation with a position-dependent mass distribution, with the Morse potential via Laplace transformations. We considered a mass function localized around the equilibrium position. The mass distribution depends on the energy spectrum of the state and the intrinsic parameters of the Morse potential. An exact bound state solution is obtained in the presence of this mass distribution.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. Stationary and oscillatory fronts in a two-component genetic regulatory network model

    NASA Astrophysics Data System (ADS)

    Hardway, Heather; Li, Yue-Xian

    2010-09-01

    We investigate a two-component gene network model, originally used to describe the spatiotemporal patterning of the gene products in early Drosophila development. By considering a particular mode of interaction between the two gene products, denoted proteins A and B, we find both stable stationary and time-oscillatory fronts can occur in the reaction-diffusion system. We reduce the system by replacing B with its spatial average (shadow system) and assume an abrupt “on-and-off” switch for the genes. In doing so, explicit formula are obtained for all steady-state solutions and their linear eigenvalues. Using the diffusion of A,Da, and the basal production rate, r, as bifurcation parameters, we explore ranges in which a monotone, stationary front is stable, and show it can lose stability through a Hopf bifurcation, giving rise to oscillatory fronts. We also discuss the existence and stability of steady-state and time-oscillatory solutions with multiple extrema. An intuitive explanation for the occurrence of stable stationary and oscillatory front solutions is provided based on the behavior of A in the absence of B and the opposite regulation between A and B. Such behavior is also interpreted in terms of the biological parameters in the model, including those governing the connection of the gene network.

  5. 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.

  6. 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

  7. 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.

  8. Mathematical analysis of steady-state solutions in compartment and continuum models of cell polarization.

    PubMed

    Zheng, Zhenzhen; Chou, Ching-Shan; Yi, Tau-Mu; Nie, Qing

    2011-10-01

    Cell polarization, in which substances previously uniformly distributed become asymmetric due to external or/and internal stimulation, is a fundamental process underlying cell mobility, cell division, and other polarized functions. The yeast cell S. cerevisiae has been a model system to study cell polarization. During mating, yeast cells sense shallow external spatial gradients and respond by creating steeper internal gradients of protein aligned with the external cue. The complex spatial dynamics during yeast mating polarization consists of positive feedback, degradation, global negative feedback control, and cooperative effects in protein synthesis. Understanding such complex regulations and interactions is critical to studying many important characteristics in cell polarization including signal amplification, tracking dynamic signals, and potential trade-off between achieving both objectives in a robust fashion. In this paper, we study some of these questions by analyzing several models with different spatial complexity: two compartments, three compartments, and continuum in space. The step-wise approach allows detailed characterization of properties of the steady state of the system, providing more insights for biological regulations during cell polarization. For cases without membrane diffusion, our study reveals that increasing the number of spatial compartments results in an increase in the number of steady-state solutions, in particular, the number of stable steady-state solutions, with the continuum models possessing infinitely many steady-state solutions. Through both analysis and simulations, we find that stronger positive feedback, reduced diffusion, and a shallower ligand gradient all result in more steady-state solutions, although most of these are not optimally aligned with the gradient. We explore in the different settings the relationship between the number of steady-state solutions and the extent and accuracy of the polarization. Taken together

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

    PubMed

    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.

  10. 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.

  11. On the accuracy of limiters and convergence to steady state solutions

    NASA Technical Reports Server (NTRS)

    Venkatakrishnan, V.

    1993-01-01

    This paper addresses the practical problem of obtaining convergence to steady state solutions when limiters are used in conjunction with upwind schemes on unstructured grids. The base scheme forms a gradient and limits it by imposing monotonicity conditions in the reconstruction stage. It is shown by analysis in one dimension that such an approach leads to various schemes meeting TVD requirements in one dimension. It is further shown that these formally second order accurate schemes are less than second order accurate in practice because of the action of the limiter function in smooth regions of the solution. Modifications are proposed to the limiter that restore the second order accuracy. In multiple dimensions these schemes produce steady state solutions that are monotone and devoid of oscillations. However, convergence stalls after a few orders of reduction in the residual. With the modified limiter, on the other hand, it is shown that converged steady state solutions can be obtained.

  12. Stationary black holes: large D analysis

    NASA Astrophysics Data System (ADS)

    Suzuki, Ryotaku; Tanabe, Kentaro

    2015-09-01

    We consider the effective theory of large D stationary black holes. By solving the Einstein equations with a cosmological constant using the 1 /D expansion in near zone of the black hole we obtain the effective equation for the stationary black hole. The effective equation describes the Myers-Perry black hole, bumpy black holes and, possibly, the black ring solution as its solutions. In this effective theory the black hole is represented as an embedded membrane in the background, e.g., Minkowski or Anti-de Sitter spacetime and its mean curvature is given by the surface gravity redshifted by the background gravitational field and the local Lorentz boost. The local Lorentz boost property of the effective equation is observed also in the metric itself. In fact we show that the leading order metric of the Einstein equation in the 1 /D expansion is generically regarded as a Lorentz boosted Schwarzschild black hole. We apply this Lorentz boost property of the stationary black hole solution to solve perturbation equations. As a result we obtain an analytic formula for quasinormal modes of the singly rotating Myers-Perry black hole in the 1 /D expansion.

  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. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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

  19. Anti-periodic solutions of Liénard equations with state dependent impulses

    NASA Astrophysics Data System (ADS)

    Belley, J.-M.; Bondo, É.

    2016-10-01

    Subject to a priori bounds, Liénard equations with state dependent impulsive forcing are shown to admit a unique absolutely continuous anti-periodic solution with first derivative of bounded variation on finite intervals. The point-wise convergence of a sequence of iterates to the solution is obtained, along with a bound for the rate of convergence. The results are applied to Josephson's and van der Pol's equations.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. Rapid assignment of solution 31P NMR spectra of large proteins by solid-state spectroscopy.

    PubMed

    Iuga, Adriana; Spoerner, Michael; Ader, Christian; Brunner, Eike; Kalbitzer, Hans Robert

    2006-07-21

    The application of the (31)P NMR spectroscopy to large proteins or protein complexes in solution is hampered by a relatively low intrinsic sensitivity coupled with large line widths. Therefore, the assignment of the phosphorus signals by two-dimensional NMR methods in solution is often extremely time consuming. In contrast, the quality of solid-state NMR spectra is not dependent on the molecular mass and the solubility of the protein. For the complex of Ras with the GTP-analogue GppCH(2)p we show solid-state (31)P NMR methods to be more sensitive by almost one order of magnitude than liquid-state NMR. Thus, solid-state NMR seems to be the method of choice for obtaining the resonance assignment of the phosphorus signals of protein complexes in solution. Experiments on Ras.GDP complexes show that the microcrystalline sample can be substituted by a precipitate of the sample and that unexpectedly the two structural states observed earlier in solution are present in crystals as well.

  6. 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.

  7. 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…

  8. 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)…

  9. Large stationary fuel cell systems: Status and dynamic requirements

    NASA Astrophysics Data System (ADS)

    Bischoff, Manfred

    Molten carbonate fuel cell demonstrations to-date, have been able to show the highest fuel-to-electricity conversion efficiencies (>50%) of any stand-alone fuel cell type. The primary developer of this type of fuel cell in United States is Fuel Cell Energy Corporation (FCE), the developer and manufacturer of the Direct FuelCell ™ concept. FCE and MTU CFC Solutions in Germany, a licensee of FCE have demonstrated carbonate fuel cells from 10 kW to 2 MW of electrical output on a variety of fuels. IHI in Japan are also developing carbonate fuel cells for stationary power and have recently successfully demonstrated the technology in Kawagoe, Japan. In Italy, Ansaldo fuel cell have demonstrated a 100 kW carbonate fuel cell in Milan. In Korea, the Ministry of Commerce, Industry and Energy has committed to install 300 fuel cell units, sized 250 kW to 1 MW, for distributed power generation by 2012. Carbonate fuel cell technology is more fuel flexible than lower temperature fuel cell technologies and is well suited for on-site stationary CHP applications as well as to marine, military, and traction applications. The present paper gives an overview about the commercialisation efforts for the molten carbonate fuel cell technology.

  10. 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.

  11. 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

  12. The equation of state for solutions of the sunflower oil+isomerhexane system

    NASA Astrophysics Data System (ADS)

    Safarov, M. M.; Abdukhamidova, Z.

    1995-11-01

    The article presents the results of an experimental investigation into the density of solutions of the sunflower oil+isomerhexane system (from 23 to 75%) at temperatures of from 293 to 450 K and pressures of from 0.101 to 98.1 MPa. An equation of state is obtained.

  13. 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 ...

  14. Bound and Scattering State Solutions of Schrodinger Equation for Asymmetric Woods Saxon Potential

    NASA Astrophysics Data System (ADS)

    Candemir, N.

    2012-06-01

    The one-dimensional time-independent Schrödinger equation is solved for asymmetric Woods-Saxon potential. The reflection and transmission coefficients and bound state solutions are obtained in terms of hypergeometric functions. Some useful figures are plotted to show the accuracy of the obtained results.

  15. Numerical solution of the chemical master equation uniqueness and stability of the stationary distribution for chemical networks, and mRNA bursting in a gene network with negative feedback regulation.

    PubMed

    Zeron, E S; Santillán, M

    2011-01-01

    In this work, we introduce a couple of algorithms to compute the stationary probability distribution for the chemical master equation (CME) of arbitrary chemical networks. We further find the conditions guaranteeing the algorithms' convergence and the unity and stability of the stationary distribution. Next, we employ these algorithms to study the mRNA and protein probability distributions in a gene regulatory network subject to negative feedback regulation. In particular, we analyze the influence of the promoter activation/deactivation speed on the shape of such distributions. We find that a reduction of the promoter activation/deactivation speed modifies the shape of those distributions in a way consistent with the phenomenon known as mRNA (or transcription) bursting.

  16. Comparison study of seizure detection using stationary and nonstationary methods.

    PubMed

    Li, Ying; Hsin, Yue-Loong; Liu, Wentai

    2014-01-01

    We present an accurate seizure detection algorithm, and make a detailed comparison of two frequency analysis methods: a widely used stationary method - Fast Fourier Transform (FFT) and a relatively new nonstationary method - Hilbert-Huang Transform (HHT). Two public databases and one our own database were tested. The results show that our algorithm has very high accuracy compared with the state-of-the-art. More interestingly, it shows that the nonstationary method HHT offers better performance than the stationary method FFT in seizure detection. Therefore we propose that we should pay attention to the nonstationarity of EEG signal, since the "stationary assumption" may introduce some inaccuracy.

  17. Convergence to steady state solutions of the Euler equations on unstructured grids with limiters

    SciTech Connect

    Venkatakrishnan, V.

    1995-04-01

    This paper addresses the practical problem of obtaining convergence to steady state solutions of the Euler equations when limiters are used in conjunction with upwind schemes on unstructured grids. The base scheme forms a gradient and limits it by imposing monotonicity conditions in the reconstruction stage. It is shown by analysis in one dimension that such an approach leads to various schemes meeting total-variation-diminishing requirements in one dimension. In multiple dirnensions these schemes produce steadystate solutions that are monotone and devoid of oscillations. However, convergence stalls after a few orders of reduction in the residual. A new limiter is introduced that is particularly suited for unstructured grid applications. When reduced to one dimension, it is shown that this limiter satisfies the standard theory. With this limiter, it is shown that converged steady-state solutions can be obtained. However, the solutions are not monotone. There appears to be a conflict between achieving convergence and monotone solutions with the higher order schemes that employ limiters in the framework presented.

  18. 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

  19. 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.

  20. 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

  1. 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.

  2. 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.

  3. A hybrid multigrid technique for computing steady-state solutions to supersonic flows

    NASA Technical Reports Server (NTRS)

    Sanders, Richard

    1992-01-01

    Recently, Li and Sanders have introduced a class of finite difference schemes to approximate generally discontinuous solutions to hyperbolic systems of conservation laws. These equations have the form together with relevant boundary conditions. When modelling hypersonic spacecraft reentry, the differential equations above are frequently given by the compressible Euler equations coupled with a nonequilibrium chemistry model. For these applications, steady state solutions are often sought. Many tens (to hundreds) of super computer hours can be devoted to a single three space dimensional simulation. The primary difficulty is the inability to rapidly and reliably capture the steady state. In these notes, we demonstrate that a particular variant from the schemes presented can be combined with a particular multigrid approach to capture steady state solutions to the compressible Euler equations in one space dimension. We show that the rate of convergence to steady state coming from this multigrid implementation is vastly superior to the traditional approach of artificial time relaxation. Moreover, we demonstrate virtual grid independence. That is, the rate of convergence does not depend on the degree of spatial grid refinement.

  4. Steady-state thermal-solutal convection and diffusion in a simulated float zone

    NASA Technical Reports Server (NTRS)

    Young, G. W.; Chait, A.

    1990-01-01

    Models describing the steady-state thermal diffusion in a pure system, the thermal-solutal diffusion in a binary system, and heat and momentum transverse in a pure system are presented. The geometry of the model is described by a 2D Cartesian coordinate system that is applicable for crystal sheets. The melting, solidifying, and melt/gas interfacial shapes as well as the thermal, flow, and solutal profiles are analytically evaluated as functions of the heat and ambient temperature profiles and material properties. The solution procedure involves a coupled asymptotic/numerical approach which reduces the coupled set of partial differential equations to ordinary type. The results should be applicable in situations where melt flows are not intense enough to change the thermal field in pure systems, or where the physical properties of the melt are such that the convective field is decoupled from the thermal field, the latter being established primarily by diffusion.

  5. 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

  6. 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

  7. 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

  8. 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.

  9. 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

  10. 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.

  11. 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.

  12. 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.

  13. Bifurcating steady-state solutions of the dissipative quasi-geostrophic equation in Lagrangian formulation

    NASA Astrophysics Data System (ADS)

    Chen, Zhi-Min

    2016-10-01

    It is shown that the non-homogeneous dissipative quasi-geostrophic equation ∂θ∂t+uṡ∇θ+κ(-Δ)αθ=sin⁡x2,   u=(-∂x2, ∂x1)(-Δ)-β/2θ with α =0 and β >1 losses stability at a critical value {κc}>0 and this instability gives rise to a circle of steady-state solutions.

  14. 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

  15. 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.

  16. Analytical solution of steady-state equations for chemical reaction networks with bilinear rate laws.

    PubMed

    Halász, Adám M; Lai, Hong-Jian; McCabe Pryor, Meghan; Radhakrishnan, Krishnan; Edwards, Jeremy S

    2013-01-01

    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.

  17. 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.

  18. 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

  19. 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

  20. 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.

  1. Theory of a stationary microwave discharge with multiply charged ions in an expanding gas jet

    NASA Astrophysics Data System (ADS)

    Shalashov, A. G.; Abramov, I. S.; Golubev, S. V.; Gospodchikov, E. D.

    2016-08-01

    The formation of a jet of a nonequilibrium multiply charged ion plasma is studied in the inhomogeneous gas jet. It is shown that the geometrical divergence of the jet restricts the maximum ion charge state and results in the spatial localization of the discharge. Stationary solutions corresponding to such regimes are constructed. The model proposed can be used to optimize modern experiments on generation of hard UV radiation due to the line emission of multiply ionized atoms in a gas jet heated by high-power millimeter and submillimeter radiation.

  2. Direct approach to bound-state solutions of the Yukawa potential

    NASA Astrophysics Data System (ADS)

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

    2015-02-01

    In this work, a straightforward approach to finding bound-state solutions of the Yukawa potential is presented. The proposal essentially converts the Schrödinger equation into a hypergeometric differential equation by means of a coordinate transformation together with a function transformation with the aim of finding the bound-state solutions of the multiparameter exponential-type potentials. The usefulness of the proposal is shown with the study of the bound-state solutions of the Yukawa potential in the frame of the Green and Aldrich approximation to the centrifugal term. Besides that the proposal is by far simpler than procedures developed with the same purpose, our algorithm accepts other kind of approximations to the 1/r2 term as well as the treatment of other specific exponential potentials, which can be obtained using a proper selection of the involved parameters. That is, instead of studying a given exponential-type potential with a specialised method, the energy spectra and wavefunctions are directly obtained as a particular case from the proposal.

  3. Preparation and chromatographic evaluation of a cysteine-bonded zwitterionic hydrophilic interaction liquid chromatography stationary phase.

    PubMed

    Shen, Aijin; Guo, Zhimou; Cai, Xiaoming; Xue, Xingya; Liang, Xinmiao

    2012-03-01

    A cysteine-bonded zwitterionic hydrophilic interaction chromatography (HILIC) stationary phase (Click TE-Cys) was prepared based on the "thiol-ene" click chemistry. The Click TE-Cys material was characterized by solid state ¹³C cross polarization/magic-angle spinning (CP/MAS) NMR and elemental analysis. The dynamic evaluation for cytosine, cytidine and orotic acid was performed using Van Deemter plots. The plate height values were no more than 24 μm for the flow rate between 0.5 and 5.4 mm s⁻¹ (0.3-3.5 mL min⁻¹), which proved the excellent separation efficiency of Click TE-Cys stationary phase. The influences of the content of water, concentration of salt and pH of the buffer solution on the retention of model compounds were investigated. The results demonstrated that the separation of polar analytes was dominated by the partitioning mechanism, while the contribution of electrostatic interaction was minor. The thermodynamic characteristic of Click TE-Cys stationary phase was also studied according to van't Hoff plot. An exothermic process for transferring analytes from the mobile phase to the stationary phase was observed and a linear relationship for ln k and 1/T was achieved, indicating no change of retention mechanism within the measured temperature range. Besides, the zwitterionic stationary phase exhibited good stability. Considering the high hydrophilicity of Click TE-Cys stationary phase, the application in the separation of protein tryptic digests was carried out using hydrophilic interaction chromatography-electrospray ionization mass spectrometry (HILIC-ESI-MS). More peaks were adequately resolved on the Click TE-Cys column comparing with that on the TSK Amide-80 column. In addition, the orthogonality between HILIC and RPLC system was investigated utilizing geometric approach. The XTerra MS C₁₈ and Click TE-Cys column displayed great difference in separation selectivity, with the orthogonality reaching 88.0%. On the other hand, the

  4. Magnetohydrodynamic flows sustaining stationary magnetic nulls

    NASA Astrophysics Data System (ADS)

    Titov, Vyacheslav S.; Hornig, Gunnar

    2000-09-01

    Exact solutions of the resistive magnetohydrodynamic equations are derived which describe a stationary incompressible flow near a generic null point of a three-dimensional magnetic field. The properties of the solutions depend on the topological skeleton of the corresponding magnetic field. This skeleton is formed by one-dimensional and two-dimensional invariant manifolds (so-called spine line and fan plane) of the magnetic field. It is shown that configurations of generic null points may always be sustained by stationary field-aligned flows of the stagnation type, where the null points of the magnetic and velocity fields have the same location. However, if the absolute value |j∥| of the current density component parallel to the spine line exceeds a critical value jc, the solution is not unique—there is a second nontrivial solution describing spiral flows with the stagnation point at the magnetic null. The characteristic feature of these new flows is that they cross magnetic field lines but they do not cross the corresponding spine and fan of the magnetic null. Therefore these are nonideal but nonreconnecting flows. The critical value |j∥|=jc coincides exactly with a threshold separating the topological distinct improper radial and spiral nulls. It is shown that this is not an accidental coincidence: the spiral field-crossing flows of the considered type are possible only due to the topological equivalence of the field lines forming the fan plane of the spiral magnetic null. The explicit expression for the pressure distribution of the solution is given and its iso-surfaces are found to be always ellipsoidal for the field-aligned flows, while for the field-crossing flows there are also cases with a hyperboloidal structure.

  5. Influence of Stationary Crossflow Modulation on Secondary Instability

    NASA Technical Reports Server (NTRS)

    Choudhari, Meelan M.; Li, Fei; Paredes, Pedro

    2016-01-01

    A likely scenario for swept wing transition on subsonic aircraft with natural laminar flow involves the breakdown of stationary crossflow vortices via high frequency secondary instability. A majority of the prior research on this secondary instability has focused on crossflow vortices with a single dominant spanwise wavelength. This paper investigates the effects of the spanwise modulation of stationary crossflow vortices at a specified wavelength by a subharmonic stationary mode. Secondary instability of the modulated crossflow pattern is studied using planar, partial-differential-equation based eigenvalue analysis. Computations reveal that weak modulation by the first subharmonic of the input stationary mode leads to mode splitting that is particularly obvious for Y-type secondary modes that are driven by the wall-normal shear of the basic state. Thus, for each Y mode corresponding to the fundamental wavelength of results in unmodulated train of crossflow vortices, the modulated flow supports a pair of secondary modes with somewhat different amplification rates. The mode splitting phenomenon suggests that a more complex stationary modulation such as that induced by natural surface roughness would yield a considerably richer spectrum of secondary instability modes. Even modest levels of subharmonic modulation are shown to have a strong effect on the overall amplification of secondary disturbances, particularly the Z-modes driven by the spanwise shear of the basic state. Preliminary computations related to the nonlinear breakdown of these secondary disturbances provide interesting insights into the process of crossflow transition in the presence of the first subharmonic of the dominant stationary vortex.

  6. 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

  7. 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.

  8. 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.

  9. 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.

  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

  11. Soil and soil solution chemistry under red spruce stands across the northeastern united states

    USGS Publications Warehouse

    David, M.B.; Lawrence, G.B.

    1996-01-01

    Red spruce ecosystems in the northeastern United States are of interest because this species is undergoing regional decline. Their underlying soils have been examined closely at only a few sites, and information available on red spruce soils throughout this region is limited.This study was conducted to examine soil and soil solution chemistry at red spruce sites in the northeastern US that encompass the range of soil conditions in which red spruce grow. Soils and soil solutions from Oa and B horizons were obtained over a 2-year period from 12 undisturbed red spruce forests (elevations of 80-975 m) in New York, Vermont, New Hampshire, and Maine. All sites had extremely acid Spodosols (Oa soil pH range 2.56 to 3.11 in 0.01 M CaCl2), with generally low concentrations of base cations and high concentrations of Al on soil exchange sites. There was considerable range in exchange chemistry across the sites, however, with exchangeable Ca in Oa horizons ranging from 2.1 to 21.6 cmolckg-1 and exchangeable Al from 3.6 to 18.3 cmolckg-1. Solution chemistry had high concentrations of DOC in the Oa horizons (1160-15200 ??mol L-1), with higher concentrations in the fall than in the spring, which was probably a reflection of fresh litter inputs. Despite high concentrations of DOC in all solutions, inorganic Al was found in some Oa solutions at concentrations as high as 26 ??mol L-1. Ratios of Ca2+ to inorganic Al concentraturns were less than 1.0 in the Oa horizon of one site, and were well below 1.0 in B horizons of all sites. That soil chemistry was related to soil solution chemistry was demonstrated by solution Al concentrations in the forest floor having significant relationships with pyrophosphate extractable Al, although it was not related in the B horizon. Soil exchangeable Ca/Al ratios in the Oa horizon explained 75% of the variation in solution Ca2+/inorganic Al ratios when mean values were used for each site. Our studies have expanded the range of soil chemical

  12. The transverse magnetic field effect on steady-state solutions of the Bursian diode

    SciTech Connect

    Pramanik, Sourav; Chakrabarti, Nikhil

    2015-04-15

    A study of steady-states of a planar vacuum diode driven by a cold electron beam (the Bursian diode) under an external transverse magnetic field is presented. The regime of no electrons turned around by a magnetic field only is under the consideration. The emitter electric field is evaluated as a characteristic function for the existence of solutions depending on the diode length, the applied voltage, and the magnetic field strength. At certain conditions, it is shown that a region of non-unique solutions exists in the Bursian diode when the magnetic field is absent. An expression for the maximum current transmitted through the diode is derived. The external magnetic field is put forth to control fast electronic switches based on the Bursian diode.

  13. Characterization of Swollen States of Polyelectrolyte Brushes in Salt Solution by Neutron Reflectivity

    NASA Astrophysics Data System (ADS)

    Kobayashi, Motoyasu; Mitamura, Koji; Terada, Masami; Yamada, Norifumi L.; Takahara, Atsushi

    2011-01-01

    Cationic and zwitterionic polyelectrolyte brushes on quartz substrate were synthesized by surface-initiated atom transfer radical polymerization of 2-(methacryloyloxy)-ethyltrimethylammonium chloride (MTAC) and 2-(methacryloyloxy)ethyl phosphorylcholine (MPC). The effects of ionic strength on brush structure are investigated by neutron reflectivity (NR) in NaCl deuterium oxide (D2O) solutions. We observed that poly(MTAC) chains were drastically shrunk at concentrations above 0.1 M NaCl/D2O, which may be the change in charge-screening effect against ions on poly(MTAC). On the other hand, effect of salt concentration on a swollen state of poly(MPC) brush was negligible, even at the high concentration (5.0 M) close to saturation. The behaviour of poly(MPC) in salt aqueous solution is completely different from that of poly(MTAC), which may arise from the unique interaction properties, neutral nature, and hydrated water structure of phosphorylcholine units.

  14. Steady-state solutions for relativistically strong electromagnetic waves in plasmas.

    NASA Technical Reports Server (NTRS)

    Max, C. E.

    1973-01-01

    New steady-state solutions are derived which describe electromagnetic waves strong enough to make plasma ions and electrons relativistic. A two-fluid model is used throughout. The following solutions are studied: (1) linearly polarized waves with phase velocity much greater than c; (2) arbitrarily polarized waves with phase velocity near c, in a cold uniform plasma; (3) circularly polarized waves in a uniform plasma characterized by a scalar pressure tensor. All of these waves are capable of propagating in normally overdense plasmas, due to nonlinearities introduced by relativistic effects. The propagation of relativistically strong waves in a density gradient is examined, for the example of a circularly polarized wave strong enough to make electrons but not ions relativistic. It is shown that such a wave propagates at constant energy flux despite the nonlinearity of the system.

  15. The transverse magnetic field effect on steady-state solutions of the Bursian diode

    NASA Astrophysics Data System (ADS)

    Pramanik, Sourav; Ender, A. Ya.; Kuznetsov, V. I.; Chakrabarti, Nikhil

    2015-04-01

    A study of steady-states of a planar vacuum diode driven by a cold electron beam (the Bursian diode) under an external transverse magnetic field is presented. The regime of no electrons turned around by a magnetic field only is under the consideration. The emitter electric field is evaluated as a characteristic function for the existence of solutions depending on the diode length, the applied voltage, and the magnetic field strength. At certain conditions, it is shown that a region of non-unique solutions exists in the Bursian diode when the magnetic field is absent. An expression for the maximum current transmitted through the diode is derived. The external magnetic field is put forth to control fast electronic switches based on the Bursian diode.

  16. 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.

  17. Relativistic kinematics and stationary motions

    NASA Astrophysics Data System (ADS)

    Russo, Jorge G.; Townsend, Paul K.

    2009-11-01

    The relativistic jerk, snap and all higher-order kinematical D-vectors are defined for the motion of a massive particle in a D-dimensional Minkowski spacetime. We illustrate the formalism with stationary motions, for which we provide a new, Lorentz covariant, classification. We generalize some cases to branes, explaining the relevance to uniform motion in a heat bath. We also consider some non-stationary motions, including motion with constant proper jerk, and free fall into a black hole as viewed from a GEMS perspective.

  18. 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…

  19. Entropy of Stationary Nonequilibrium Measures of Boundary Driven Symmetric Simple Exclusion Processes

    NASA Astrophysics Data System (ADS)

    Bernardin, Cédric; Landim, Claudio

    2010-12-01

    We examine the entropy of stationary nonequilibrium measures of boundary driven symmetric simple exclusion processes. In contrast with the Gibbs-Shannon entropy (Bahadoran in J. Stat. Phys. 126(4-5):1069-1082, 2007; Derrida et al. in J. Stat. Phys. 126(4-5):1083-1108, 2007), the entropy of nonequilibrium stationary states differs from the entropy of local equilibrium states.

  20. Nonlinear dressed states at the miscibility-immiscibility threshold

    NASA Astrophysics Data System (ADS)

    Nicklas, E.; Muessel, W.; Strobel, H.; Kevrekidis, P. G.; Oberthaler, M. K.

    2015-11-01

    The dynamical evolution of spatial patterns in a complex system can reveal the underlying structure and stability of stationary states. As a model system we employ a two-component Bose-Einstein condensate at the transition from miscible to immiscible with the additional control of linear interconversion. Excellent agreement is found between the detailed experimental time evolution and the corresponding numerical mean-field computations. Analyzing the dynamics of the system, we find clear indications of stationary states that we term nonlinear dressed states. A steady-state bifurcation analysis reveals a smooth connection of these states with dark-bright soliton solutions of the integrable two-component Manakov model.

  1. Self-regulating genes. Exact steady state solution by using Poisson representation

    NASA Astrophysics Data System (ADS)

    Sugár, István P.; Simon, István

    2014-09-01

    Systems biology studies the structure and behavior of complex gene regulatory networks. One of its aims is to develop a quantitative understanding of the modular components that constitute such networks. The self-regulating gene is a type of auto regulatory genetic modules which appears in over 40% of known transcription factors in E. coli. In this work, using the technique of Poisson Representation, we are able to provide exact steady state solutions for this feedback model. By using the methods of synthetic biology (P.E.M. Purnick and Weiss, R., Nature Reviews, Molecular Cell Biology, 2009, 10: 410-422) one can build the system itself from modules like this.

  2. Zirconium complexes with lactic acid in the solution and solid states

    NASA Astrophysics Data System (ADS)

    Demkowicz, Paul Andrew

    Lactic acid complexes of zirconium are used in a great number of industrial applications. Among these is their use as crosslinking agents for hydraulic fracturing fluids used in secondary oil recovery operations. Because of a poor understanding of zirconium lactate complex chemistry and crosslinking reactions, however, the design of superior fluid systems is often not guided by sound chemical principles and leads to empirical guesswork. Zirconium lactate solutions were characterized using Fourier transform infrared (FT-IR) spectroscopy, 1H, 13C, and 17O nuclear magnetic resonance (NMR) spectroscopy, and potentiometry. The results indicate that lactic acid is coordinated bidentate to zirconium via the alcohol and carboxylate groups. The average number of lactate ligands per zirconium ion is approximately 2 and is demonstrated to be relatively constant from pH 4--9. The lability of the lactate complexes increases as the pH is decreased. The NMR data reveal that there are both large and small complex molecules present in solution, with the size of the complex depending on the extent of zirconium hydrolysis. Large complexes consist of lactic acid coordinated to polynuclear zirconium hydroxy ions. The molecular size of these complexes is sufficient to hinder their tumbling in solution and cause broadening of the measured NMR signals. Small complexes involve lactic acid coordinated to hydroxylated species containing fewer zirconium ions, such that the rotational motion in solution is sufficiently rapid to result in narrow NMR signals. Zirconium lactate complexes were precipitated from solution and analyzed in the solid state using FT-IR spectroscopy, 13C magic angle spinning (MAS) NMR spectroscopy, elemental analysis, thermal gravitational analysis, and x-ray diffraction. Two distinct types of crystalline compounds were synthesized with four lactate ligands per zirconium ion. The coordination of lactic acid to zirconium is different in the two compounds, with one showing

  3. A Solution Space for a System of Null-State Partial Differential Equations: Part 3

    NASA Astrophysics Data System (ADS)

    Flores, Steven M.; Kleban, Peter

    2015-01-01

    This article is the third of four that completely and rigorously characterize a solution space for a homogeneous system of 2 N + 3 linear partial differential equations (PDEs) in 2 N variables that arises in conformal field theory (CFT) and multiple Schramm-Löwner evolution (SLE κ ). The system comprises 2 N null-state equations and three conformal Ward identities that govern CFT correlation functions of 2 N one-leg boundary operators. In the first two articles (Flores and Kleban, in Commun Math Phys, arXiv:1212.2301, 2012; Commun Math Phys, arXiv:1404.0035, 2014), we use methods of analysis and linear algebra to prove that dim , with C N the Nth Catalan number. Extending these results, we prove in this article that dim and entirely consists of (real-valued) solutions constructed with the CFT Coulomb gas (contour integral) formalism. In order to prove this claim, we show that a certain set of C N such solutions is linearly independent. Because the formulas for these solutions are complicated, we prove linear independence indirectly. We use the linear injective map of Lemma 15 in Flores and Kleban (Commun Math Phys, arXiv:1212.2301, 2012) to send each solution of the mentioned set to a vector in , whose components we find as inner products of elements in a Temperley-Lieb algebra. We gather these vectors together as columns of a symmetric matrix, with the form of a meander matrix. If the determinant of this matrix does not vanish, then the set of C N Coulomb gas solutions is linearly independent. And if this determinant does vanish, then we construct an alternative set of C N Coulomb gas solutions and follow a similar procedure to show that this set is linearly independent. The latter situation is closely related to CFT minimal models. We emphasize that, although the system of PDEs arises in CFT in away that is typically non-rigorous, our treatment of this system here and in Flores and Kleban (Commun Math Phys, arXiv:1212.2301, 2012; Commun Math Phys, arXiv:1404

  4. Evaluation of new mixed-mode UHPLC stationary phases and the importance of stationary phase choice when using low ionic-strength mobile phase additives.

    PubMed

    Nováková, Lucie; Vlčková, Hana; Petr, Solich

    2012-05-15

    In this study, the selectivity, retention properties, peak shape and loading capacity for bases were practically evaluated using two UHPLC mixed-mode hybrid CSH stationary phases modified by C18 or Phenyl group. The data were compared with the data obtained on other UHPLC hybrid stationary phases (BEH C18, BEH C8, BEH Phenyl and BEH Shield RP18) at both basic and acidic conditions using conventional HPLC buffers (50mM ammonium formate/acetate) as well as low ionic-strength additives such as, e.g. 0.1-0.01% formic/acetic acid and 1mM solution of ammonium formate/acetate, which are widely used in LC-MS applications. Ten pharmaceutically important compounds encompassing acids, bases and neutral were included into the study. Due to properties of CSH sorbent (which possess positively charged surface besides RP group), much improved peak shapes and weaker retention was obtained for bases even at very low concentration of acidic additives. Such conditions are ideally suited for LC-MS analysis of bases, where typical RP chromatographic separation (retention and good selectivity at basic pH) and LS-MS conditions (efficient ionization at acidic pH) are not in agreement. On the other hand, acids were more strongly retained and for some compounds the peak shape was influenced negatively due to ion-exchange mechanism. Further, the behavior of acidic, basic and neutral solutes is discussed using various additives at both basic and acidic pH for all above stated columns. The robustness of retention times after pH change from basic to acidic was also evaluated. The new CSH stationary phases represent an interesting selectivity tool preferably for separation of basic compounds. PMID:22483883

  5. Solution and Solid State Nuclear Magnetic Resonance Spectroscopic Characterization of Efavirenz.

    PubMed

    Sousa, Eduardo Gomes Rodrigues de; Carvalho, Erika Martins de; San Gil, Rosane Aguiar da Silva; Santos, Tereza Cristina Dos; Borré, Leandro Bandeira; Santos-Filho, Osvaldo Andrade; Ellena, Javier

    2016-09-01

    Samples of efavirenz (EFZ) were evaluated to investigate the influence of the micronization process on EFZ stability. A combination of X-ray diffraction, thermal analysis, FTIR, observations of isotropic chemical shifts of (1)H in distinct solvents, their temperature dependence and spin-lattice relaxation time constants (T1), solution (1D and 2D) (13)C nuclear magnetic resonance (NMR), and solid-state (13)C NMR (CPMAS NMR) provides valuable structural information and structural elucidation of micronized EFZ and heptane-recrystallized polymorphs (EFZ/HEPT). This study revealed that the micronization process did not affect the EFZ crystalline structure. It was observed that the structure of EFZ/HEPT is in the same form as that obtained from ethyl acetate/hexane, as shown in the literature. A comparison of the solid-state NMR spectra revealed discrepancies regarding the assignments of some carbons published in the literature that have been resolved.

  6. Stationary measure in the multiverse

    SciTech Connect

    Linde, Andrei; Vanchurin, Vitaly; Winitzki, Sergei E-mail: vitaly@cosmos2.phy.tufts.edu

    2009-01-15

    We study the recently proposed ''stationary measure'' in the context of the string landscape scenario. We show that it suffers neither from the ''Boltzmann brain'' problem nor from the ''youngness'' paradox that makes some other measures predict a high CMB temperature at present. We also demonstrate a good performance of this measure in predicting the results of local experiments, such as proton decay.

  7. Are Eddy Covariance series stationary?

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Spectral analysis via a discrete Fourier transform is used often to examine eddy covariance series for cycles (eddies) of interest. Generally the analysis is performed on hourly or half-hourly data sets collected at 10 or 20 Hz. Each original series is often assumed to be stationary. Also automated ...

  8. Implicit unified gas-kinetic scheme for steady state solutions in all flow regimes

    NASA Astrophysics Data System (ADS)

    Zhu, Yajun; Zhong, Chengwen; Xu, Kun

    2016-06-01

    This paper presents an implicit unified gas-kinetic scheme (UGKS) for non-equilibrium steady state flow computation. The UGKS is a direct modeling method for flow simulation in all regimes with the updates of both macroscopic flow variables and microscopic gas distribution function. By solving the macroscopic equations implicitly, a predicted equilibrium state can be obtained first through iterations. With the newly predicted equilibrium state, the evolution equation of the gas distribution function and the corresponding collision term can be discretized in a fully implicit way for fast convergence through iterations as well. The lower-upper symmetric Gauss-Seidel (LU-SGS) factorization method is implemented to solve both macroscopic and microscopic equations, which improves the efficiency of the scheme. Since the UGKS is a direct modeling method and its physical solution depends on the mesh resolution and the local time step, a physical time step needs to be fixed before using an implicit iterative technique with a pseudo-time marching step. Therefore, the physical time step in the current implicit scheme is determined by the same way as that in the explicit UGKS for capturing the physical solution in all flow regimes, but the convergence to a steady state speeds up through the adoption of a numerical time step with large CFL number. Many numerical test cases in different flow regimes from low speed to hypersonic ones, such as the Couette flow, cavity flow, and the flow passing over a cylinder, are computed to validate the current implicit method. The overall efficiency of the implicit UGKS can be improved by one or two orders of magnitude in comparison with the explicit one.

  9. Non-Stationary Hydrologic Transport in the Vadose Zone: Experimental Results of Multiple Tracer Injections in Lysimeters

    NASA Astrophysics Data System (ADS)

    Queloz, P.; Rao, P. C.; Rinaldo, A.

    2012-12-01

    Travel and residence times are well-known descriptors of hydrologic and solute transport in the vadose zone. It has been observed that their probability density functions are stationary only under specific conditions, rarely encountered in natural catchments. This study aims at demonstrating the emergence of non-stationary solute transport in a highly monitored system, and identifying the factors controlling the variations of the observed solute travel-times. 2-meters deep weighing lysimeters are exposed to stochastic rainfall sequences. Multiple derivatives of difluorobenzoate compounds are sequentially injected at different times in the system, and are analyzed in the drainage flux at the bottom outlet and at different depth within the soil profiles. Willow trees planted in the systems create a stochastic soil water deficit by evapotranspiration. As each tracer injected is analytically differentiable from the others, the computation of the tracer breakthrough curves at the lysimeter outlet allows measuring the solute travel-time distributions conditional on the injection time. The observed breakthrough curves display a large variability, emphasizing the effects of the initial conditions at the injection time and the subsequent states encountered in the system on solute transport. Two types of climate have been simulated on the lysimeters. With the precision load cells installed under each lysimeter and the water content probes deployed in the soil profiles, a detailed comparison of the water balance and storage dynamics and their influence on solute transport timing can be done.

  10. Impurity effects in crystal growth from solutions: Steady states, transients and step bunch motion

    NASA Astrophysics Data System (ADS)

    Ranganathan, Madhav; Weeks, John D.

    2014-05-01

    We analyze a recently formulated model in which adsorbed impurities impede the motion of steps in crystals grown from solutions, while moving steps can remove or deactivate adjacent impurities. In this model, the chemical potential change of an atom on incorporation/desorption to/from a step is calculated for different step configurations and used in the dynamical simulation of step motion. The crucial difference between solution growth and vapor growth is related to the dependence of the driving force for growth of the main component on the size of the terrace in front of the step. This model has features resembling experiments in solution growth, which yields a dead zone with essentially no growth at low supersaturation and the motion of large coherent step bunches at larger supersaturation. The transient behavior shows a regime wherein steps bunch together and move coherently as the bunch size increases. The behavior at large line tension is reminiscent of the kink-poisoning mechanism of impurities observed in calcite growth. Our model unifies different impurity models and gives a picture of nonequilibrium dynamics that includes both steady states and time dependent behavior and shows similarities with models of disordered systems and the pinning/depinning transition.

  11. Inverse solution technique of steady-state responses for local nonlinear structures

    NASA Astrophysics Data System (ADS)

    Wang, Xing; Guan, Xin; Zheng, Gangtie

    2016-03-01

    An inverse solution technique with the ability of obtaining complete steady-state primary harmonic responses of local nonlinear structures in the frequency domain is proposed in the present paper. In this method, the nonlinear dynamic equations of motion is first condensed from many to only one algebraic amplitude-frequency equation of relative motion. Then this equation is transformed into a polynomial form, and with its frequency as the unknown variable, the polynomial equation is solved by tracing all the solutions of frequency with the increase of amplitude. With this solution technique, some complicated dynamic behaviors such as sharp tuning, anomalous jumps, breaks in responses and detached resonance curves could be obtained. The proposed method is demonstrated and validated through a finite element beam under force excitations and a lumped parameter model with a local nonlinear element under base excitations. The phenomenon of detached resonance curves in the frequency response and its coupling effects with multiple linear modes in the latter example are observed.

  12. Necessary and sufficient conditions of stationary average consensus for second-order multi-agent systems

    NASA Astrophysics Data System (ADS)

    Pei, Yongquan; Sun, Jitao

    2016-11-01

    This paper investigates the stationary average consensus problem for second-order discrete-time multi-agent systems (SDMAS). A stationary consensus problem is to find a control algorithm that brings the state of a group of agents to a common constant value which is called the collective decision. We introduce the concept of stationary average consensus of SDMAS and propose a consensus algorithm. Based on the polynomial stability and the graph theory, we obtain two necessary and sufficient conditions of stationary average consensus of SDMAS. The last theorem provides an algebraic criterion of stationary average consensus, and can help us to determine the parameters in the consensus algorithm. Furthermore, in this consensus algorithm, only the states of the agents are transferred among the agents. Therefore, this algorithm can not only solve the stationary average consensus problem but also reduce the amount of transferred data. A numerical example is provided to illustrate the efficiency of our results.

  13. Excited States in Solution at Eom-Ccsd Level with the Polarizable Continuum Model of Solvation

    NASA Astrophysics Data System (ADS)

    Caricato, M.

    2011-06-01

    Electronic excited states are at the center of many research areas, and theoretical simulations are increasingly important. Although approximate methods based on time dependent density functional theory represent a useful tool, accurate wave function methods are still the most reliable approach. These methods, however, suffer from high computational cost that limits their range of applicability. This is particularly so when the system under study is in solution. In fact, the treatment of a large number of solvent molecules, even when modeled at a low level of theory (like molecular mechanics), is cumbersome due to the large number of conformations that needs to be considered. When the solvent is not directly involved in the process, its effect can be properly accounted for by using polarizable continuum models (PCMs) where the conformational average is implicit in the solvent dielectric constant. In this contribution, the treatment of electronic excited state energy and structure of molecules in solution at the EOM-CCSD/PCM level of theory is presented. This approach represents an effective compromise between computational cost and accurate treatment of the central part of the system while taking into account the non-negligible effect of the solvent.

  14. Ultraviolet resonance Raman spectroscopy of explosives in solution and the solid state.

    PubMed

    Emmons, Erik D; Tripathi, Ashish; Guicheteau, Jason A; Fountain, Augustus W; Christesen, Steven D

    2013-05-23

    Resonance Raman cross sections of common explosives have been measured by use of excitation wavelengths in the deep-UV from 229 to 262 nm. These measurements were performed both in solution and in the native solid state for comparison. While measurements of UV Raman cross sections in solution with an internal standard are straightforward and commonly found in the literature, measurements on the solid phase are rare. This is due to the difficulty in preparing a solid sample in which the molecules of the internal standard and absorbing analyte/explosive experience the same laser intensity. This requires producing solid samples that are mixtures of strongly absorbing explosives and an internal standard transparent at the UV wavelengths used. For the solid-state measurements, it is necessary to use nanostructured mixtures of the explosive and the internal standard in order to avoid this bias due to the strong UV absorption of the explosive. In this study we used a facile spray-drying technique where the analyte of interest was codeposited with the nonresonant standard onto an aluminum-coated microscope slide. The generated resonance enhancement profiles and quantitative UV-vis absorption spectra were then used to plot the relative Raman return as a function of excitation wavelength and particle size.

  15. ATUS-PRO: A FEM-based solver for the time-dependent and stationary Gross-Pitaevskii equation

    NASA Astrophysics Data System (ADS)

    Marojević, Želimir; Göklü, Ertan; Lämmerzahl, Claus

    2016-05-01

    ATUS-PRO is a solver-package written in C++ designed for the calculation of numerical solutions of the stationary- and the time dependent Gross-Pitaevskii equation for local two-particle contact interaction utilising finite element methods. These are implemented by means of the deal.II library (Bangerth et al., 0000) [1], (Bangerth et al., 2007) [2]. The code can be used in order to perform simulations of Bose-Einstein condensates in gravito-optical surface traps, isotropic and full anisotropic harmonic traps, as well as for arbitrary trap geometries. A special feature of this package is the possibility to calculate non-ground state solutions (topological modes, excited states) (Marojević et al., 2013), (Yukalov et al., 1997, 2004) [3,4] for an arbitrarily high non-linearity term. The solver-package is designed to run on parallel distributed machines and can be applied to problems in one, two, or three spatial dimensions with axial symmetry or in Cartesian coordinates. The time dependent Gross-Pitaevskii equation is solved by means of the fully implicit Crank-Nicolson method, whereas stationary states are obtained with a modified version based on our own constrained Newton method (Marojević et al., 2013). The latter method enables to find the excited state solutions.

  16. Tracer breakthrough curves in a complex lysimeter system: evidence of non-stationary transport

    NASA Astrophysics Data System (ADS)

    Queloz, P.; Bertuzzo, E.; Botter, G.; Rao, P.; Rinaldo, A.

    2013-12-01

    We report on the outcomes of a lysimeter experiment aimed at the measurement of travel time distributions of water and certain nonreactive solutes under non-stationary conditions to examine the kinematics of age mixing. In order to simulate the release of a compound in a receiving water body, it is common in hydrology to attribute a travel time probability distribution to each particle, which reflects the response of a catchment unit to a solute input. Hence, the concentration measured at a control section becomes the convolution between the travel time distribution and the concentration of the inputs throughout the past. This study aims at experimentally demonstrating that the tracer travel time probability distribution is, in fact, strongly dependent on the antecedent conditions at the time of tracer injection and the subsequent states experienced in the system. It is therefore a function of numerous transient processes such as hydrologic filtering in soils, climatic forcing or evapotranspiration patterns. A 2-meter deep weighing lysimeter was equipped with a discharge measurement system coupled with a sample collector, an array of water content sensors and an array of porous cups for soil water sampling at three different depths. Controlled random rainfall following a Poisson process was generated, and evapotranspiration losses from two willow trees planted in the lysimeter created an important soil-water storage deficit. Five species of fluorobenzoic acids were used as tracers, and sequentially injected through rainfall at different times. The measurement system installed allowed a precise and accurate monitoring of every input and output flux and water storage, which is crucial to determine the conditions influencing the travel time distribution and to calculate the mass loads and recovery rates. Breakthrough curves for multiple tracers measured at several depths within the lysimeter and at the lysimeter outlet provide support for non-stationary tracer travel

  17. Spin-symmetric solution of an interacting quantum dot attached to superconducting leads: Andreev states and the 0- π transition

    NASA Astrophysics Data System (ADS)

    Janiš, Václav; Pokorný, Vladislav; Žonda, Martin

    2016-09-01

    Behavior of Andreev gap states in a quantum dot with Coulomb repulsion symmetrically attached to superconducting leads is studied via the perturbation expansion in the interaction strength. We find the exact asymptotic form of the spin-symmetric solution for the Andreev states continuously approaching the Fermi level. We thereby derive a critical interaction at which the Andreev states at zero temperature merge at the Fermi energy, being the upper bound for the 0-π transition. We show that the spin-symmetric solution becomes degenerate beyond this interaction, in the π phase, and the Andreev states do not split unless the degeneracy is lifted. We further demonstrate that the degeneracy of the spin-symmetric state extends also into the 0 phase in which the solutions with zero and non-zero frequencies of the Andreev states may coexist.

  18. On the stationary Einstein-Maxwell field equations

    NASA Astrophysics Data System (ADS)

    Das, A.; Kloster, S.

    1980-08-01

    The stationary gravitational equations in the presence of the electromagnetic fields, outside charged gravitating sources, are investigated. (i) The action integral of Kramer-Neugebauer-Stephani (K.N.S.) is derived from the Hilbert action integral by using new variational techniques. (ii) It is shown that the classification scheme for the system of partial differential equations of general relativity depends on the coordinate system used. In particular, if orthogonal coordinates are chosen for the associated space then the system of Einstein-Maxwell equations is a hyperbolic one. (iii) The eigenvalues of the Ricci tensor of associated space are expressed in terms of the invariants of stationary electro-gravitational fields. It is proved that if these eigenvalues are equal then the fields must belong to the class of Peres-Israel-Wilson (PIW) solutions. (iv) The global integrability of some of the stationary Einstein-Maxwell equations and the consequent equilibrium conditions of the ''bodies'' are investigated. (v) Boundary value problems for some of the field equations are pursued. It is proved that ω≡ln||g44|| is neither subharmonic nor superharmonic and the boundary value problem for this function does not yield a unique solution in general. A nontrivial solution of the stationary equations with ω≡0 is given. A special boundary value problem is explicitly solved. (vi) The PIW solutions are generated from the charged Kerr-Tomimatsu-Sato-Yamazaki (KTSY) solutions. The complex axially symmetric harmonic functions of these PIW solutions can be obtained from the real axially symmetric harmonic functions of the static Weyl class of electrovac solutions by a complex scale transformation of the coordinates.

  19. Bound state solution of Dirac equation for Hulthen plus trigonometric Rosen Morse non-central potential using Romanovski polynomial

    SciTech Connect

    Suparmi, A. Cari, C.; Angraini, L. M.

    2014-09-30

    The bound state solutions of Dirac equation for Hulthen and trigonometric Rosen Morse non-central potential are obtained using finite Romanovski polynomials. The approximate relativistic energy spectrum and the radial wave functions which are given in terms of Romanovski polynomials are obtained from solution of radial Dirac equation. The angular wave functions and the orbital quantum number are found from angular Dirac equation solution. In non-relativistic limit, the relativistic energy spectrum reduces into non-relativistic energy.

  20. A Solution Space for a System of Null-State Partial Differential Equations: Part 1

    NASA Astrophysics Data System (ADS)

    Flores, Steven M.; Kleban, Peter

    2015-01-01

    This article is the first of four that completely and rigorously characterize a solution space for a homogeneous system of 2 N + 3 linear partial differential equations (PDEs) in 2 N variables that arises in conformal field theory (CFT) and multiple Schramm-Löwner evolution (SLE). In CFT, these are null-state equations and conformal Ward identities. They govern partition functions for the continuum limit of a statistical cluster or loop-gas model, such as percolation, or more generally the Potts models and O( n) models, at the statistical mechanical critical point. (SLE partition functions also satisfy these equations.) For such a lattice model in a polygon with its 2 N sides exhibiting a free/fixed side-alternating boundary condition , this partition function is proportional to the CFT correlation function where the w i are the vertices of and where is a one-leg corner operator. (Partition functions for "crossing events" in which clusters join the fixed sides of in some specified connectivity are linear combinations of such correlation functions.) When conformally mapped onto the upper half-plane, methods of CFT show that this correlation function satisfies the system of PDEs that we consider. In this first article, we use methods of analysis to prove that the dimension of this solution space is no more than C N , the Nth Catalan number. While our motivations are based in CFT, our proofs are completely rigorous. This proof is contained entirely within this article, except for the proof of Lemma 14, which constitutes the second article (Flores and Kleban, in Commun Math Phys, arXiv:1404.0035, 2014). In the third article (Flores and Kleban, in Commun Math Phys, arXiv:1303.7182, 2013), we use the results of this article to prove that the solution space of this system of PDEs has dimension C N and is spanned by solutions constructed with the CFT Coulomb gas (contour integral) formalism. In the fourth article (Flores and Kleban, in Commun Math Phys, arXiv:1405

  1. Time-resolved spectroscopy of the singlet excited state of betanin in aqueous and alcoholic solutions.

    PubMed

    Wendel, Monika; Nizinski, Stanislaw; Tuwalska, Dorota; Starzak, Karolina; Szot, Dominika; Prukala, Dorota; Sikorski, Marek; Wybraniec, Slawomir; Burdzinski, Gotard

    2015-07-21

    The photophysical properties of betanin in aqueous and alcoholic solutions were determined at room temperature using ultrafast UV-vis-NIR transient absorption spectroscopy (λexc = 535 nm). Its S1 → Sn (n > 1) absorption bands appear with maxima at about λ ∼ 450 and 1220 nm. The short betanin S1 state lifetime (6.4 ps in water) is mainly determined by the efficient S1 → S0 radiationless relaxation, probably requiring a strong change in geometry, since the S1 lifetime grows to 27 ps in the more viscous ethylene glycol. The fluorescence quantum yield is very low (Φf ∼ 0.0007 in water), therefore this deactivation path is of minor importance. Other processes, such as S1 → T1 intersystem crossing or photoproduct formation, are virtually absent, since full S0 ← S1 ground state recovery is observed within tens of picoseconds after photoexcitation. The observed fast light-to-heat conversion in the absence of triplet excited state formation supports the idea that betanin is a photoprotector in vivo.

  2. Non stationary pair model in blazar

    NASA Astrophysics Data System (ADS)

    Marcowith, Alexandre; Henri, Gilles; Renaud, Nicolas

    2001-09-01

    This article shortly present an improved version of pair models for X and gamma-ray emission from blazar jets. The radiations are generated through external and synchrotron Inverse Compton mechanisms in the vicinity of a super-massive black hole by an ultra-relativistic electron-positron pair plasma pervading a non-relativistic electron-proton jet (two-flow model). Non stationary solutions are found by solving simultaneously pair creation/annihilation, soft photon absorption and particle acceleration processes along the jet. The power supply necessary to re-accelerate particles is not treated in a self-consistent procedure but parametrised. Pair creation opacity effects can lead to interesting variability effects depending on the X-ray emission regimes. Multi-wavelength observations by INTEGRAL will provide tests for the model, and also for the matter content and variability mechanisms in compact sources.

  3. Stationary properties of maximum-entropy random walks

    NASA Astrophysics Data System (ADS)

    Dixit, Purushottam D.

    2015-10-01

    Maximum-entropy (ME) inference of state probabilities using state-dependent constraints is popular in the study of complex systems. In stochastic systems, how state space topology and path-dependent constraints affect ME-inferred state probabilities remains unknown. To that end, we derive the transition probabilities and the stationary distribution of a maximum path entropy Markov process subject to state- and path-dependent constraints. A main finding is that the stationary distribution over states differs significantly from the Boltzmann distribution and reflects a competition between path multiplicity and imposed constraints. We illustrate our results with particle diffusion on a two-dimensional landscape. Connections with the path integral approach to diffusion are discussed.

  4. Stationary properties of maximum-entropy random walks.

    PubMed

    Dixit, Purushottam D

    2015-10-01

    Maximum-entropy (ME) inference of state probabilities using state-dependent constraints is popular in the study of complex systems. In stochastic systems, how state space topology and path-dependent constraints affect ME-inferred state probabilities remains unknown. To that end, we derive the transition probabilities and the stationary distribution of a maximum path entropy Markov process subject to state- and path-dependent constraints. A main finding is that the stationary distribution over states differs significantly from the Boltzmann distribution and reflects a competition between path multiplicity and imposed constraints. We illustrate our results with particle diffusion on a two-dimensional landscape. Connections with the path integral approach to diffusion are discussed.

  5. GEL-STATE NMR OF BALL-MILLED WHOLE CELL WALLS IN DMSO-d6 USING 2D SOLUTION-STATE NMR SPECTROSCOPY

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Plant cell walls were used for obtaining 2D solution-state NMR spectra without actual solubilization or structural modification. Ball-milled whole cell walls were swelled directly in the NMR tube with DMSO-d6 where they formed a gel. There are relatively few gel-state NMR studies. Most have involved...

  6. Analysis of lasers as a solution to efficiency droop in solid-state lighting

    SciTech Connect

    Chow, Weng W.; Crawford, Mary H.

    2015-10-06

    This letter analyzes the proposal to mitigate the efficiency droop in solid-state light emitters by replacing InGaN light-emitting diodes (LEDs) with lasers. The argument in favor of this approach is that carrier-population clamping after the onset of lasing limits carrier loss to that at threshold, while stimulated emission continues to grow with injection current. A fully quantized (carriers and light) theory that is applicable to LEDs and lasers (above and below threshold) is used to obtain a quantitative evaluation. The results confirm the potential advantage of higher laser output power and efficiency above lasing threshold, while also indicating disadvantages including low efficiency prior to lasing onset, sensitivity of lasing threshold to temperature, and the effects of catastrophic laser failure. As a result, a solution to some of these concerns is suggested that takes advantage of recent developments in nanolasers.

  7. Analysis of lasers as a solution to efficiency droop in solid-state lighting

    DOE PAGESBeta

    Chow, Weng W.; Crawford, Mary H.

    2015-10-06

    This letter analyzes the proposal to mitigate the efficiency droop in solid-state light emitters by replacing InGaN light-emitting diodes (LEDs) with lasers. The argument in favor of this approach is that carrier-population clamping after the onset of lasing limits carrier loss to that at threshold, while stimulated emission continues to grow with injection current. A fully quantized (carriers and light) theory that is applicable to LEDs and lasers (above and below threshold) is used to obtain a quantitative evaluation. The results confirm the potential advantage of higher laser output power and efficiency above lasing threshold, while also indicating disadvantages includingmore » low efficiency prior to lasing onset, sensitivity of lasing threshold to temperature, and the effects of catastrophic laser failure. As a result, a solution to some of these concerns is suggested that takes advantage of recent developments in nanolasers.« less

  8. Solution to Shape Identification of Steady-state Viscous Flow Fields to Prescribe Flow Velocity Distribution

    NASA Astrophysics Data System (ADS)

    Katamine, Eiji; Kanai, Ryoma

    2015-11-01

    This paper presents a numerical solution to shape identification problem of steady-state viscous flow fields. In this study, a shape identification problem is formulated for flow velocity distribution prescribed problem, while the total dissipated energy is constrained to less than a desired value, in the viscous flow field. The square error integral between the actual flow velocity distributions and the prescribed flow velocity distributions in the prescribed sub-domains is used as the objective functional. Shape gradient of the shape identification problem is derived theoretically using the Lagrange multiplier method, adjoint variable method, and the formulae of the material derivative. Reshaping is carried out by the traction method proposed as an approach to solving shape optimization problems. The validity of proposed method is confirmed by results of 2D numerical analysis.

  9. Photon emission via surface state at the gold/acetonitrile solution interface

    SciTech Connect

    Uosaki, Kohei; Murakoshi, Kei; Kita, Hideaki )

    1991-01-24

    The emission of light caused by an electron-transfer reaction at a gold electrode in acetonitrile solution containing one of three redox species (benzophenone, trans-stilbene, and benzonitrile) with different redox potentials was studied. The high-energy threshold of the spectrum decreases linearly as the potential of the gold electrode becomes more negative. The peak position with respect to the high-energy threshold of the spectrum varies with electrode potential and is not affected by the redox potential of the electron injection species at the same electrode potential. The emission efficiency also depends on the potential. From these results, the authors proposed that the emission is due to a charge-transfer reaction inverse photoemission (CTRIP) process that takes place via a surface state.

  10. Investigating the mechanisms of amylolysis of starch granules by solution-state NMR.

    PubMed

    Baldwin, Andrew J; Egan, Danielle L; Warren, Fredrick J; Barker, Paul D; Dobson, Christopher M; Butterworth, Peter J; Ellis, Peter R

    2015-05-11

    Starch is a prominent component of the human diet and is hydrolyzed by α-amylase post-ingestion. Probing the mechanism of this process has proven challenging, due to the intrinsic heterogeneity of individual starch granules. By means of solution-state NMR, we demonstrate that flexible polysaccharide chains protruding from the solvent-exposed surfaces of waxy rice starch granules are highly mobile and that during hydrothermal treatment, when the granules swell, the number of flexible residues on the exposed surfaces increases by a factor of 15. Moreover, we show that these flexible chains are the primary substrates for α-amylase, being cleaved in the initial stages of hydrolysis. These findings allow us to conclude that the quantity of flexible α-glucan chains protruding from the granule surface will greatly influence the rate of energy acquisition from digestion of starch.

  11. Solution of steady-state, two-dimensional conservation laws by mathematical programming

    NASA Technical Reports Server (NTRS)

    Lavery, John E.

    1991-01-01

    A truly two-dimensional algorithm is created for solving the steady-state two-dimensional conservation-law problem. An overdetermined system of algebraic equations is obtained through discretization by finite-volume formulas. These equations are perturbed nonsingularly and are solved by an efficient geometrically oriented l(1) procedure. The basic algorithm and the theory for the linear case f(u) = u are presented, and computational results for the nonlinear case f(u) = sq u are also analyzed. It is noted that the l(1) procedure captures boundary shocks as well as oblige and zigzag interior shocks in bands that are one cell wide, and the solution values are accurate up to the edge of the shock.

  12. Limitations and Extensions of the Lock-and-Key Principle: Differences between Gas State, Solution and Solid State Structures

    PubMed Central

    Schneider, Hans-Jörg

    2015-01-01

    The lock-and-key concept is discussed with respect to necessary extensions. Formation of supramolecular complexes depends not only, and often not even primarily on an optimal geometric fit between host and guest. Induced fit and allosteric interactions have long been known as important modifications. Different binding mechanisms, the medium used and pH effects can exert a major influence on the affinity. Stereoelectronic effects due to lone pair orientation can lead to variation of binding constants by orders of magnitude. Hydrophobic interactions due to high-energy water inside cavities modify the mechanical lock-and-key picture. That optimal affinities are observed if the cavity is only partially filled by the ligand can be in conflict with the lock-and-key principle. In crystals other forces than those between host and guest often dominate, leading to differences between solid state and solution structures. This is exemplified in particular with calixarene complexes, which by X-ray analysis more often than other hosts show guest molecules outside their cavity. In view of this the particular problems with the identification of weak interactions in crystals is discussed. PMID:25815592

  13. A globally convergent algorithm for the solution of the steady-state semiconductor device equations

    NASA Astrophysics Data System (ADS)

    Korman, Can E.; Mayergoyz, Isaak D.

    1990-08-01

    An iterative method for solving the discretized steady-state semiconductor device equations is presented. This method uses Gummel's block iteration technique to decouple the nonlinear Poisson and electron-hole current continuity equations. However, the main feature of this method is that it takes advantage of the diagonal nonlinearity of the discretized equations, and solves each equation iteratively by using the nonlinear Jacobi method. Using the fact that the diagonal nonlinearities are monotonically increasing functions, it is shown that this method has two important advantages. First, it has global convergence, i.e., convergence is guaranteed for any initial guess. Second, the solution of simultaneous algebraic equations is avoided by updating the value of the electrostatic and quasi-Fermi potentials at each mesh point by means of explicit formulae. This allows the implementation of this method on computers with small random access memories, such as personal computers, and also makes it very attractive to use on parallel processor machines. Furthermore, for serial computations, this method is generalized to the faster nonlinear successive overrelaxation method which has global convergence as well. The iterative solution of the nonlinear Poisson equation is formulated with energy- and position-dependent interface traps. It is shown that the iterative method is globally convergent for arbitrary distributions of interface traps. This is an important step in analyzing hot-electron effects in metal-oxide-silicon field-effect transistors (MOSFETs). Various numerical results on two- and three-dimensional MOSFET geometries are presented as well.

  14. State of the Art in LP-WAN Solutions for Industrial IoT Services.

    PubMed

    Sanchez-Iborra, Ramon; Cano, Maria-Dolores

    2016-05-17

    The emergence of low-cost connected devices is enabling a new wave of sensorization services. These services can be highly leveraged in industrial applications. However, the technologies employed so far for managing this kind of system do not fully cover the strict requirements of industrial networks, especially those regarding energy efficiency. In this article a novel paradigm, called Low-Power Wide Area Networking (LP-WAN), is explored. By means of a cellular-type architecture, LP-WAN-based solutions aim at fulfilling the reliability and efficiency challenges posed by long-term industrial networks. Thus, the most prominent LP-WAN solutions are reviewed, identifying and discussing the pros and cons of each of them. The focus is also on examining the current deployment state of these platforms in Spain. Although LP-WAN systems are at early stages of development, they represent a promising alternative for boosting future industrial IIoT (Industrial Internet of Things) networks and services.

  15. State of the Art in LP-WAN Solutions for Industrial IoT Services

    PubMed Central

    Sanchez-Iborra, Ramon; Cano, Maria-Dolores

    2016-01-01

    The emergence of low-cost connected devices is enabling a new wave of sensorization services. These services can be highly leveraged in industrial applications. However, the technologies employed so far for managing this kind of system do not fully cover the strict requirements of industrial networks, especially those regarding energy efficiency. In this article a novel paradigm, called Low-Power Wide Area Networking (LP-WAN), is explored. By means of a cellular-type architecture, LP-WAN–based solutions aim at fulfilling the reliability and efficiency challenges posed by long-term industrial networks. Thus, the most prominent LP-WAN solutions are reviewed, identifying and discussing the pros and cons of each of them. The focus is also on examining the current deployment state of these platforms in Spain. Although LP-WAN systems are at early stages of development, they represent a promising alternative for boosting future industrial IIoT (Industrial Internet of Things) networks and services. PMID:27196909

  16. Fabrication and Performance of All-Solid-State Chloride Sensors in Synthetic Concrete Pore Solutions

    PubMed Central

    Gao, Xiaojian; Zhang, Jian; Yang, Yingzi; Deng, Hongwei

    2010-01-01

    One type of all-solid-state chloride sensor was fabricated using a MnO2 electrode and a Ag/AgCl electrode. The potentiometric response of the sensor to chloride in synthetic concrete pore solutions was systematically studied, and the polarization performance was also evaluated. The results show a good linear relationship between the potential reading of the sensor and the logarithm of chloride activity (concentration ranges from 0.05 to 5.0 M), and the potential value remains stable with increasing immersion time. The existence of K+, Ca2+, Na+ and SO42− ions have little influence on the potentiometric response of the sensor to chloride, but the pH has a significant influence on the potential value of the sensor at low chloride concentration. The potential reading of the sensor increases linearly with the solution temperature over the range from 5 to 45 °C. Meanwhile, an excellent polarization behavior is proven by galvanostatic and potentiodynamic tests. All of the results reveal that the developed sensor has a great potential for monitoring chloride ions in concrete environments. PMID:22163467

  17. Vacuum-drying of maltodextrin aqueous solutions with ethanol in a foamed state

    SciTech Connect

    Kumazawa, E. ); Ido, K. ); Toei, R.; Okazaki, M. )

    1990-01-01

    This paper reports on an aqueous maltodextrin solution in a foamed state with ethanol as a model aroma component, vacuum-dried with radiative heat. A vacuum chamber was made in which the weight and temperature of the material on a belt were measured during the drying process. While measuring the drying rate, the material temperature and the retention of aroma, the effect of the drying conditions on the aroma retention were experimentally studied. Numerical solutions were obtained during the drying process by solving simultaneously two partial differential equations regarding heat and mass transfer. The drying rate depends on the heating temperature, the belt loading, and the initial total solids. Even when heated at a temperature of 150{degrees}C for 30 minutes, the experimentally measured aroma retention is over 65 percent for initial total solids exceeding 70 percent. A satisfactory agreement between the observed and the simulated values were obtained. This analytical model would appear to be useful for setting optimum drying conditions for practical vacuum dryers.

  18. State of the Art in LP-WAN Solutions for Industrial IoT Services.

    PubMed

    Sanchez-Iborra, Ramon; Cano, Maria-Dolores

    2016-01-01

    The emergence of low-cost connected devices is enabling a new wave of sensorization services. These services can be highly leveraged in industrial applications. However, the technologies employed so far for managing this kind of system do not fully cover the strict requirements of industrial networks, especially those regarding energy efficiency. In this article a novel paradigm, called Low-Power Wide Area Networking (LP-WAN), is explored. By means of a cellular-type architecture, LP-WAN-based solutions aim at fulfilling the reliability and efficiency challenges posed by long-term industrial networks. Thus, the most prominent LP-WAN solutions are reviewed, identifying and discussing the pros and cons of each of them. The focus is also on examining the current deployment state of these platforms in Spain. Although LP-WAN systems are at early stages of development, they represent a promising alternative for boosting future industrial IIoT (Industrial Internet of Things) networks and services. PMID:27196909

  19. Hawking radiation of stationary and non-stationary Kerr-de Sitter black holes

    NASA Astrophysics Data System (ADS)

    Singh, T. Ibungochouba

    2015-07-01

    Hawking radiation of the stationary Kerr-de Sitter black hole is investigated using the relativistic Hamilton-Jacobi method. Meanwhile, extending this work to a non-stationary black hole using Dirac equations and generalized tortoise coordinate transformation, we derived the locations, the temperature of the thermal radiation as well as the maximum energy of the non-thermal radiation. It is found that the surface gravity and the Hawking temperature depend on both time and different angles. An extra coupling effect is obtained in the thermal radiation spectrum of Dirac particles which is absent from thermal radiation of scalar particles. Further, the chemical potential derived from the thermal radiation spectrum of scalar particle has been found to be equal to the highest energy of the negative energy state of the scalar particle in the non-thermal radiation for the Kerr-de Sitter black hole. It is also shown that for stationary black hole space time, these two different methods give the same Hawking radiation temperature.

  20. Conflicts between sandhill cranes and farmers in the western United States: evolving issues and solutions

    USGS Publications Warehouse

    Austin, Jane E.

    2012-01-01

    The main conflicts between Sandhill Cranes (Grus canadensis) and farmers in western United States occur in the Rocky Mountain region during migration and wintering periods. Most crop damage by cranes occurs in mature wheat (Triticum aestivum) and barley (Hordeum vulgare), young shoots of alfalfa (Medicago sativa) and cereal grains, chilies (Capsicum annuum), and silage corn (Zea mays). Damage is related to proximity of crop fields to roost sites and timing of crane concentrations relative to crop maturity or vulnerability. The evolution of conflicts between farmers and cranes and current solutions are described for two areas of the Rocky Mountains used by staging, migrating, or wintering cranes: Grays Lake, Idaho, and the Middle Rio Grande Valley, New Mexico. In both areas, conflicts with growing crane populations were aggravated by losses of wetlands and cropland, proximity of crops to roosts and other wetland areas, changing crop types and practices, and increasing urbanization. At Grays Lake, fall-staging cranes damaged barley fields near an important breeding refuge as well as fields 15-50 km away. In the Middle Rio Grande Valley, migrating and wintering cranes damaged young alfalfa fields, chilies, and silage corn. Solutions in both areas have been addressed through cooperative efforts among federal and state agencies, that manage wetlands and croplands to increase food availability and carrying capacity on public lands, provide hazing programs for private landowners, and strategically target crane hunting to problem areas. Sustaining the success of these programs will be challenging. Areas important to Sandhill Cranes in the western United Sates experience continued loss of habitat and food resources due to urbanization, changes in agricultural crops and practices, and water-use conflicts, which threaten the abilities of both public and private landowners to manage wetlands and croplands for cranes. Conservation of habitats and water resources are important

  1. Excited state intramolecular charge transfer reaction in nonaqueous electrolyte solutions: Temperature dependence

    NASA Astrophysics Data System (ADS)

    Pradhan, Tuhin; Gazi, Harun Al Rasid; Biswas, Ranjit

    2009-08-01

    Temperature dependence of the excited state intramolecular charge transfer reaction of 4-(1-azetidinyl)benzonitrile (P4C) in ethyl acetate (EA), acetonitrile (ACN), and ethanol at several concentrations of lithium perchlorate (LiClO4) has been investigated by using the steady state and time resolved fluorescence spectroscopic techniques. The temperature range considered is 267-343 K. The temperature dependent spectral peak shifts and reaction driving force (-ΔGr) in electrolyte solutions of these solvents can be explained qualitatively in terms of interaction between the reactant molecule and ion-atmosphere. Time resolved studies indicate that the decay kinetics of P4C is biexponential, regardless of solvents, LiClO4 concentrations, and temperatures considered. Except at higher electrolyte concentrations in EA, reaction rates in solutions follow the Arrhenius-type temperature dependence where the estimated activation energy exhibits substantial electrolyte concentration dependence. The average of the experimentally measured activation energies in these three neat solvents is found to be in very good agreement with the predicted value based on data in room temperature solvents. While the rate constant in EA shows a electrolyte concentration induced parabolic dependence on reaction driving force (-ΔGr), the former in ethanol and ACN increases only linearly with the increase in driving force (-ΔGr). The data presented here also indicate that the step-wise increase in solvent reorganization energy via sequential addition of electrolyte induces the ICT reaction in weakly polar solvents to crossover from the Marcus inverted region to the normal region.

  2. Immunoassay of paralytic shellfish toxins by moving magnetic particles in a stationary liquid-phase lab-on-a-chip.

    PubMed

    Kim, Myoung-Ho; Choi, Suk-Jung

    2015-04-15

    In this study, we devised a stationary liquid-phase lab-on-a-chip (SLP LOC), which was operated by moving solid-phase magnetic particles in the stationary liquid phase. The SLP LOC consisted of a sample chamber to which a sample and reactants were added, a detection chamber containing enzyme substrate solution, and a narrow channel connecting the two chambers and filled with buffer. As a model system, competitive immunoassays of saxitoxin (STX), a paralytic shellfish toxin, were conducted in the SLP LOC using protein G-coupled magnetic particles (G-MPs) as the solid phase. Anti-STX antibodies, STX-horseradish peroxidase conjugate, G-MPs, and a STX sample were added to the sample chamber and reacted by shaking. While liquids were in the stationary state, G-MPs were transported from the sample chamber to the detection chamber by moving a magnet below the LOC. After incubation to allow the enzymatic reaction to occur, the absorbance of the detection chamber solution was found to be reciprocally related to the STX concentration of the sample. Thus, the SLP LOC may represent a novel, simple format for point-of-care testing applications of enzyme-linked immunosorbent assays by eliminating complicated liquid handling steps.

  3. High efficiency stationary hydrogen storage

    SciTech Connect

    Hynek, S.; Fuller, W.; Truslow, S.

    1995-09-01

    Stationary storage of hydrogen permits one to make hydrogen now and use it later. With stationary hydrogen storage, one can use excess electrical generation capacity to power an electrolyzer, and store the resultant hydrogen for later use or transshipment. One can also use stationary hydrogen as a buffer at fueling stations to accommodate non-steady fueling demand, thus permitting the hydrogen supply system (e.g., methane reformer or electrolyzer) to be sized to meet the average, rather than the peak, demand. We at ADL designed, built, and tested a stationary hydrogen storage device that thermally couples a high-temperature metal hydride to a phase change material (PCM). The PCM captures and stores the heat of the hydriding reaction as its own heat of fusion (that is, it melts), and subsequently returns that heat of fusion (by freezing) to facilitate the dehydriding reaction. A key component of this stationary hydrogen storage device is the metal hydride itself. We used nickel-coated magnesium powder (NCMP) - magnesium particles coated with a thin layer of nickel by means of chemical vapor deposition (CVD). Magnesium hydride can store a higher weight fraction of hydrogen than any other practical metal hydride, and it is less expensive than any other metal hydride. We designed and constructed an experimental NCM/PCM reactor out of 310 stainless steel in the form of a shell-and-tube heat exchanger, with the tube side packed with NCMP and the shell side filled with a eutectic mixture of NaCL, KCl, and MgCl{sub 2}. Our experimental results indicate that with proper attention to limiting thermal losses, our overall efficiency will exceed 90% (DOE goal: >75%) and our overall system cost will be only 33% (DOE goal: <50%) of the value of the delivered hydrogen. It appears that NCMP can be used to purify hydrogen streams and store hydrogen at the same time. These prospects make the NCMP/PCM reactor an attractive component in a reformer-based hydrogen fueling station.

  4. Realization of quantum SWAP gate between flying and stationary qubits

    SciTech Connect

    Liang Linmei; Li Chengzu

    2005-08-15

    This paper presents a scheme to realize the SWAP gate between flying and stationary qubits through cavity QED, which is a necessary condition for networkability of quantum computation. As application, the storage of quantum information and teleportation of atomic and ionic states are present.

  5. Solution and Solid-State Studies of DNA-Programmable Nanoparticle Single Crystals

    NASA Astrophysics Data System (ADS)

    Auyeung, Evelyn

    This thesis lays the foundation for three main areas that have significantly advanced the field of DNA-programmable nanoparticle assembly: (1) the synthesis of nanoparticle superlattices with novel lattice symmetries (2) post-assembly characterization and applications of superlattices that have been transferred from solution to the solid state and (3) the realization of a slow-cooling strategy for synthesizing faceted nanoparticle single crystals. Together, these advances mark a turning point in the evolution of DNA-programmable assembly from a simple proof-of-concept demonstrated in 1996 to a powerful materials development strategy that has inspired many ongoing investigations in fields including catalysis, plasmonics, and electronics. Chapter 1 begins with an overview of controlled crystallization and its importance across fields including chemistry and materials science. This followed by a description of DNA-programmable assembly and a discussion on its advantages as an assembly strategy. Chapter 2 describes a powerful strategy for synthesizing nanoparticle superlattices using a coreless nanoparticle consisting purely of spherically-oriented oligonucleotides. This "three dimensional spacer approach" allows for the synthesis of nanoparticle superlattices with exotic structures, including one with no mineral equivalent. While DNA is a versatile ligand for nanoparticle assembly, the resulting superlattices are only stable in solution. Chapter 3 addresses these limitations and presents a method for transitioning these materials from solution to the solid state through silica encapsulation. This encapsulation process has transformed the ability to interrogate these materials using electron microscopy, and it has enabled all the studies in subsequent chapters of this thesis. In Chapter 4, a slow-cooling crystallization technique is described that allows for the synthesis of single crystalline microcrystals with well-defined facets from DNA-nanoparticle building blocks

  6. A Solution Space for a System of Null-State Partial Differential Equations: Part 4

    NASA Astrophysics Data System (ADS)

    Flores, Steven M.; Kleban, Peter

    2015-01-01

    This article is the last of four that completely and rigorously characterize a solution space for a homogeneous system of 2 N + 3 linear partial differential equations in 2 N variables that arises in conformal field theory (CFT) and multiple Schramm-Löwner evolution (SLE). The system comprises 2 N null-state equations and three conformal Ward identities that govern CFT correlation functions of 2 N one-leg boundary operators. In the first two articles (Flores and Kleban in Commun Math Phys, 2012; Flores and Kleban, in Commun Math Phys, 2014), we use methods of analysis and linear algebra to prove that dim , with C N the Nth Catalan number. Using these results in the third article (Flores and Kleban, in Commun Math Phys, 2013), we prove that dim and is spanned by (real-valued) solutions constructed with the Coulomb gas (contour integral) formalism of CFT. In this article, we use these results to prove some facts concerning the solution space . First, we show that each of its elements equals a sum of at most two distinct Frobenius series in powers of the difference between two adjacent points (unless is odd, in which case a logarithmic term may appear). This establishes an important element in the operator product expansion for one-leg boundary operators, assumed in CFT. We also identify particular elements of , which we call connectivity weights, and exploit their special properties to conjecture a formula for the probability that the curves of a multiple-SLE process join in a particular connectivity. This leads to new formulas for crossing probabilities of critical lattice models inside polygons with a free/fixed side-alternating boundary condition, which we derive in Flores et al. (Partition functions and crossing probabilities for critical systems inside polygons, in preparation). Finally, we propose a reason for why the exceptional speeds [certain values that appeared in the analysis of the Coulomb gas solutions in Flores and Kleban (Commun Math Phys, 2013)] and

  7. STATE-SPACE SOLUTIONS TO THE DYNAMIC MAGNETOENCEPHALOGRAPHY INVERSE PROBLEM USING HIGH PERFORMANCE COMPUTING

    PubMed Central

    Long, Christopher J.; Purdon, Patrick L.; Temereanca, Simona; Desai, Neil U.; Hämäläinen, Matti S.; Brown, Emery N.

    2011-01-01

    Determining the magnitude and location of neural sources within the brain that are responsible for generating magnetoencephalography (MEG) signals measured on the surface of the head is a challenging problem in functional neuroimaging. The number of potential sources within the brain exceeds by an order of magnitude the number of recording sites. As a consequence, the estimates for the magnitude and location of the neural sources will be ill-conditioned because of the underdetermined nature of the problem. One well-known technique designed to address this imbalance is the minimum norm estimator (MNE). This approach imposes an L2 regularization constraint that serves to stabilize and condition the source parameter estimates. However, these classes of regularizer are static in time and do not consider the temporal constraints inherent to the biophysics of the MEG experiment. In this paper we propose a dynamic state-space model that accounts for both spatial and temporal correlations within and across candidate intra-cortical sources. In our model, the observation model is derived from the steady-state solution to Maxwell's equations while the latent model representing neural dynamics is given by a random walk process. We show that the Kalman filter (KF) and the Kalman smoother [also known as the fixed-interval smoother (FIS)] may be used to solve the ensuing high-dimensional state-estimation problem. Using a well-known relationship between Bayesian estimation and Kalman filtering, we show that the MNE estimates carry a significant zero bias. Calculating these high-dimensional state estimates is a computationally challenging task that requires High Performance Computing (HPC) resources. To this end, we employ the NSF Teragrid Supercomputing Network to compute the source estimates. We demonstrate improvement in performance of the state-space algorithm relative to MNE in analyses of simulated and actual somatosensory MEG experiments. Our findings establish the benefits

  8. An exact solution for the steady state phase distribution in an array of oscillators coupled on a hexagonal lattice

    NASA Technical Reports Server (NTRS)

    Pogorzelski, Ronald J.

    2004-01-01

    When electronic oscillators are coupled to nearest neighbors to form an array on a hexagonal lattice, the planar phase distributions desired for excitation of a phased array antenna are not steady state solutions of the governing non-linear equations describing the system. Thus the steady state phase distribution deviates from planar. It is shown to be possible to obtain an exact solution for the steady state phase distribution and thus determine the deviation from the desired planar distribution as a function of beam steering angle.

  9. c-Abl Tyrosine Kinase Adopts Multiple Active Conformational States in Solution.

    PubMed

    Badger, John; Grover, Prerna; Shi, Haibin; Panjarian, Shoghag B; Engen, John R; Smithgall, Thomas E; Makowski, Lee

    2016-06-14

    Protein tyrosine kinases of the Abl family have diverse roles in normal cellular regulation and drive several forms of leukemia as oncogenic fusion proteins. In the crystal structure of the inactive c-Abl kinase core, the SH2 and SH3 domains dock onto the back of the kinase domain, resulting in a compact, assembled state. This inactive conformation is stabilized by the interaction of the myristoylated N-cap with a pocket in the C-lobe of the kinase domain. Mutations that perturb these intramolecular interactions result in kinase activation. Here, we present X-ray scattering solution structures of multidomain c-Abl kinase core proteins modeling diverse active states. Surprisingly, the relative positions of the regulatory N-cap, SH3, and SH2 domains in an active myristic acid binding pocket mutant (A356N) were virtually identical to those of the assembled wild-type kinase core, indicating that Abl kinase activation does not require dramatic reorganization of the downregulated core structure. In contrast, the positions of the SH2 and SH3 domains in a clinically relevant imatinib-resistant gatekeeper mutant (T315I) appear to be reconfigured relative to their positions in the wild-type protein. Our results demonstrate that c-Abl kinase activation can occur either with (T315I) or without (A356N) global allosteric changes in the core, revealing the potential for previously unrecognized signaling diversity. PMID:27166638

  10. Molecular dynamics of excited state intramolecular proton transfer: 3-hydroxyflavone in solution

    SciTech Connect

    Bellucci, Michael A.; Coker, David F.

    2012-05-21

    The ultrafast enol-keto photoisomerization in the lowest singlet excited state of 3-hydroxyflavone is investigated using classical molecular dynamics in conjunction with empirical valence bond (EVB) potentials for the description of intramolecular interactions, and a molecular mechanics and variable partial charge model, dependent on transferring proton position, for the description of solute-solvent interactions. A parallel multi-level genetic program was used to accurately fit the EVB potential energy surfaces to high level ab initio data. We have studied the excited state intramolecular proton transfer (ESIPT) reaction in three different solvent environments: methylcyclohexane, acetonitrile, and methanol. The effects of the environment on the proton transfer time and the underlying mechanisms responsible for the varied time scales of the ESIPT reaction rates are analyzed. We find that simulations with our EVB potential energy surfaces accurately reproduce experimentally determined reaction rates, fluorescence spectra, and vibrational frequency spectra in all three solvents. Furthermore, we find that the ultrafast ESIPT process results from a combination of ballistic transfer, and intramolecular vibrational redistribution, which leads to the excitation of a set of low frequency promoting vibrational modes. From this set of promoting modes, we find that an O-O in plane bend and a C-H out of plane bend are present in all three solvents, indicating that they are fundamental to the ultrafast proton transfer. Analysis of the slow proton transfer trajectories reveals a solvent mediated proton transfer mechanism, which is diffusion limited.

  11. Supramolecular stabilization of metastable tautomers in solution and the solid state.

    PubMed

    Juribašić, Marina; Bregović, Nikola; Stilinović, Vladimir; Tomišić, Vladislav; Cindrić, Marina; Sket, Primož; Plavec, Janez; Rubčić, Mirta; Užarević, Krunoslav

    2014-12-22

    This work presents a successful application of a recently reported supramolecular strategy for stabilization of metastable tautomers in cocrystals to monocomponent, non-heterocyclic, tautomeric solids. Quantum-chemical computations and solution studies show that the investigated Schiff base molecule, derived from 3-methoxysalicylaldehyde and 2-amino-3-hydroxypyridine (ap), is far more stable as the enol tautomer. In the solid state, however, in all three obtained polymorphic forms it exists solely as the keto tautomer, in each case stabilized by an unexpected hydrogen-bonding pattern. Computations have shown that hydrogen bonding of the investigated Schiff base with suitable molecules shifts the tautomeric equilibrium to the less stable keto form. The extremes to which supramolecular stabilization can lead are demonstrated by the two polymorphs of molecular complexes of the Schiff base with ap. The molecules of both constituents of molecular complexes are present as metastable tautomers (keto anion and protonated pyridine, respectively), which stabilize each other through a very strong hydrogen bond. All the obtained solid forms proved stable in various solid-state and solvent-mediated methods used to establish their relative thermodynamic stabilities and possible interconversion conditions.

  12. c-Abl Tyrosine Kinase Adopts Multiple Active Conformational States in Solution

    PubMed Central

    2016-01-01

    Protein tyrosine kinases of the Abl family have diverse roles in normal cellular regulation and drive several forms of leukemia as oncogenic fusion proteins. In the crystal structure of the inactive c-Abl kinase core, the SH2 and SH3 domains dock onto the back of the kinase domain, resulting in a compact, assembled state. This inactive conformation is stabilized by the interaction of the myristoylated N-cap with a pocket in the C-lobe of the kinase domain. Mutations that perturb these intramolecular interactions result in kinase activation. Here, we present X-ray scattering solution structures of multidomain c-Abl kinase core proteins modeling diverse active states. Surprisingly, the relative positions of the regulatory N-cap, SH3, and SH2 domains in an active myristic acid binding pocket mutant (A356N) were virtually identical to those of the assembled wild-type kinase core, indicating that Abl kinase activation does not require dramatic reorganization of the downregulated core structure. In contrast, the positions of the SH2 and SH3 domains in a clinically relevant imatinib-resistant gatekeeper mutant (T315I) appear to be reconfigured relative to their positions in the wild-type protein. Our results demonstrate that c-Abl kinase activation can occur either with (T315I) or without (A356N) global allosteric changes in the core, revealing the potential for previously unrecognized signaling diversity. PMID:27166638

  13. 40 CFR 1048.20 - What requirements from this part apply to excluded stationary engines?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... is excluded under § 1048.1(c) as a stationary engine and is not required by 40 CFR part 60, subpart... engine power. (4) State: “THIS ENGINE IS EXCLUDED FROM THE REQUIREMENTS OF 40 CFR PART 1048 AS A “STATIONARY ENGINE” AND THE OWNER/OPERATOR MUST COMPLY WITH THE REQUIREMENTS OF 40 CFR PART 60. INSTALLING...

  14. 40 CFR 1048.20 - What requirements from this part apply to excluded stationary engines?

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... is excluded under § 1048.1(c) as a stationary engine and is not required by 40 CFR part 60, subpart... engine power. (4) State: “THIS ENGINE IS EXCLUDED FROM THE REQUIREMENTS OF 40 CFR PART 1048 AS A “STATIONARY ENGINE” AND THE OWNER/OPERATOR MUST COMPLY WITH THE REQUIREMENTS OF 40 CFR PART 60. INSTALLING...

  15. INCA: a computational platform for isotopically non-stationary metabolic flux analysis

    PubMed Central

    2014-01-01

    Summary: 13C flux analysis studies have become an essential component of metabolic engineering research. The scope of these studies has gradually expanded to include both isotopically steady-state and transient labeling experiments, the latter of which are uniquely applicable to photosynthetic organisms and slow-to-label mammalian cell cultures. Isotopomer network compartmental analysis (INCA) is the first publicly available software package that can perform both steady-state metabolic flux analysis and isotopically non-stationary metabolic flux analysis. The software provides a framework for comprehensive analysis of metabolic networks using mass balances and elementary metabolite unit balances. The generation of balance equations and their computational solution is completely automated and can be performed on networks of arbitrary complexity. Availability and implementation: MATLAB p-code files are freely available for non-commercial use and can be downloaded at http://mfa.vueinnovations.com. Commercial licenses are also available. Contact: j.d.young@vanderbilt.edu PMID:24413674

  16. Excited state polarizabilities in solution obtained by cubic response theory: Calculations on para-, ortho-, and meta-nitroaniline

    NASA Astrophysics Data System (ADS)

    Jonsson, Dan; Norman, Patrick; Ågren, Hans; Luo, Yi; Sylvester-Hvid, Kristian O.; Mikkelsen, Kurt V.

    1998-10-01

    We show that response theory implemented with a self-consistent reaction field theory model is a viable approach to simulate excited state polarizabilities of molecules in solution. The excited state polarizabilities are in this approach given by the double residue of the ground state cubic response functions, accounting for both equilibrium and nonequilibrium contributions to the interaction with the outer medium. The effects of the inertial polarization of the solvent on the polarizabilities of the solutes are shown to strongly depend on the solvent configuration, whether the solvent is in equilibrium or in nonequilibrium with the charge distribution of the investigated compound. The inertial polarization vector in the nonequilibrium solvent configuration represents the equilibrated solvent configuration when solvating the ground state of the solute. This inertial polarization vector is not in equilibrium with any of the excited states and therefore one observes a rather different behavior between nonequilibrium and equilibrium solvent descriptions of the solute. Illustrative calculations are presented for para-, meta-, and ortho-nitroanilines in gas and solution phases. Results have been compared with experimental data where available.

  17. Multimerization of solution-state proteins by tetrakis(4-sulfonatophenyl)porphyrin.

    PubMed

    Kokhan, Oleksandr; Ponomarenko, Nina; Pokkuluri, P Raj; Schiffer, Marianne; Tiede, David M

    2014-08-12

    Surface binding and interactions of anionic porphyins bound to cationic proteins have been studied for nearly three decades and are relevant as models for protein surface molecular recognition and photoinitiated electron transfer. However, interpretation of data in nearly all reports explicitly or implicitly assumed interaction of porphyrin with monodisperse proteins in solutions. In this report, using small-angle X-ray scattering with solution phase samples, we demonstrate that horse heart cytochrome (cyt) c, triheme cytochrome c7 PpcA from Geobacter sulfurreducens, and hen egg lysozyme multimerize in the presence of zinc tetrakis(4-sulfonatophenyl)porphyrin (ZnTPPS). Multimerization of cyt c showed a pH dependence with a stronger apparent binding affinity under alkaline conditions and was weakened in the presence of a high salt concentration. Ferric-cyt c formed complexes larger than those formed by ferro-cyt c. Free base TPPS and FeTPPS facilitated formation of complexes larger than those of ZnTPPS. No increase in protein aggregation state for cationic proteins was observed in the presence of cationic porphyrins. All-atom molecular dynamics simulations of cyt c and PpcA with free base TPPS corroborated X-ray scattering results and revealed a mechanism by which the tetrasubstituted charged porphyrins serve as bridging ligands nucleating multimerization of the complementarily charged protein. The final aggregation products suggest that multimerization involves a combination of electrostatic and hydrophobic interactions. The results demonstrate an overlooked complexity in the design of multifunctional ligands for protein surface recognition. PMID:25028772

  18. Marshak Lectureship Talk: Women in Physics in the Baltic States Region: Problems and Solutions

    NASA Astrophysics Data System (ADS)

    Satkovskiene, Dalia

    2008-03-01

    In this contribution the gender equality problem in physics will be discussed on the basis of the results obtained implementing the project ``Baltic States Network: Women in Sciences and High Technology'' (BASNET) initiated by Lithuanian women physicists and financed by European Commission. The main goal of BASNET project was creation of the regional Strategy how to deal with women in sciences problem in the Baltic States. It has some stages and the contribution follows them. The first one was in depth sociological study aiming to find out disincentives and barriers women scientists face in their career and work at science and higher education institutions. Analysis of results revealed wide range of problems concerned with science organization, management and financing common for both counterparts. However it also proved the existence of women discrimination in sciences. As main factors influencing women under-representation in Physics was found: the stereotypes existing in the society where physics is assigned to the masculine area of activity; failings of the science management system, where highest positions are distributed not using the institutionalized objective criteria but by voting, where the correctness of majority solutions is anticipated implicitly. In physics where male scientists are the majority (they also usually compose executive boards, committees etc.) results of such a procedures often are unfavorable for women. The same reasons also influence women ``visibility'' in physicist's community and as the consequence possibility to receive needed recourses for their research as well as appropriate presentation of results obtained. The study revealed also the conservatism of scientific community- reluctance to face existing in the scientific society problems and to start solving them. On the basis of the results obtained as well practice of other countries the common strategy of solving women in physics (sciences) in the Baltic States region was

  19. A Solution Space for a System of Null-State Partial Differential Equations: Part 2

    NASA Astrophysics Data System (ADS)

    Flores, Steven M.; Kleban, Peter

    2015-01-01

    This article is the second of four that completely and rigorously characterize a solution space for a homogeneous system of 2 N + 3 linear partial differential equations in 2 N variables that arises in conformal field theory (CFT) and multiple Schramm-Löwner evolution (SLE). The system comprises 2 N null-state equations and three conformal Ward identities which govern CFT correlation functions of 2 N one-leg boundary operators. In the first article (Flores and Kleban, Commun Math Phys, arXiv:1212.2301, 2012), we use methods of analysis and linear algebra to prove that dim , with C N the Nth Catalan number. The analysis of that article is complete except for the proof of a lemma that it invokes. The purpose of this article is to provide that proof. The lemma states that if every interval among ( x 2, x 3), ( x 3, x 4),…,( x 2 N-1, x 2 N ) is a two-leg interval of (defined in Flores and Kleban, Commun Math Phys, arXiv:1212.2301, 2012), then F vanishes. Proving this lemma by contradiction, we show that the existence of such a nonzero function implies the existence of a non-vanishing CFT two-point function involving primary operators with different conformal weights, an impossibility. This proof (which is rigorous in spite of our occasional reference to CFT) involves two different types of estimates, those that give the asymptotic behavior of F as the length of one interval vanishes, and those that give this behavior as the lengths of two intervals vanish simultaneously. We derive these estimates by using Green functions to rewrite certain null-state PDEs as integral equations, combining other null-state PDEs to obtain Schauder interior estimates, and then repeatedly integrating the integral equations with these estimates until we obtain optimal bounds. Estimates in which two interval lengths vanish simultaneously divide into two cases: two adjacent intervals and two non-adjacent intervals. The analysis of the latter case is similar to that for one vanishing

  20. [Quantitative Evaluation of Intracardiac Blood Flow by Left Ventricle Dynamic Anatovy Based On Exact Solutions of Non-Stationary Navier-Stocks Equations for Selforganized tornado-Like Flows of Viscous Incompresssible Fluid].

    PubMed

    Talygin, E A; Zazybo, N A; Zhorzholiany, S T; Krestinich, I M; Mironov, A A; Kiknadze, G I; Bokerya, L A; Gorodkov, A Y; Makarenko, V N; Alexandrova, S A

    2016-01-01

    New approach to intracardiac blood flow condition analysis based on geometric parameters of left ventricle flow channel has been suggested. Parameters, that used in this method, follow from exact solutions of nonstationary Navier-Stocks equations for selforganized tornado-like flows of viscous incompressible fluid. The main advantage of this method is considering dynamic anatomy of intracardiac cavity and trabeculae relief of left ventricle streamlined surface, both registered in a common mri-process, as flow condition indicator. Calculated quantity options that characterizes blood flow condition can be use as diagnostic criterias for estimation of violation in blood circulation function which entails heart ejection reduction. Developed approach allows to clarify heart jet organization mechanism and estimate the share of the tornado-like flow self-organization in heart ejection structure. PMID:27149823

  1. [Quantitative Evaluation of Intracardiac Blood Flow by Left Ventricle Dynamic Anatovy Based On Exact Solutions of Non-Stationary Navier-Stocks Equations for Selforganized tornado-Like Flows of Viscous Incompresssible Fluid].

    PubMed

    Talygin, E A; Zazybo, N A; Zhorzholiany, S T; Krestinich, I M; Mironov, A A; Kiknadze, G I; Bokerya, L A; Gorodkov, A Y; Makarenko, V N; Alexandrova, S A

    2016-01-01

    New approach to intracardiac blood flow condition analysis based on geometric parameters of left ventricle flow channel has been suggested. Parameters, that used in this method, follow from exact solutions of nonstationary Navier-Stocks equations for selforganized tornado-like flows of viscous incompressible fluid. The main advantage of this method is considering dynamic anatomy of intracardiac cavity and trabeculae relief of left ventricle streamlined surface, both registered in a common mri-process, as flow condition indicator. Calculated quantity options that characterizes blood flow condition can be use as diagnostic criterias for estimation of violation in blood circulation function which entails heart ejection reduction. Developed approach allows to clarify heart jet organization mechanism and estimate the share of the tornado-like flow self-organization in heart ejection structure.

  2. Solid-state and solution-state coordination chemistry of lanthanide(III) complexes with (pyrazol-1-yl)acetic acid.

    PubMed

    Chen, Xiao-Yan; Goff, George S; Scott, Brian L; Janicke, Michael T; Runde, Wolfgang

    2013-03-18

    As a precursor of carboxyl-functionalized task-specific ionic liquids (TSILs) for f-element separations, (pyrazol-1-yl)acetic acid (L) can be deprotonated as a functionalized pyrazolate anion to coordinate with hard metal cations. However, the coordination chemistry of L with f-elements remains unexplored. We reacted L with lanthanides in aqueous solution at pH = 5 and synthesized four lanthanide complexes of general formula [Ln(L)3(H2O)2]·nH2O (1, Ln = La, n = 2; 2, Ln = Ce, n = 2; 3, Ln = Pr, n = 2; 4, Ln = Nd, n = 1). All complexes were characterized by single crystal X-ray diffraction analysis revealing one-dimensional chain formations. Two distinct crystallographic structures are governed by the different coordination modes of carboxylate groups in L: terminal bidentate and bridging tridentate (1-3); terminal bidentate, bridging bidentate, and tridentate coordination in 4. Comparison of the solid state UV-vis-NIR diffuse reflectance spectra with solution state UV-vis-NIR spectra suggests a different species in solution and solid state. The different coordination in solid state and solution was verified by distinctive (13)C NMR signals of the carboxylate groups in the solid state NMR.

  3. New steady-state models for water-limited cropping systems using saline irrigation waters: Analytical solutions and applications

    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 new 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 clear advantages over available alternatives, including: (i) the new solutions were derived from a complete physical-mathematical description of the system, rather than based on an ad hoc formulation; (ii) the new 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.

  4. Solution and solid state NMR approaches to draw iron pathways in the ferritin nanocage.

    PubMed

    Lalli, Daniela; Turano, Paola

    2013-11-19

    Ferritins are intracellular proteins that can store thousands of iron(III) ions as a solid mineral. These structures autoassemble from four-helix bundle subunits to form a hollow sphere and are a prototypical example of protein nanocages. The protein acts as a reservoir, encapsulating iron as ferric oxide in its central cavity in a nontoxic and bioavailable form. Scientists have long known the structural details of the protein shell, owing to very high resolution X-ray structures of the apoform. However, the atomic level mechanism governing the multistep biomineralization process remained largely elusive. Through analysis of the chemical behavior of ferritin mutants, chemists have found the role of some residues in key reaction steps. Using Mössbauer and XAS, they have identified some di-iron intermediates of the catalytic reaction trapped by rapid freeze quench. However, structural information about the iron interaction sites remains scarce. The entire process is governed by a number of specific, but weak, interactions between the protein shell and the iron species moving across the cage. While this situation may constitute a major problem for crystallography, NMR spectroscopy represents an optimal tool to detect and characterize transient species involving soluble proteins. Regardless, NMR analysis of the 480 kDa ferritin represents a real challenge. Our interest in ferritin chemistry inspired us to use an original combination of solution and solid state approaches. While the highly symmetric structure of the homo-24-mer frog ferritin greatly simplifies the spectra, the large protein size hinders the efficient coherence transfer in solution, thus preventing the sequence specific assignments. In contrast, extensive (13)C-spin diffusion makes the solution (13)C-(13)C NOESY experiment our gold standard to monitor protein side chains both in the apoprotein alone and in its interaction with paramagnetic iron species, inducing line broadening on the resonances of

  5. Disentangling detector data in XFEL studies of temporally resolved solution state chemistry.

    PubMed

    Brandt van Driel, Tim; Kjær, Kasper Skov; Biasin, Elisa; Haldrup, Kristoffer; Lemke, Henrik Till; Nielsen, Martin Meedom

    2015-01-01

    With the arrival of X-ray Free Electron Lasers (XFELs), 2D area detectors with a large dynamic range for detection of hard X-rays with fast readout rates are required for many types of experiments. Extracting the desired information from these detectors has been challenging due to unpredicted fluctuations in the measured images. For techniques such as time-resolved X-ray Diffuse Scattering (XDS), small differences in signal intensity are the starting point for analysis. Fluctuations in the total detected signal remain in the differences under investigation, obfuscating the signal. To correct such artefacts, Singular Value Decomposition (SVD) can be used to identify and characterize the observed detector fluctuations and assist in assigning some of them to variations in physical parameters such as X-ray energy and X-ray intensity. This paper presents a methodology for robustly identifying, separating and correcting fluctuations on area detectors based on XFEL beam characteristics, to enable the study of temporally resolved solution state chemistry on the femtosecond timescale.

  6. Disentangling detector data in XFEL studies of temporally resolved solution state chemistry.

    PubMed

    Brandt van Driel, Tim; Kjær, Kasper Skov; Biasin, Elisa; Haldrup, Kristoffer; Lemke, Henrik Till; Nielsen, Martin Meedom

    2015-01-01

    With the arrival of X-ray Free Electron Lasers (XFELs), 2D area detectors with a large dynamic range for detection of hard X-rays with fast readout rates are required for many types of experiments. Extracting the desired information from these detectors has been challenging due to unpredicted fluctuations in the measured images. For techniques such as time-resolved X-ray Diffuse Scattering (XDS), small differences in signal intensity are the starting point for analysis. Fluctuations in the total detected signal remain in the differences under investigation, obfuscating the signal. To correct such artefacts, Singular Value Decomposition (SVD) can be used to identify and characterize the observed detector fluctuations and assist in assigning some of them to variations in physical parameters such as X-ray energy and X-ray intensity. This paper presents a methodology for robustly identifying, separating and correcting fluctuations on area detectors based on XFEL beam characteristics, to enable the study of temporally resolved solution state chemistry on the femtosecond timescale. PMID:25675434

  7. Outbreaks caused by sprouts, United States, 1998-2010: lessons learned and solutions needed.

    PubMed

    Dechet, Amy M; Herman, Karen M; Chen Parker, Cary; Taormina, Peter; Johanson, Joy; Tauxe, Robert V; Mahon, Barbara E

    2014-08-01

    After a series of outbreaks associated with sprouts in the mid-1990s, the U.S. Food and Drug Administration (FDA) published guidelines in 1999 for sprouts producers to reduce the risk of contamination. The recommendations included treating seeds with an antimicrobial agent such as calcium hypochlorite solution and testing spent irrigation water for pathogens. From 1998 through 2010, 33 outbreaks from seed and bean sprouts were documented in the United States, affecting 1330 reported persons. Twenty-eight outbreaks were caused by Salmonella, four by Shiga toxin-producing Escherichia coli, and one by Listeria. In 15 of the 18 outbreaks with information available, growers had not followed key FDA guidelines. In three outbreaks, however, the implicated sprouts were produced by firms that appeared to have implemented key FDA guidelines. Although seed chlorination, if consistently applied, reduces pathogen burden on sprouts, it does not eliminate the risk of human infection. Further seed and sprouts disinfection technologies, some recently developed, will be needed to enhance sprouts safety and reduce human disease. Improved seed production practices could also decrease pathogen burden but, because seeds are a globally distributed commodity, will require international cooperation. PMID:25076040

  8. Carrier Transport Enhancement in Conjugated Polymers through Interfacial Self-Assembly of Solution-State Aggregates.

    PubMed

    Zhao, Kui; Khan, Hadayat Ullah; Li, Ruipeng; Hu, Hanlin; Amassian, Aram

    2016-08-01

    We demonstrate that local and long-range orders of poly(3-hexylthiophene) (P3HT) semicrystalline films can be synergistically improved by combining chemical functionalization of the substrate with solution-state disentanglement and preaggregation of P3HT in a θ solvent, leading to a very significant enhancement of the field effect carrier mobility. The preaggregation and surface functionalization effects combine to enhance the carrier mobility nearly 100-fold as compared with standard film preparation by spin-coating, and nearly 10-fold increase over the benefits of preaggregation alone. In situ quartz crystal microbalance with dissipation (QCM-D) experiments reveal enhanced deposition of preaggregates on surfaces modified with an alkyl-terminated self-assembled monolayer (SAM) in comparison to unaggregated polymer chains in the same conditions. Additional measurements reveal the combined preaggregation and surface functionalization significantly enhances local order of the conjugated polymer through planarization and extension of the conjugated backbone of the polymer which clearly translate to significant improvements of carrier transport at the semiconductor-dielectric interface in organic thin film transistors. This study points to opportunities in combining complementary routes, such as well-known preaggregation with substrate chemical functionalization, to enhance the polymer self-assembly and improve its interfacial order with benefits for transport properties. PMID:27410517

  9. Chain length dependent excited-state decay processes of diluted PF2/6 solutions.

    PubMed

    Pina, João; Seixas de Melo, J Sérgio; Koenen, Niels; Scherf, Ulli

    2013-06-20

    The excited-state dynamics of a series of four poly[2,7-(9,9-bis(2-ethylhexyl)fluorene] fractions, PF2/6, with different chain length (degrees of polymerization DP: 5, 10, 39, and 205) was investigated in dilute solutions by steady-state and time-resolved fluorescence techniques. Two decay components are extracted from time-resolved fluorescence experiments in the picosecond time domain: a chain length dependent, fast decay time (τ(2)) for shorter emission wavelengths (ranging from 30 to 41 ps), which is associated with a rising component at longer wavelengths, and a longer decay time, τ(1) (ranging from 387 to 452 ps). The system was investigated with kinetic formalisms involving (i) a two-state system (A and B) involving conformational relaxation of the initially excited PF2/6 segment (A) under formation of a more planar (B) relaxed state and (ii) a time-dependent red shift of the emission spectrum using the Stokes shift correlation function (SSCF). In the case of (i), the kinetic scheme was solved considering the simultaneous excitation of A and B or only of A, and the rate constants for formation [k′(CR) or k′(CR)(α)], dissociation (k(–CR)), and deactivation (k(B)(*)) were obtained together with the fraction of species A and B present in the ground state. The use of the SSCF in (ii) was found to be more adequate leading to a decay law with a 3.4 ps component (associated with the slow part of the solvation dynamics process) and a longer decay (43.3 ps) associated with the conformational/torsional relaxation process with a rate constant k(CR). This longer component of the SSCF was found to be identical to the short-living decay (τ(2)) component of the biexponential decays, displaying an Arrhenius-type behavior with activation energy values in the range 5.8–8.9 kJ mol(–1) in toluene and 6.5–10.7 kJ mol(–1) in decalin. From the dependence of the fast decay component (k(CR) ≡ 1/τ(2)) on solvent viscosity and temperature, the activation energy

  10. Final Report - Montana State University - Microbial Activity and Precipitation at Solution-Solution Mixing Zones in Porous Media

    SciTech Connect

    Gerlach, Robin

    2014-10-31

    Background. The use of biological and chemical processes that degrade or immobilize contaminants in subsurface environments is a cornerstone of remediation technology. The enhancement of biological and chemical processes in situ, involves the transport, displacement, distribution and mixing of one or more reactive agents. Biological and chemical reactions all require diffusive transport of solutes to reaction sites at the molecular scale and accordingly, the success of processes at the meter-scale and larger is dictated by the success of phenomena that occur at the micron-scale. However, current understanding of scaling effects on the mixing and delivery of nutrients in biogeochemically dynamic porous media systems is limited, despite the limitations this imposes on the efficiency and effectiveness of the remediation challenges at hand. Objectives. We therefore proposed to experimentally characterize and computationally describe the growth, evolution, and distribution of microbial activity and mineral formation as well as changes in transport processes in porous media that receive two or more reactive amendments. The model system chosen for this project was based on a method for immobilizing 90Sr, which involves stimulating microbial urea hydrolysis with ensuing mineral precipitation (CaCO3), and co-precipitation of Sr. Studies at different laboratory scales were used to visualize and quantitatively describe the spatial relationships between amendment transport and consumption that stimulate the production of biomass and mineral phases that subsequently modify the permeability and heterogeneity of porous media. Biomass growth, activity, and mass deposition in mixing zones was investigated using two-dimensional micro-model flow cells as well as flow cells that could be analyzed using synchrotron-based x-ray tomography. Larger-scale flow-cell experiments were conducted where the spatial distribution of media properties, flow, segregation of biological activity and

  11. Excited-state dynamics of guanosine in aqueous solution revealed by time-resolved photoelectron spectroscopy: experiment and theory.

    PubMed

    Buchner, Franziska; Heggen, Berit; Ritze, Hans-Hermann; Thiel, Walter; Lübcke, Andrea

    2015-12-21

    Time-resolved photoelectron spectroscopy is performed on aqueous guanosine solution to study its excited-state relaxation dynamics. Experimental results are complemented by surface hopping dynamic simulations and evaluation of the excited-state ionization energy by Koopmans' theorem. Two alternative models for the relaxation dynamics are discussed. The experimentally observed excited-state lifetime is about 2.5 ps if the molecule is excited at 266 nm and about 1.1 ps if the molecule is excited at 238 nm. The experimental probe photon energy dependence of the photoelectron kinetic energy distribution suggests that the probe step is not vertical and involves a doubly-excited autoionizing state.

  12. Comparative analysis of zaleplon complexation with cyclodextrins and hydrophilic polymers in solution and in solid state.

    PubMed

    Jablan, Jasna; Szalontai, Gábor; Jug, Mario

    2012-12-01

    The aim of this work was to investigate the potential synergistic effect of water-soluble polymers (hypromellose, HPMC and polyvinylpyrrolidone, PVP) on zaleplon (ZAL) complexation with parent β-cyclodextrin (βCD) and its randomly methylated derivative (RAMEB) in solution and in solid state. The addition of HPMC to the complexation medium improved ZAL complexation and solubilization with RAMEB (K(ZAL/RAMEB)=156±5M(-1) and K(ZAL/RAMEB/HPMC)=189±8M(-1); p<0.01), while such effect was not observed for βCD (K(ZAL/βCD)=112±2M(-1) and K(ZAL/βCD/HPMC)=119±8M(-1); p>0.05). Although PVP increased the ZAL aqueous solubility from 0.22 to 0.27mg/mL, it did not show any synergistic effects on ZAL solubilization with the cyclodextrins tested. Binary and ternary systems of ZAL with βCD, RAMEB and HPMC were prepared by spray-drying. Differential scanning calorimetry, X-ray powder diffraction and scanning electron microscopy demonstrated a partial ZAL amorphization in spray-dried binary and ternary systems with βCD, while the drug was completely amorphous in all samples with RAMEB. Furthermore, inclusion complex formation in all systems prepared was confirmed by solid-state NMR spectroscopy. The in vitro dissolution rate followed the rank order ZAL/RAMEB/HPMC>ZAL/RAMEB=ZAL/βCD/HPMC>ZAL/βCD≫ZAL, clearly demonstrating the superior performance of RAMEB on ZAL complexation in the solid state and its synergistic effect with HPMC on drug solubility. Surprisingly, when loaded into tablets made with insoluble microcrystalline cellulose, RAMEB complexes had no positive effect on drug dissolution, because HPMC and RAMEB acted as a binders inside the tablets, prolonging their disintegration. Oppositely, the formulation with mannitol, a soluble excipient, containing a ternary RAMEB system, released the complete drug-dose in only 5min, clearly demonstrating its suitability for the development of immediate-release oral formulation of ZAL.

  13. Carbon nanotube and carbon nanorod-filled polyacrylonitrile electrospun stationary phase for ultrathin layer chromatography.

    PubMed

    Fang, Xin; Olesik, Susan V

    2014-06-01

    The application of carbon nanotube or nanorod/polyacrylonitrile (PAN) composite electrospun nanofibrous stationary phase for ultrathin layer chromatography (UTLC) is described herein. Multi-walled carbon nanotubes (MWCNTs) and edge-plane carbon (EPC) nanorods were prepared and electrospun with the PAN polymer solution to form composite nanofibers for use as a UTLC stationary phase. The analysis of laser dyes demonstrated the feasibility of utilizing carbon nanoparticle-filled electrospun nanofibers as a UTLC stationary phase. The contribution of MWCNT or EPC in changing selectivity of the stationary phase was studied by comparing the chromatographic behavior among MWCNT-PAN plates, EPC-PAN plates and pure PAN plates. Carbon nanoparticles in the stationary phase were able to establish strong π-π interactions with aromatic analytes. The separation of five polycyclic aromatic hydrocarbons (PAHs) demonstrated enhanced chromatographic performance of MWCNT-filled stationary phase by displaying substantially improved resolution and separation efficiency. Band broadening of the spots for MWCNT or EPC-filled UTLC stationary phases was also investigated and compared with that for pure PAN stationary phases. A 50% improvement in band dispersion was noted using the MWCNT based composite nanofibrous UTLC plates. PMID:24856506

  14. THE VAPOUR PRESSURES OF AQUEOUS SOLUTIONS WITH SPECIAL REFERENCE TO THE PROBLEM OF THE STATE OF WATER IN BIOLOGICAL FLUIDS.

    PubMed

    Grollman, A

    1931-05-20

    DATA FOR THE DEPRESSION OF VAPOUR PRESSURE ARE PRESENTED FOR THE FOLLOWING AQUEOUS SOLUTIONS: NaCl (0.03 to 0.1 molar), KCl (0.03 to 0.1 molar), urea (0.05 to 0.5 molar), sucrose (0.05 to 0.10 molar), lactic and succinic acids, creatine, CaCl(2) (0.05 molar), and mixtures of these substances with one another and with certain other solutions (gelatin, gum acacia, sea water, LiCl, etc.). The relation of the depression of vapour pressure of a mixed solution to that of solutions of the individual constituents was investigated in order to ascertain to what extent such studies may be used for the determination of the degree of hydration, or of the state of water, in solutions. Organic substances (urea, sucrose, etc.) showed anomalous results which were markedly affected and unpredictable in mixed solutions. They are, therefore, unsuited for the study of water binding. In the case of solutions of inorganic substances-LiCl and CaCl(2)-the principle of the additive nature of colligative properties is also only approximately true-except perhaps in very dilute solutions. The limitations of the colligative method for determining the degree of hydration have been defined in accord with the above findings. Studies of the vapour pressures of mixtures of gelatin or gum acacia with NaCl or KCl demonstrated that hydration in gelatin is relatively small at pH = 7 and undetectable in gum acacia solutions. The view, therefore, that hydrophilic colloids are strongly hydrated has not been substantiated. The passage from the sol to the gel state also was not accompanied in gelatin or in blood by any appreciable change in the degree of hydration of the hydrophilic colloids present in these substances.

  15. Approximate bound-state solutions of the Dirac equation for the generalized yukawa potential plus the generalized tensor interaction

    NASA Astrophysics Data System (ADS)

    Ikot, Akpan N.; Maghsoodi, Elham; Hassanabadi, Hassan; Obu, Joseph A.

    2014-05-01

    In this paper, we obtain the approximate analytical bound-state solutions of the Dirac particle with the generalized Yukawa potential within the framework of spin and pseudospin symmetries for the arbitrary к state with a generalized tensor interaction. The generalized parametric Nikiforov-Uvarov method is used to obtain the energy eigenvalues and the corresponding wave functions in closed form. We also report some numerical results and present figures to show the effect of the tensor interaction.

  16. Continuity of states between the cholesteric → line hexatic transition and the condensation transition in DNA solutions

    SciTech Connect

    Yasar, Selcuk; Podgornik, Rudolf; Valle-Orero, Jessica; Johnson, Mark R.; Parsegian, V. Adrian

    2014-11-05

    A new method of finely temperature-tuning osmotic pressure allows one to identify the cholesteric → line hexatic transition of oriented or unoriented long-fragment DNA bundles in monovalent salt solutions as first order, with a small but finite volume discontinuity. This transition is similar to the osmotic pressure-induced expanded → condensed DNA transition in polyvalent salt solutions at small enough polyvalent salt concentrations. Therefore there exists a continuity of states between the two. This finding with the corresponding empirical equation of state, effectively relates the phase diagram of DNA solutions for monovalent salts to that for polyvalent salts and sheds some light on the complicated interactions between DNA molecules at high densities.

  17. Continuity of states between the cholesteric → line hexatic transition and the condensation transition in DNA solutions

    DOE PAGESBeta

    Yasar, Selcuk; Podgornik, Rudolf; Valle-Orero, Jessica; Johnson, Mark R.; Parsegian, V. Adrian

    2014-11-05

    A new method of finely temperature-tuning osmotic pressure allows one to identify the cholesteric → line hexatic transition of oriented or unoriented long-fragment DNA bundles in monovalent salt solutions as first order, with a small but finite volume discontinuity. This transition is similar to the osmotic pressure-induced expanded → condensed DNA transition in polyvalent salt solutions at small enough polyvalent salt concentrations. Therefore there exists a continuity of states between the two. This finding with the corresponding empirical equation of state, effectively relates the phase diagram of DNA solutions for monovalent salts to that for polyvalent salts and sheds somemore » light on the complicated interactions between DNA molecules at high densities.« less

  18. Ergodicity, configurational entropy and free energy in pigment solutions and plant photosystems: influence of excited state lifetime.

    PubMed

    Jennings, Robert C; Zucchelli, Giuseppe

    2014-01-01

    We examine ergodicity and configurational entropy for a dilute pigment solution and for a suspension of plant photosystem particles in which both ground and excited state pigments are present. It is concluded that the pigment solution, due to the extreme brevity of the excited state lifetime, is non-ergodic and the configurational entropy approaches zero. Conversely, due to the rapid energy transfer among pigments, each photosystem is ergodic and the configurational entropy is positive. This decreases the free energy of the single photosystem pigment array by a small amount. On the other hand, the suspension of photosystems is non-ergodic and the configurational entropy approaches zero. The overall configurational entropy which, in principle, includes contributions from both the single excited photosystems and the suspension which contains excited photosystems, also approaches zero. Thus the configurational entropy upon photon absorption by either a pigment solution or a suspension of photosystem particles is approximately zero.

  19. Continuity of states between the cholesteric → line hexatic transition and the condensation transition in DNA solutions

    NASA Astrophysics Data System (ADS)

    Yasar, Selcuk; Podgornik, Rudolf; Valle-Orero, Jessica; Johnson, Mark R.; Parsegian, V. Adrian

    2014-11-01

    A new method of finely temperature-tuning osmotic pressure allows one to identify the cholesteric --> line hexatic transition of oriented or unoriented long-fragment DNA bundles in monovalent salt solutions as first order, with a small but finite volume discontinuity. This transition is similar to the osmotic pressure-induced expanded --> condensed DNA transition in polyvalent salt solutions at small enough polyvalent salt concentrations. Therefore there exists a continuity of states between the two. This finding, together with the corresponding empirical equation of state, effectively relates the phase diagram of DNA solutions for monovalent salts to that for polyvalent salts and sheds some light on the complicated interactions between DNA molecules at high densities.

  20. The 4-Day School Week: A Partial Solution to Today's Energy Crisis and Declining State Funding to Education.

    ERIC Educational Resources Information Center

    Feldhausen, Thomas

    As a partial solution to the energy crisis and to solve the problem of drastically rising operating costs coupled with less state support, in 1980-81 the Liberty School District (Spangle, Washington) implemented a 4-day school week comparable to the program used by Cimarron School District #3 in New Mexico. A survey conducted in 1975 by the…

  1. Solution-processed ultrathin chemically derived graphene films as soft top contacts for solid-state molecular electronic junctions.

    PubMed

    Li, Tao; Hauptmann, Jonas Rahlf; Wei, Zhongming; Petersen, Søren; Bovet, Nicolas; Vosch, Tom; Nygård, Jesper; Hu, Wenping; Liu, Yunqi; Bjørnholm, Thomas; Nørgaard, Kasper; Laursen, Bo W

    2012-03-01

    A novel method using solution-processed ultrathin chemically derived graphene films as soft top contacts for the non-destructive fabrication of molecular junctions is demonstrated. We believe this protocol will greatly enrich the solid-state test beds for molecular electronics due to its low-cost, easy-processing and flexible nature.

  2. Oxidation of trace amounts of transplutonium elements to the tetravalent state in solutions of mineral acids and their stabilities

    SciTech Connect

    Milyukova, M.S.; Varezhkina, N.S.; Kuzovkina, E.V.; Malikov, D.A.; Myasoedov, B.F.

    1989-01-01

    The behavior of trace amounts of americium(IV) in sulfuric and nitric acid solutions as a function of the mineral acid, potassium phosphotungstate, and ammonium persulfate concentrations was investigated. The stability of americium(IV) was studied. The optimal conditions and time of oxidation of trace amounts of americium to the tetravalent state were found on the basis of the experimental data obtained.

  3. HIGH-RESOLUTION SOLUTION-STATE NMR OF UNFRACTIONATED PLANT CELL WALLS: POTENTIAL FOR BIOMASS SELECTION AND PROCESS OPTIMIZATION

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Detailed structural studies on the plant cell wall have traditionally been difficult. NMR is one of the preeminent structural tools, but obtaining high-resolution solution-state spectra has typically required fractionation and isolation of components of interest. With new methods for dissolution of,...

  4. Computer program VARI-QUIR 3 provides solution of steady-state, multigroup, two-dimensional neutron diffusion equations

    NASA Technical Reports Server (NTRS)

    Collier, G.

    1967-01-01

    Computer program VARI-QUIR 3 provides Gauss-Seidel type of solution with inner and outer iterations for steady-state, multigroup, two-dimensional neutron diffusion equations. The program has no restrictions on any of the input parameters such as the number of groups, regions, or materials.

  5. A novel vehicle stationary detection utilizing map matching and IMU sensors.

    PubMed

    Amin, Md Syedul; Reaz, Mamun Bin Ibne; Nasir, Salwa Sheikh; Bhuiyan, Mohammad Arif Sobhan; Ali, Mohd Alauddin Mohd

    2014-01-01

    Precise navigation is a vital need for many modern vehicular applications. The global positioning system (GPS) cannot provide continuous navigation information in urban areas. The widely used inertial navigation system (INS) can provide full vehicle state at high rates. However, the accuracy diverges quickly in low cost microelectromechanical systems (MEMS) based INS due to bias, drift, noise, and other errors. These errors can be corrected in a stationary state. But detecting stationary state is a challenging task. A novel stationary state detection technique from the variation of acceleration, heading, and pitch and roll of an attitude heading reference system (AHRS) built from the inertial measurement unit (IMU) sensors is proposed. Besides, the map matching (MM) algorithm detects the intersections where the vehicle is likely to stop. Combining these two results, the stationary state is detected with a smaller timing window of 3 s. A longer timing window of 5 s is used when the stationary state is detected only from the AHRS. The experimental results show that the stationary state is correctly identified and the position error is reduced to 90% and outperforms previously reported work. The proposed algorithm would help to reduce INS errors and enhance the performance of the navigation system.

  6. A novel vehicle stationary detection utilizing map matching and IMU sensors.

    PubMed

    Amin, Md Syedul; Reaz, Mamun Bin Ibne; Nasir, Salwa Sheikh; Bhuiyan, Mohammad Arif Sobhan; Ali, Mohd Alauddin Mohd

    2014-01-01

    Precise navigation is a vital need for many modern vehicular applications. The global positioning system (GPS) cannot provide continuous navigation information in urban areas. The widely used inertial navigation system (INS) can provide full vehicle state at high rates. However, the accuracy diverges quickly in low cost microelectromechanical systems (MEMS) based INS due to bias, drift, noise, and other errors. These errors can be corrected in a stationary state. But detecting stationary state is a challenging task. A novel stationary state detection technique from the variation of acceleration, heading, and pitch and roll of an attitude heading reference system (AHRS) built from the inertial measurement unit (IMU) sensors is proposed. Besides, the map matching (MM) algorithm detects the intersections where the vehicle is likely to stop. Combining these two results, the stationary state is detected with a smaller timing window of 3 s. A longer timing window of 5 s is used when the stationary state is detected only from the AHRS. The experimental results show that the stationary state is correctly identified and the position error is reduced to 90% and outperforms previously reported work. The proposed algorithm would help to reduce INS errors and enhance the performance of the navigation system. PMID:25276855

  7. A Novel Vehicle Stationary Detection Utilizing Map Matching and IMU Sensors

    PubMed Central

    Reaz, Mamun Bin Ibne; Nasir, Salwa Sheikh; Bhuiyan, Mohammad Arif Sobhan; Ali, Mohd. Alauddin Mohd.

    2014-01-01

    Precise navigation is a vital need for many modern vehicular applications. The global positioning system (GPS) cannot provide continuous navigation information in urban areas. The widely used inertial navigation system (INS) can provide full vehicle state at high rates. However, the accuracy diverges quickly in low cost microelectromechanical systems (MEMS) based INS due to bias, drift, noise, and other errors. These errors can be corrected in a stationary state. But detecting stationary state is a challenging task. A novel stationary state detection technique from the variation of acceleration, heading, and pitch and roll of an attitude heading reference system (AHRS) built from the inertial measurement unit (IMU) sensors is proposed. Besides, the map matching (MM) algorithm detects the intersections where the vehicle is likely to stop. Combining these two results, the stationary state is detected with a smaller timing window of 3 s. A longer timing window of 5 s is used when the stationary state is detected only from the AHRS. The experimental results show that the stationary state is correctly identified and the position error is reduced to 90% and outperforms previously reported work. The proposed algorithm would help to reduce INS errors and enhance the performance of the navigation system. PMID:25276855

  8. Technical note: Analytical drawdown solution for steady-state pumping tests in two-dimensional isotropic heterogeneous aquifers

    NASA Astrophysics Data System (ADS)

    Zech, Alraune; Attinger, Sabine

    2016-05-01

    A new method is presented which allows interpreting steady-state pumping tests in heterogeneous isotropic transmissivity fields. In contrast to mean uniform flow, pumping test drawdowns in heterogeneous media cannot be described by a single effective or equivalent value of hydraulic transmissivity. An effective description of transmissivity is required, being a function of the radial distance to the well and including the parameters of log-transmissivity: mean, variance, and correlation length. Such a model is provided by the upscaling procedure radial coarse graining, which describes the transition of near-well to far-field transmissivity effectively. Based on this approach, an analytical solution for a steady-state pumping test drawdown is deduced. The so-called effective well flow solution is derived for two cases: the ensemble mean of pumping tests and the drawdown within an individual heterogeneous transmissivity field. The analytical form of the solution allows inversely estimating the parameters of aquifer heterogeneity. For comparison with the effective well flow solution, virtual pumping tests are performed and analysed for both cases, the ensemble mean drawdown and pumping tests at individual transmissivity fields. Interpretation of ensemble mean drawdowns showed proof of the upscaling method. The effective well flow solution reproduces the drawdown for two-dimensional pumping tests in heterogeneous media in contrast to Thiem's solution for homogeneous media. Multiple pumping tests conducted at different locations within an individual transmissivity field are analysed, making use of the effective well flow solution to show that all statistical parameters of aquifer heterogeneity can be inferred under field conditions. Thus, the presented method is a promising tool with which to estimate parameters of aquifer heterogeneity, in particular variance and horizontal correlation length of log-transmissivity fields from steady-state pumping test measurements.

  9. Extracting stationary segments from non-stationary synthetic and cardiac signals

    NASA Astrophysics Data System (ADS)

    Rodríguez, María. G.; Ledezma, Carlos A.; Perpiñán, Gilberto; Wong, Sara; Altuve, Miguel

    2015-01-01

    Physiological signals are commonly the result of complex interactions between systems and organs, these interactions lead to signals that exhibit a non-stationary behaviour. For cardiac signals, non-stationary heart rate variability (HRV) may produce misinterpretations. A previous work proposed to divide a non-stationary signal into stationary segments by looking for changes in the signal's properties related to changes in the mean of the signal. In this paper, we extract stationary segments from non-stationary synthetic and cardiac signals. For synthetic signals with different signal-to-noise ratio levels, we detect the beginning and end of the stationary segments and the result is compared to the known values of the occurrence of these events. For cardiac signals, RR interval (cardiac cycle length) time series, obtained from electrocardiographic records during stress tests for two populations (diabetic patients with cardiovascular autonomic neuropathy and control subjects), were divided into stationary segments. Results on synthetic signals reveal that the non-stationary sequence is divided into more stationary segments than needed. Additionally, due to HRV reduction and exercise intolerance reported on diabetic cardiovascular autonomic neuropathy patients, non-stationary RR interval sequences from these subjects can be divided into longer stationary segments compared to the control group.

  10. New approach to magnetohydrodynamics spectral theory of stationary plasma flows

    NASA Astrophysics Data System (ADS)

    (Hans Goedbloed, J. P.

    2011-07-01

    While the basic equations of MHD spectral theory date back to 1958 for static plasmas (Bernstein et al 1958 Proc. R. Soc. A 244 17) and to 1960 for stationary plasma flows (Frieman and Rotenberg 1960 Rev. Mod. Phys. 32 898), progress on the latter subject has been slow since it suffers from lack of analytical insight concerning the structure of the spectrum. One of the reasons is the usual misnomer of 'non-self adjointness' of the stationary flow problem. Actually, self-adjointness of the occurring operators, namely the generalized force operator and the Doppler-Coriolis gradient operator -iρv·∇, was proved right away by Frieman and Rotenberg. Based on the reality of the two quadratic forms corresponding to these operators, we here construct (a) an effective method to compute the solution paths in the complex ω plane on which the eigenvalues are situated, (b) the counterpart of the oscillation theorem for eigenvalues of static equilibria (Goedbloed and Sakanaka 1974 Phys. Fluids 17 908) for the eigenvalues of stationary flows, based on the monotonicity of the alternating ratio, or alternator, of the boundary values of the displacement ξ and the total pressure perturbation Π. This enables one to map out the complete spectrum of eigenvalues in the complex ω-plane. The intricate topology of the solution paths is discussed for the fundamental examples of Rayleigh-Taylor, Kelvin-Helmholtz and combined instabilities.

  11. Ultrafast excited-state deactivation of 9-methylhypoxanthine in aqueous solution: A QM/MM MD study

    NASA Astrophysics Data System (ADS)

    Guo, Xugeng; Yuan, Huijuan; An, Beibei; Zhu, Qiuling; Zhang, Jinglai

    2016-04-01

    Photoinduced ultrafast non-adiabatic decay of 9-methylhypoxanthine (9MHPX) in aqueous solution was investigated by ab initio surface-hopping dynamics calculations using a combined quantum mechanical/molecular mechanical approach. The absorption spectra of 9MHPX in aqueous solution were also explored by the hybrid cluster-continuum model at the level of time-dependent density functional theory along with the polarizable continuum model (PCM). The static electronic-structure calculations indicate that the absorption spectra of 9MHPX simulated by TD-B3LYP/PCM and TD-X3LYP/PCM can reproduce very well the experimental findings, with the accuracy of about 0.20 eV. According to dynamics simulations, irradiation of 9MHPX populates the bright excited singlet S1 state, which may undergo an ultrafast non-radiative deactivation to the S0 state. The lifetime of the S1 state of 9MHPX in aqueous solution is predicted to be 115.6 fs, slightly longer than that in the gas phase (88.8 fs), suggesting that the solvent water has no significant influence on the excited-state lifetime of 9MHPX. Such a behavior in 9MHPX is distinctly different from its parent hypoxanthine keto-N9H tautomer in which the excited-state lifetime of the latter in water solution was remarkably enhanced as compared to the gas phase. The significant difference of the photodynamical behaviors between 9MHPX and keto-N9H can be ascribed to their different hydrogen bond environment in aqueous solution.

  12. Stationary waves in a superfluid exciton gas in quantum Hall bilayers.

    PubMed

    Pikalov, A A; Fil, D V

    2011-07-01

    Stationary waves in a superfluid magnetoexciton gas in ν = 1 quantum Hall bilayers are considered. The waves are induced by counterpropagating electrical currents that flow in a system with a point obstacle. It is shown that stationary waves can emerge only in imbalanced bilayers in a certain diapason of currents. It is found that the stationary wave pattern is modified qualitatively under a variation of the ratio of the interlayer distance to the magnetic length [Formula: see text]. The advantages of using graphene-dielectric-graphene sandwiches for the observation of stationary waves are discussed. We determine the range of parameters (the dielectric constant of the layer that separates two graphene layers and the ratio d/l) for which the state with superfluid magnetoexcitons can be realized in such sandwiches. Typical stationary wave patterns are presented as density plots.

  13. Stationary waves in a superfluid exciton gas in quantum Hall bilayers.

    PubMed

    Pikalov, A A; Fil, D V

    2011-07-01

    Stationary waves in a superfluid magnetoexciton gas in ν = 1 quantum Hall bilayers are considered. The waves are induced by counterpropagating electrical currents that flow in a system with a point obstacle. It is shown that stationary waves can emerge only in imbalanced bilayers in a certain diapason of currents. It is found that the stationary wave pattern is modified qualitatively under a variation of the ratio of the interlayer distance to the magnetic length [Formula: see text]. The advantages of using graphene-dielectric-graphene sandwiches for the observation of stationary waves are discussed. We determine the range of parameters (the dielectric constant of the layer that separates two graphene layers and the ratio d/l) for which the state with superfluid magnetoexcitons can be realized in such sandwiches. Typical stationary wave patterns are presented as density plots. PMID:21666305

  14. The solution, solid state stability and kinetic investigation in degradation studies of lercanidipine: study of excipients compatibility of lercanidipine.

    PubMed

    Parmar, Nitin; Amin, Saima; Singla, Neelam; Kohli, Kanchan

    2012-01-01

    The objectives of this research were to evaluate the stability of lercanidipine in solution state and solid state and explore the compatibility of drug with oils, surfactants and cosurfactants as excipients. The effect of pH on the degradation in solution state was studied through pH-rate profile of lercanidipine in constant ionic strength buffer solutions in pH range 1-8 which gives the pH of maximum stability. Powdered lercanidipine was stored under 40°C/0%~75% relative humidities (RH) or 0% RH/5~50°C to study the influence of RH and temperature on the stability of lercanidipine in solid state. Binary mixtures of lercanidipine and different excipients were stored at 40°C/75% RH, 40°C and at room temperature for excipient compatibility evaluation. The degradation of lercanidipine at different pH appears to fit a typical first-order reaction, but in solid state, it does not fit any obvious reaction model. Moisture content and temperature both play important roles affecting the degradation rate. Lercanidipine exhibits good compatibility with surfactants, cosurfactants and oils as excipients under stressed conditions of different storage temperature in a 3-week screening study. Moreover, the proposed high-performance liquid chromatography method was utilized to investigate the kinetics of the acidic and alkaline degradation processes of lercanidipine at different temperatures.

  15. Solid state and solution 43Ca NMR of calcium peroxides involved in the disproportionation of hydrogen peroxide by calcium hydroxide.

    PubMed

    Trokiner, Arlette; Bessière, Aurélie; Thouvenot, René; Hau, Damien; Marko, Jean; Nardello, Véronique; Pierlot, Christel; Aubry, Jean-Marie

    2004-06-01

    In order to get some insight into the mechanism of the disproportionation of hydrogen peroxide catalyzed by calcium hydroxide, 43Ca NMR spectra of enriched samples of calcium peroxides and of their precursors have been studied in both solution and solid state. This study demonstrates that no well-defined peroxidized calcium species are formed in solution, showing that the catalytic role of calcium is likely restricted to the solid state. Most of the calcium compounds that could be involved in the catalytic process have been investigated with solid state NMR. The shift and quadrupolar parameters of Ca(OH)2, CaO2.8H2O and CaO2.2H2O2 are reported for the first time. These parameters are different enough to allow the quantitative analysis of a complex mixture of these compounds by NMR.

  16. Studies of the photophysics of highly fluorescent Red Mega 480 laser dye in solutions: Steady state spectroscopy.

    PubMed

    Tangod, V B; Mastiholi, B M; Raikar, Prasad; Kulkarni, S G; Raikar, U S

    2015-09-01

    The absorption and fluorescence spectra of highly fluorescent industrially useful medium sized Red Mega 480 dye have been studied in various solvents at 298 K. The solute photophysical behavior depends strongly on the solute-solvent interactions. In order to understand the effect of inter molecular interactions on spectral behaviors of the dye in different solvents extent of this behavior can be analyzed by linear solvation energy relationships. In addition, ground and excited state dipole moments were evaluated by various methods. It is observed that excited state dipole moment (μe) is larger than the ground state (μg), absorption spectra show a bathochromic shift with increasing polarity indicating that transition involved is π→π(∗) and Onsager cavity radius is determined by atomic increment method.

  17. Stationary Engineering Laboratory--2. Teacher's Guide.

    ERIC Educational Resources Information Center

    Steingress, Frederick M.; Frost, Harold J.

    The Stationary Engineering Laboratory Manual 2 Teacher's Guide was designed as an aid to the instructors of vocational-technical high school students who have received instruction in the basics of stationary engineering. The course of study was developed for students who will be operating a live plant and who will be responsible for supplying…

  18. Uniqueness theorem for stationary axisymmetric black holes in Einstein-Maxwell-axion-dilaton gravity

    SciTech Connect

    Rogatko, Marek

    2010-08-15

    We prove the uniqueness theorem for the stationary axisymmetric black hole solution in Einstein-Maxwell-axion-dilaton gravity being the low-energy limit of the heterotic string theory. We consider both the nonextremal and extremal Kerr-Sen black hole solutions.

  19. Stationary shapes of confined rotating magnetic liquid droplets.

    PubMed

    Lira, Sérgio A; Miranda, José A; Oliveira, Rafael M

    2010-09-01

    We study the family of steady shapes which arise when a magnetic liquid droplet is confined in a rotating Hele-Shaw cell and subjected to an azimuthal magnetic field. Two different scenarios are considered: first, the magnetic fluid is assumed to be a Newtonian ferrofluid, and then it is taken as a viscoelastic magnetorheological fluid. The influence of the distinct material properties of the fluids on the ultimate morphology of the emerging stationary patterns is investigated by using a vortex-sheet formalism. Some of these exact steady structures are similar to the advanced time patterns obtained by existing time-evolving numerical simulations of the problem. A weakly nonlinear approach is employed to examine this fact and to gain analytical insight about relevant aspects related to the stability of such exact stationary solutions. PMID:21230182

  20. Amine Gradient Stationary Phases on In-House Built Monolithic Columns for Liquid Chromatography.

    PubMed

    Dewoolkar, Veeren C; Jeong, Lena N; Cook, Daniel W; Ashraf, Kayesh M; Rutan, Sarah C; Collinson, Maryanne M

    2016-06-01

    Stationary phase gradients on monolithic silica columns have been successfully and reproducibly prepared and characterized with comparisons made to uniformly modified stationary phases. Stationary phase gradients hold great potential for use in liquid chromatography (LC), both in terms of simplifying analysis as well as providing novel selectivity. In this work, we demonstrate the creation of a continuous stationary phase gradient on in-house synthesized monolithic columns by infusing an aminoalkoxysilane solution through the silica monoliths via controlled rate infusion. The presence of amine and its distribution along the length of gradient and uniformly modified columns were assessed via X-ray photoelectron spectroscopy (XPS). XPS showed a clear gradient in surface coverage along the length of the column for the gradient stationary phases while a near uniform distribution on the uniformly modified stationary phases. To demonstrate the application of these gradient stationary phases, the separations of both nucleobases and weak acids/weak bases on these gradient stationary phases have been compared to uniformly modified and unmodified silica columns. Of particular note, the retention characteristics of 11 gradient columns, 5 uniformly modified columns, and 5 unmodified columns have been tested to establish the reproducibility of the synthetic procedures. Standard deviations of the retention factors were in the range from 0.06 to 0.5, depending on the analyte species. We show that selectivity is achieved with the stationary phase gradients that are significantly different from either uniformly modified amine or unmodified columns. These results indicate the significant promise of this strategy for creating novel stationary phases for LC. PMID:27203513

  1. Monte Carlo simulation and equation of state for flexible charged hard-sphere chain fluids: Polyampholyte and polyelectrolyte solutions

    SciTech Connect

    Jiang, Hao; Adidharma, Hertanto

    2014-11-07

    The thermodynamic modeling of flexible charged hard-sphere chains representing polyampholyte or polyelectrolyte molecules in solution is considered. The excess Helmholtz energy and osmotic coefficients of solutions containing short polyampholyte and the osmotic coefficients of solutions containing short polyelectrolytes are determined by performing canonical and isobaric-isothermal Monte Carlo simulations. A new equation of state based on the thermodynamic perturbation theory is also proposed for flexible charged hard-sphere chains. For the modeling of such chains, the use of solely the structure information of monomer fluid for calculating the chain contribution is found to be insufficient and more detailed structure information must therefore be considered. Two approaches, i.e., the dimer and dimer-monomer approaches, are explored to obtain the contribution of the chain formation to the Helmholtz energy. By comparing with the simulation results, the equation of state with either the dimer or dimer-monomer approach accurately predicts the excess Helmholtz energy and osmotic coefficients of polyampholyte and polyelectrolyte solutions except at very low density. It also well captures the effect of temperature on the thermodynamic properties of these solutions.

  2. Structural studies of bean pod mottle virus, capsid, and RNA in crystal and solution states by laser Raman spectroscopy

    SciTech Connect

    Li, Tiansheng; Thomas, G.J. Jr. ); Chen, Zhongguo; Johnson, J.E. )

    1990-05-29

    Structures of protein and RNA components of bean pod mottle virus (BPMV) have been investigated by use of laser Raman spectroscopy. Raman spectra were collected from both aqueous solutions and single crystals of BPMV capsids (top component) and virions (middle and bottom components, which package, respectively, small and large RNA molecules). Analysis of the data permits the assignment of conformation-sensitive Raman bands to viral protein and RNA constituents and observation of structural similarities and differences between solution and crystalline states of BPMV components. The Raman results show that the protein subunits of the empty capsid contain between 45% and 55% {beta}-strand and {beta}-turn secondary structure, in agreement with the recently determined X-ray crystal structure, and that this total {beta}-strand content undergoes a small increase with packaging of RNA. A comparison of Raman spectra of crystal and solution states of the BPMV middle component reveals only minor structural differences between the two, and these are restricted almost exclusively to Raman bands of RNA in the region of assigned phosphodiester conformation markers. Although in both the crystal and solution only C3{prime} endo/anti nucleosides are detected, the crystal exhibits a weaker 813-cm{sup {minus}1} band and strong 870-cm{sup {minus}1} band, which suggests that {approximately}8% of the nucleotides have O-P-O torsions configured differently in the crystal from that in the solution.

  3. Stationary and non-stationary occurrences of miniature end plate potentials are well described as stationary and non-stationary Poisson processes in the mollusc Navanax inermis.

    PubMed

    Cappell, M S; Spray, D C; Bennett, M V

    1988-06-28

    Protractor muscles in the gastropod mollusc Navanax inermis exhibit typical spontaneous miniature end plate potentials with mean amplitude 1.71 +/- 1.19 (standard deviation) mV. The evoked end plate potential is quantized, with a quantum equal to the miniature end plate potential amplitude. When their rate is stationary, occurrence of miniature end plate potentials is a random, Poisson process. When non-stationary, spontaneous miniature end plate potential occurrence is a non-stationary Poisson process, a Poisson process with the mean frequency changing with time. This extends the random Poisson model for miniature end plate potentials to the frequently observed non-stationary occurrence. Reported deviations from a Poisson process can sometimes be accounted for by the non-stationary Poisson process and more complex models, such as clustered release, are not always needed.

  4. Model of non-stationary, inhomogeneous turbulence

    NASA Astrophysics Data System (ADS)

    Bragg, Andrew D.; Kurien, Susan; Clark, Timothy T.

    2016-07-01

    We compare results from a spectral model for non-stationary, inhomogeneous turbulence (Besnard et al. in Theor Comp Fluid Dyn 8:1-35, 1996) with direct numerical simulation (DNS) data of a shear-free mixing layer (SFML) (Tordella et al. in Phys Rev E 77:016309, 2008). The SFML is used as a test case in which the efficacy of the model closure for the physical-space transport of the fluid velocity field can be tested in a flow with inhomogeneity, without the additional complexity of mean-flow coupling. The model is able to capture certain features of the SFML quite well for intermediate to long times, including the evolution of the mixing-layer width and turbulent kinetic energy. At short-times, and for more sensitive statistics such as the generation of the velocity field anisotropy, the model is less accurate. We propose two possible causes for the discrepancies. The first is the local approximation to the pressure-transport and the second is the a priori spherical averaging used to reduce the dimensionality of the solution space of the model, from wavevector to wavenumber space. DNS data are then used to gauge the relative importance of both possible deficiencies in the model.

  5. Understanding the solution phase chemistry and solid state thermodynamic behavior of pharmaceutical cocrystals

    NASA Astrophysics Data System (ADS)

    Maheshwari, Chinmay

    Cocrystals have drawn a lot of research interest in the last decade due to their potential to favorably alter the physicochemical and biopharmaceutical properties of active pharmaceutical ingredients. This dissertation focuses on the thermodynamic stability and solubility of pharmaceutical cocrystals. Specifically, the objectives are to; (i) investigate the influence of coformer properties such as solubility and ionization characteristics on cocrystal solubility and stability as a function of pH, (ii) to measure the thermodynamic solubility of metastable cocrystals, and study the solubility differences measured by kinetic and equilibrium methods, (iii) investigate the role of surfactants on the solubility and synthesis of cocrystals, (iv) investigate the solid state phase transformation of reactants to cocrystals and the factors that influence the reaction kinetics and, (v) provide models that enable the prediction of cocrystal formation by calculating the free energy of formation for a solid to solid transformation of reactants to cocrystals. Cocrystal solubilities were measured directly when cocrystals were thermodynamically stable, while solubilities were calculated from eutectic concentration measurements when cocrystals were of higher solubility than its components. Cocrystal solubility was highly dependent on coformer solubilities for gabapentin-lactam and lamotrigine cocrystals. It was found that melting point is not a good indicator of cocrystal solubility as solute-solvent interactions quantified by the activity coefficient play a huge role in the observed solubility. Similar to salts, cocrystals also exhibit pHmax, however the salts and cocrystals have different dependencies on the parameters that govern the value of pHmax. It is also shown that cocrystals could provide solubility advantage over salts as lamotrigine-nicotinamide cocrystal hydrate has about 6 fold higher solubility relative to lamotrigine-saccharin salt. In the case of mixtures of solid

  6. Existence and stability of periodic solution of a Lotka-Volterra predator-prey model with state dependent impulsive effects

    NASA Astrophysics Data System (ADS)

    Nie, Linfei; Peng, Jigen; Teng, Zhidong; Hu, Lin

    2009-02-01

    According to biological and chemical control strategy for pest, we investigate the dynamic behavior of a Lotka-Volterra predator-prey state-dependent impulsive system by releasing natural enemies and spraying pesticide at different thresholds. By using Poincaré map and the properties of the Lambert W function, we prove that the sufficient conditions for the existence and stability of semi-trivial solution and positive periodic solution. Numerical simulations are carried out to illustrate the feasibility of our main results.

  7. Molecular structures and protonation state of 2-Mercaptopyridine in aqueous solution

    NASA Astrophysics Data System (ADS)

    Eckert, S.; Miedema, P. S.; Quevedo, W.; O'Cinneide, B.; Fondell, M.; Beye, M.; Pietzsch, A.; Ross, M.; Khalil, M.; Föhlisch, A.

    2016-03-01

    The speciation of 2-Mercaptopyridine in aqueous solution has been investigated with nitrogen 1s Near Edge X-ray Absorption Fine Structure spectroscopy and time dependent Density Functional Theory. The prevalence of distinct species as a function of the solvent basicity is established. No indications of dimerization towards high concentrations are found. The determination of different molecular structures of 2-Mercaptopyridine in aqueous solution is put into the context of proton-transfer in keto-enol and thione-thiol tautomerisms.

  8. A method of adaptive wavelet filtering of the peripheral blood flow oscillations under stationary and non-stationary conditions.

    PubMed

    Tankanag, Arina V; Chemeris, Nikolay K

    2009-10-01

    The paper describes an original method for analysis of the peripheral blood flow oscillations measured with the laser Doppler flowmetry (LDF) technique. The method is based on the continuous wavelet transform and adaptive wavelet theory and applies an adaptive wavelet filtering to the LDF data. The method developed allows one to examine the dynamics of amplitude oscillations in a wide frequency range (from 0.007 to 2 Hz) and to process both stationary and non-stationary short (6 min) signals. The capabilities of the method have been demonstrated by analyzing LDF signals registered in the state of rest and upon humeral occlusion. The paper shows the main advantage of the method proposed, which is the significant reduction of 'border effects', as compared to the traditional wavelet analysis. It was found that the low-frequency amplitudes obtained by adaptive wavelets are significantly higher than those obtained by non-adaptive ones. The method suggested would be useful for the analysis of low-frequency components of the short-living transitional processes under the conditions of functional tests. The method of adaptive wavelet filtering can be used to process stationary and non-stationary biomedical signals (cardiograms, encephalograms, myograms, etc), as well as signals studied in the other fields of science and engineering.

  9. A closed-form solution for steady-state coupled phloem/xylem flow using the Lambert-W function.

    PubMed

    Hall, A J; Minchin, P E H

    2013-12-01

    A closed-form solution for steady-state coupled phloem/xylem flow is presented. This incorporates the basic Münch flow model of phloem transport, the cohesion model of xylem flow, and local variation in the xylem water potential and lateral water flow along the transport pathway. Use of the Lambert-W function allows this solution to be obtained under much more general and realistic conditions than has previously been possible. Variation in phloem resistance (i.e. viscosity) with solute concentration, and deviations from the Van't Hoff expression for osmotic potential are included. It is shown that the model predictions match those of the equilibrium solution of a numerical time-dependent model based upon the same mechanistic assumptions. The effect of xylem flow upon phloem flow can readily be calculated, which has not been possible in any previous analytical model. It is also shown how this new analytical solution can handle multiple sources and sinks within a complex architecture, and can describe competition between sinks. The model provides new insights into Münch flow by explicitly including interactions with xylem flow and water potential in the closed-form solution, and is expected to be useful as a component part of larger numerical models of entire plants.

  10. Some Classes of Imperfect Information Finite State-Space Stochastic Games with Finite-Dimensional Solutions

    SciTech Connect

    McEneaney, William M.

    2004-08-15

    Stochastic games under imperfect information are typically computationally intractable even in the discrete-time/discrete-state case considered here. We consider a problem where one player has perfect information.A function of a conditional probability distribution is proposed as an information state.In the problem form here, the payoff is only a function of the terminal state of the system,and the initial information state is either linear ora sum of max-plus delta functions.When the initial information state belongs to these classes, its propagation is finite-dimensional.The state feedback value function is also finite-dimensional,and obtained via dynamic programming,but has a nonstandard form due to the necessity of an expanded state variable.Under a saddle point assumption,Certainty Equivalence is obtained and the proposed function is indeed an information state.

  11. Structural Characterization of Humic Materials Using ^13C NMR Techniques: A Comparison of Solution- and Solid-State Methods

    NASA Astrophysics Data System (ADS)

    Clewett, Catherine; Alam, Todd; Osantowski, Eric; Pullin, Michael

    2011-10-01

    The analysis of the carbon type distribution and chemical structure of natural organic matter (NOM) by ^13C NMR spectroscopy is an important technique for understanding its origins and reactivity. While prior work has used solution-state NMR techniques, solid-state NMR has the potential to provide this information using less instrument time and sample manipulation, while providing an array of advanced filtering techniques. Analyses of four isolated humic materials with ^13C solid-state magic angle spinning (MAS) NMR techniques are described, including three commercially available samples and one fulvic acid sample isolated from the Rio Grande in New Mexico. This study demonstrates the utility of solid-state ^13C NMR for aquatic NOM structural characterization, comparing these results to the existing solution-state determinations. The solid-state ^13C MAS NMR results are used to determine % carbon distribution, estimates of elemental composition (%C, %H, %(O+N)), aromatic fraction (fa), nonprotonated aromatic fraction (faN), an estimate of aromatic cluster size, and ratio of sp^2 to sp^3 carbons. A Gaussian deconvolution method is introduced that allows for a detailed analysis of carbon type.

  12. Distorted stationary rotating black holes

    NASA Astrophysics Data System (ADS)

    Shoom, Andrey A.

    2015-03-01

    We study the interior of distorted stationary rotating black holes on the example of a Kerr black hole distorted by external static and axisymmetric mass distribution. We show that there is a duality transformation between the outer and inner horizons of the black hole, which is different from that of an electrically charged static distorted black hole. The duality transformation is directly related to the discrete symmetry of the space-time. The black hole horizon areas, surface gravity, and angular momentum satisfy the Smarr formula constructed for both the horizons. We formulate the zeroth, the first, and the second laws of black hole thermodynamics for both the horizons of the black hole and show the correspondence between the local and the global forms of the first law. The Smarr formula and the laws of thermodynamics formulated for both the horizons are related by the duality transformation. The distortion is illustrated on the example of a quadrupole and octupole fields. The distortion fields noticeably affect the proper time of a free fall from the outer to the inner horizon of the black hole along the symmetry semiaxes. There is some minimal nonzero value of the quadrupole and octupole moments when the time becomes minimal. The minimal proper time indicates the closest approach of the horizons due to the distortion.

  13. Stationary Plasma Thruster Plume Characteristics

    NASA Technical Reports Server (NTRS)

    Myers, Roger M.; Manzella, David H.

    1994-01-01

    Stationary Plasma Thrusters (SPT's) are being investigated for application to a variety of near-term missions. This paper presents the results of a preliminary study of the thruster plume characteristics which are needed to assess spacecraft integration requirements. Langmuir probes, planar probes, Faraday cups, and a retarding potential analyzer were used to measure plume properties. For the design operating voltage of 300 V the centerline electron density was found to decrease from approximately 1.8 x 10 exp 17 cubic meters at a distance of 0.3 m to 1.8 X 10 exp 14 cubic meters at a distance of 4 m from the thruster. The electron temperature over the same region was between 1.7 and 3.5 eV. Ion current density measurements showed that the plume was sharply peaked, dropping by a factor of 2.6 within 22 degrees of centerline. The ion energy 4 m from the thruster and 15 degrees off-centerline was approximately 270 V. The thruster cathode flow rate and facility pressure were found to strongly affect the plume properties. In addition to the plume measurements, the data from the various probe types were used to assess the impact of probe design criteria

  14. Ultrafast excited-state deactivation of 9-methylhypoxanthine in aqueous solution: A QM/MM MD study.

    PubMed

    Guo, Xugeng; Yuan, Huijuan; An, Beibei; Zhu, Qiuling; Zhang, Jinglai

    2016-04-21

    Photoinduced ultrafast non-adiabatic decay of 9-methylhypoxanthine (9MHPX) in aqueous solution was investigated by ab initio surface-hopping dynamics calculations using a combined quantum mechanical/molecular mechanical approach. The absorption spectra of 9MHPX in aqueous solution were also explored by the hybrid cluster-continuum model at the level of time-dependent density functional theory along with the polarizable continuum model (PCM). The static electronic-structure calculations indicate that the absorption spectra of 9MHPX simulated by TD-B3LYP/PCM and TD-X3LYP/PCM can reproduce very well the experimental findings, with the accuracy of about 0.20 eV. According to dynamics simulations, irradiation of 9MHPX populates the bright excited singlet S1 state, which may undergo an ultrafast non-radiative deactivation to the S0 state. The lifetime of the S1 state of 9MHPX in aqueous solution is predicted to be 115.6 fs, slightly longer than that in the gas phase (88.8 fs), suggesting that the solventwater has no significant influence on the excited-state lifetime of 9MHPX. Such a behavior in 9MHPX is distinctly different from its parent hypoxanthine keto-N9H tautomer in which the excited-state lifetime of the latter in watersolution was remarkably enhanced as compared to the gas phase. The significant difference of the photodynamical behaviors between 9MHPX and keto-N9H can be ascribed to their different hydrogen bond environment in aqueous solution. PMID:27389219

  15. Solid-state and solution-state coordination chemistry of lanthanide(III) complexes with α-hydroxyisobutyric acid.

    PubMed

    Chen, Xiao-Yan; Goff, George S; Ewing, William C; Scott, Brian L; Runde, Wolfgang

    2012-12-17

    Despite the wide range of applications of α-hydroxyisobutyric acid (HIBA) in biochemical processes, pharmaceutical formulations, and group and elemental separations of lanthanides and actinides, the structures and geometries of lanthanide-HIBA complexes are still not well understood. We reacted HIBA with lanthanides in aqueous solution at pH = 5 and synthesized 14 lanthanide-HIBA complexes of the formula [Ln(HIBA)(2)(H(2)O)(2)](NO(3))·H(2)O (Ln = La (1), Ce (2), Pr (3), Nd (4), Sm (5), Eu (6), Gd (7), Tb (8), Dy (9), Ho (10), Er (11), Tm (12), Yb (13), Lu (14)), isolating single crystals (1-7, 10, and 11) and powders (8, 9, and 12-14). Both single-crystal and powder X-ray diffraction studies reveal a two-dimensional extended structure across the entire lanthanide series. The environment around the eight-coordinated Ln(III) atom is best described as a distorted dodecahedron, where HIBA acts as a monoanionic tridentate ligand with one carboxylato oxygen atom and one hydroxyl oxygen atom chelating to one Ln(III) center. The carboxylato oxygen atom from a second HIBA ligand bridges to a neighboring Ln(III) atom to form a two-dimensional extended structure. While the coordination mode for HIBA is identical across the lanthanide series, three different structure types are found for La, Ce-Ho, and Er-Lu. Solution characterization using (13)C NMR further confirmed a single solution complex under the crystallization conditions. Raman and UV-vis-NIR absorbance and diffuse reflectance spectra of HIBA-Ln(III) complexes were also measured.

  16. Classical states of an electric dipole in an external magnetic field: Complete solution for the center of mass and trapped states

    SciTech Connect

    Atenas, Boris; Pino, Luis A. del; Curilef, Sergio

    2014-11-15

    We study the classical behavior of an electric dipole in the presence of a uniform magnetic field. Using the Lagrangian formulation, we obtain the equations of motion, whose solutions are represented in terms of Jacobi functions. We also identify two constants of motion, namely, the energy E and a pseudomomentumC{sup →}. We obtain a relation between the constants that allows us to suggest the existence of a type of bound states without turning points, which are called trapped states. These results are consistent with and complementary to previous results. - Highlights: • Bound states without turning points. • Lagrangian Formulation for an electric dipole in a magnetic field. • Motion of the center of mass and trapped states. • Constants of motion: pseudomomentum and energy.

  17. Classical states of an electric dipole in an external magnetic field: Complete solution for the center of mass and trapped states

    NASA Astrophysics Data System (ADS)

    Atenas, Boris; del Pino, Luis A.; Curilef, Sergio

    2014-11-01

    We study the classical behavior of an electric dipole in the presence of a uniform magnetic field. Using the Lagrangian formulation, we obtain the equations of motion, whose solutions are represented in terms of Jacobi functions. We also identify two constants of motion, namely, the energy E and a pseudomomentum C →. We obtain a relation between the constants that allows us to suggest the existence of a type of bound states without turning points, which are called trapped states. These results are consistent with and complementary to previous results.

  18. Stationary solutions for metapopulation Moran models with mutation and selection.

    PubMed

    Constable, George W A; McKane, Alan J

    2015-03-01

    We construct an individual-based metapopulation model of population genetics featuring migration, mutation, selection, and genetic drift. In the case of a single "island," the model reduces to the Moran model. Using the diffusion approximation and time-scale separation arguments, an effective one-variable description of the model is developed. The effective description bears similarities to the well-mixed Moran model with effective parameters that depend on the network structure and island sizes, and it is amenable to analysis. Predictions from the reduced theory match the results from stochastic simulations across a range of parameters. The nature of the fast-variable elimination technique we adopt is further studied by applying it to a linear system, where it provides a precise description of the slow dynamics in the limit of large time-scale separation. PMID:25871148

  19. Stationary solutions for metapopulation Moran models with mutation and selection

    NASA Astrophysics Data System (ADS)

    Constable, George W. A.; McKane, Alan J.

    2015-03-01

    We construct an individual-based metapopulation model of population genetics featuring migration, mutation, selection, and genetic drift. In the case of a single "island," the model reduces to the Moran model. Using the diffusion approximation and time-scale separation arguments, an effective one-variable description of the model is developed. The effective description bears similarities to the well-mixed Moran model with effective parameters that depend on the network structure and island sizes, and it is amenable to analysis. Predictions from the reduced theory match the results from stochastic simulations across a range of parameters. The nature of the fast-variable elimination technique we adopt is further studied by applying it to a linear system, where it provides a precise description of the slow dynamics in the limit of large time-scale separation.

  20. Stationary solutions for metapopulation Moran models with mutation and selection.

    PubMed

    Constable, George W A; McKane, Alan J

    2015-03-01

    We construct an individual-based metapopulation model of population genetics featuring migration, mutation, selection, and genetic drift. In the case of a single "island," the model reduces to the Moran model. Using the diffusion approximation and time-scale separation arguments, an effective one-variable description of the model is developed. The effective description bears similarities to the well-mixed Moran model with effective parameters that depend on the network structure and island sizes, and it is amenable to analysis. Predictions from the reduced theory match the results from stochastic simulations across a range of parameters. The nature of the fast-variable elimination technique we adopt is further studied by applying it to a linear system, where it provides a precise description of the slow dynamics in the limit of large time-scale separation.

  1. Collagen functionalized with unsaturated cyclic anhydrides-interactions in solution and solid state.

    PubMed

    Potorac, S; Popa, M; Picton, L; Dulong, V; Verestiuc, L; Le Cerf, D

    2014-03-01

    Maleic anhydride (CMA) and itaconic anhydride modified collagen (CITA) were prepared as precursors for production of interpenetrated polymer networks (IPN). Calculated values for Huggins coefficient in aqueous diluted and semi-diluted solutions of modified collagen indicated a slightly tendency of aggregation for itaconic anhydride-modified collagen. In semi-diluted solution collagen (Coll) and CMA present slightly differences in the thixotropic behavior, while CITA has a pronounced thixotropic behavior. Flow and oscillatory measurements revealed an elastic behavior of the collagen solutions, pure and modified with MA or ITA, as the storage modulus (G') has always a superior value compared with the loss modulus (G″). The denaturation temperature (Td) of unmodified collagen increased from 34°C to 40°C for CMA and to 39°C for CITA respectively, by formation of covalent bonds that stabilize the triple helix. PMID:23784667

  2. Genetics Home Reference: autosomal dominant congenital stationary night blindness

    MedlinePlus

    ... stationary night blindness autosomal dominant congenital stationary night blindness Enable Javascript to view the expand/collapse boxes. ... Close All Description Autosomal dominant congenital stationary night blindness is a disorder of the retina , which is ...

  3. Structural Changes Associated with Transthyretin Misfolding and Amyloid Formation Revealed by Solution and Solid-State NMR.

    PubMed

    Lim, Kwang Hun; Dasari, Anvesh K R; Hung, Ivan; Gan, Zhehong; Kelly, Jeffery W; Wemmer, David E

    2016-04-01

    Elucidation of structural changes involved in protein misfolding and amyloid formation is crucial for unraveling the molecular basis of amyloid formation. Here we report structural analyses of the amyloidogenic intermediate and amyloid aggregates of transthyretin using solution and solid-state nuclear magnetic resonance (NMR) spectroscopy. Our solution NMR results show that one of the two main β-sheet structures (CBEF β-sheet) is maintained in the aggregation-competent intermediate, while the other DAGH β-sheet is more flexible on millisecond time scales. Magic-angle-spinning solid-state NMR revealed that AB loop regions interacting with strand A in the DAGH β-sheet undergo conformational changes, leading to the destabilized DAGH β-sheet. PMID:26998642

  4. Steady-state thermal-solutal diffusion in a float zone

    NASA Technical Reports Server (NTRS)

    Young, G. W.; Chait, A.

    1989-01-01

    A model for a float zone in a thin vertical sheet is used to study the formation of the zone configuration for both pure and binary systems of Si and GeGa. Equations describing the steady two-dimensional diffusion of solute in the melt and diffusion of heat in the feed material and the product crystal are presented. The material properties, asymptotic solutions for the temperature and concentration profiles, and melting, solidifying, and melt/gas interfacial shapes are determined in the small aspect ratio limit.

  5. Estimation of salt water upconing using a steady-state solution for partial completion of a pumped well.

    PubMed

    Garabedian, Stephen P

    2013-01-01

    A new steady-state analytical solution to the two-dimensional radial-flow equation was developed for drawdown (head) conditions in an aquifer with constant transmissivity, no-flow conditions at the top and bottom, constant head conditions at a known radial distance, and a partially completed pumping well. The solution was evaluated for accuracy by comparison to numerical simulations using MODFLOW. The solution was then used to estimate the rise of the salt water-fresh water interface (upconing) that occurs under a pumping well, and to calculate the critical pumping rate at which the interface becomes unstable, allowing salt water to enter the pumping well. The analysis of salt water-fresh water interface rise assumed no significant effect on upconing by recharge; this assumption was tested and supported using results from a new steady-state analytical solution developed for recharge under two-dimensional radial-flow conditions. The upconing analysis results were evaluated for accuracy by comparison to those from numerical simulations using SEAWAT for salt water-fresh water interface positions under mild pumping conditions. The results from the equation were also compared with those of a published numerical sharp-interface model applied to a case on Cape Cod, Massachusetts. This comparison indicates that estimating the interface rise and maximum allowable pumping rate using the analytical method will likely be less conservative than the maximum allowable pumping rate and maximum stable interface rise from a numerical sharp-interface model.

  6. Stability of curcumin in different solvent and solution media: UV-visible and steady-state fluorescence spectral study.

    PubMed

    Mondal, Satyajit; Ghosh, Soumen; Moulik, Satya P

    2016-05-01

    In aqueous solution, curcumin is photodegradable (light sensitive), it is also self-degradable in the dark. In basic medium, the second process is enhanced. The dark process has been studied in water and also in a number of protic and aprotic solvents, and aqueous solutions of ionic liquids, pluronics, reverse micelles and salt. The kinetics of the process followed the first order rate law; a comparative as well as individual assessment of which has been made. The kinetics of curcumin self-degradation has been found to be fairly dependent on salt (NaCl) concentration. Curcumin molecules in solution may remain in the enol or keto-enol form. From the visible spectral analysis, an estimate of the proportions of these forms in aqueous ethanol medium has been made. The temperature effect on the visible and fluorescence spectra of curcumin has been also studied. The steady state fluorescence anisotropy of the photoactive curcumin has been evaluated in different solvent and solution media. The reversibility of the steady state fluorescence anisotropy of curcumin on heating and cooling conditions has been examined. The results herein presented are new and ought to be useful as the study of physicochemistry of curcumin has been gaining importance in the light of its biological importance. PMID:26985735

  7. Steady-state composition of a two-component gas bubble growing in a liquid solution: self-similar approach.

    PubMed

    Gor, G Yu; Kuchma, A E

    2009-12-21

    The paper presents an analytical description of the growth of a two-component bubble in a binary liquid-gas solution. We obtain asymptotic self-similar time dependence of the bubble radius and analytical expressions for the nonsteady profiles of dissolved gases around the bubble. We show that the necessary condition for the self-similar regime of bubble growth is the constant, steady-state composition of the bubble. The equation for the steady-state composition is obtained. We reveal the dependence of the steady-state composition on the solubility laws of the bubble components. Besides, the universal, independent from the solubility laws, expressions for the steady-state composition are obtained for the case of strong supersaturations, which are typical for the homogeneous nucleation of a bubble.

  8. Dynamical response to a stationary tidal field

    NASA Astrophysics Data System (ADS)

    Landry, Philippe; Poisson, Eric

    2015-12-01

    We demonstrate that a slowly rotating compact body subjected to a stationary tidal field undergoes a dynamical response, in which the fluid variables and the interior metric vary on the time scale of the rotation period. This dynamical response requires the tidal field to have a gravitomagnetic component generated by external mass currents; the response to a gravitoelectric tidal field is stationary. We confirm that in a calculation carried out to first order in the body's rotation, the exterior geometry bears no trace of this internal dynamics; it remains stationary in spite of the time-dependent interior.

  9. Engineering solutions for the long-term stabilization and isolation of uranium mill tailings in the United States

    SciTech Connect

    Lommler, J.C.; Cormier, C.; Sanders, D.R.

    1995-12-31

    Engineering solutions for the safe and environmentally protective disposal and isolation of uranium mill tailings in the United States include many factors. Among the factors discussed in this paper are cover design, materials selection, civil engineering, erosive forces, and cost effectiveness. Stabilization and isolation of tailings from humans and the environment are the primary goals of United States uranium mill tailings control standards. The performance of cover designs is addressed with respect to water infiltration, radon exhalation, geotechnical stability, erosion protection, human and animal intrusion prevention, and longevity. The need for and frequency of surveillance efforts to ensure continued disposal system performance are also assessed.

  10. Coefficients for solution of the analytical freezing equation in the range of states for rapid solidification of biological systems.

    PubMed

    Diller, K R

    1990-01-01

    Solution of the classical solidification heat transfer problem for many biological applications involves states for which roots of the transcendental equation associated with the governing differential equation are not available. These roots are calculated and presented for conditions that characterize a large ratio of solid to liquid phase thermal conductivities and diffusivities and large differences between the initial and final temperatures for the cooling process.

  11. An inversion-relaxation approach for sampling stationary points of spin model Hamiltonians

    NASA Astrophysics Data System (ADS)

    Hughes, Ciaran; Mehta, Dhagash; Wales, David J.

    2014-05-01

    Sampling the stationary points of a complicated potential energy landscape is a challenging problem. Here, we introduce a sampling method based on relaxation from stationary points of the highest index of the Hessian matrix. We illustrate how this approach can find all the stationary points for potentials or Hamiltonians bounded from above, which includes a large class of important spin models, and we show that it is far more efficient than previous methods. For potentials unbounded from above, the relaxation part of the method is still efficient in finding minima and transition states, which are usually the primary focus of attention for atomistic systems.

  12. Glucaminium ionic liquid-functionalized stationary phase for the separation of nucleosides in hydrophilic interaction chromatography.

    PubMed

    Jiang, Qiong; Zhang, Mingliang; Wang, Xusheng; Guo, Yong; Qiu, Hongdeng; Zhang, Shusheng

    2015-10-01

    A glucaminium-based ionic liquid stationary phase was prepared via facile epoxy-amine reaction and subsequent quaternization. Successful immobilization of glucaminium-based ionic liquid onto silica surface was validated by elemental analysis and infrared spectroscopy. The new stationary phase was evaluated for the separation of nucleosides in hydrophilic interaction liquid chromatography (HILIC). Effects of various factors, such as acetonitrile concentration, salt concentration, pH value, as well as column temperature, on the chromatographic behavior toward nucleosides were studied in detail. The results indicated that this new stationary phase can be used for separation of water-soluble polar substances in HILIC mode. The retention of solutes on the stationary phase was influenced by a mixed-mode retention mechanism with a combination of adsorptive and partitioning interactions. PMID:26231689

  13. Theoretical prediction of stationary positions in the rectangular chamber during asymmetric electroosmotic flow

    NASA Technical Reports Server (NTRS)

    1985-01-01

    Most microscopic cell electrophoretic work depends on the theortical prediction of stationary positions by Smoluchowski and Komagata. Their theoretical solutions are based on the assumption that the electroosmotic flow in a chamber is symmetric. Because experiences with the rectangular chamber indicate that symmetric flow occurs during less than 8% of the experiments, the existing theory for stationary position determination is expanded to include the more general case of asymmetric flow. Smoluchowski's equation for symmetric electroosmotic flow in a rectangular chamber having a width much smaller than its height or length is examined. Smoluchowski's approach is used to approximate stationary positions in rectangular chambers with height/width ratios greater than 40. Support for the theoretical prediction of stationary positions using is given by three types of experimental evidence.

  14. Glucaminium ionic liquid-functionalized stationary phase for the separation of nucleosides in hydrophilic interaction chromatography.

    PubMed

    Jiang, Qiong; Zhang, Mingliang; Wang, Xusheng; Guo, Yong; Qiu, Hongdeng; Zhang, Shusheng

    2015-10-01

    A glucaminium-based ionic liquid stationary phase was prepared via facile epoxy-amine reaction and subsequent quaternization. Successful immobilization of glucaminium-based ionic liquid onto silica surface was validated by elemental analysis and infrared spectroscopy. The new stationary phase was evaluated for the separation of nucleosides in hydrophilic interaction liquid chromatography (HILIC). Effects of various factors, such as acetonitrile concentration, salt concentration, pH value, as well as column temperature, on the chromatographic behavior toward nucleosides were studied in detail. The results indicated that this new stationary phase can be used for separation of water-soluble polar substances in HILIC mode. The retention of solutes on the stationary phase was influenced by a mixed-mode retention mechanism with a combination of adsorptive and partitioning interactions.

  15. Construction of quasi-periodic solutions of state-dependent delay differential equations by the parameterization method II: Analytic case

    NASA Astrophysics Data System (ADS)

    He, Xiaolong; de la Llave, Rafael

    2016-08-01

    We construct analytic quasi-periodic solutions of a state-dependent delay differential equation with quasi-periodically forcing. We show that if we consider a family of problems that depends on one dimensional parameters (with some non-degeneracy conditions), there is a positive measure set Π of parameters for which the system admits analytic quasi-periodic solutions. The main difficulty to be overcome is the appearance of small divisors and this is the reason why we need to exclude parameters. Our main result is proved by a Nash-Moser fast convergent method and is formulated in the a-posteriori format of numerical analysis. That is, given an approximate solution of a functional equation which satisfies some non-degeneracy conditions, we can find a true solution close to it. This is in sharp contrast with the finite regularity theory developed in [18]. We conjecture that the exclusion of parameters is a real phenomenon and not a technical difficulty. More precisely, for generic families of perturbations, the quasi-periodic solutions are only finitely differentiable in open sets in the complement of parameters set Π.

  16. Solid state synthesis, crystal growth and optical properties of urea and p-chloronitrobenzene solid solution

    NASA Astrophysics Data System (ADS)

    Rai, R. N.; Kant, Shiva; Reddi, R. S. B.; Ganesamoorthy, S.; Gupta, P. K.

    2016-01-01

    Urea is an attractive material for frequency conversion of high power lasers to UV (for wavelength down to 190 nm), but its usage is hindered due to its hygroscopic nature, though there is no alternative organic NLO crystal which could be transparent up to 190 nm. The hygroscopic character of urea has been modified by making the solid solution (UCNB) of urea (U) and p-chloronitrobenzene (CNB). The formation of the solid solution of CNB in U is explained on the basis of phase diagram, powder XRD, FTIR, elemental analysis and single crystal XRD studies. The solubility of U, CNB and UCNB in ethanol solution is evaluated at different temperatures. Transparent single crystals of UCNB are grown from its saturated solution in ethanol. Optical properties e.g., second harmonic generation (SHG), refractive index and the band gap for UCNB crystal were measured and their values were compared with the parent compounds. Besides modification in hygroscopic nature, UCNB has also shown the higher SHG signal and mechanical hardness in comparison to urea crystal.

  17. Summary of States' Strategies for ESEA Priority Schools. Solutions. Issue No. 6

    ERIC Educational Resources Information Center

    Perlman, Carole

    2013-01-01

    By the end of 2013, 42 states and the District of Columbia have been granted flexibility regarding specific requirements of the No Child Left Behind Act of 2001 (NCLB) in exchange for rigorous and comprehensive state-developed plans designed to improve educational outcomes for all students, close achievement gaps, increase equity, and improve the…

  18. Summary of States' Strategies and Consequences for ESEA Focus Schools. Solutions. Issue Number 2

    ERIC Educational Resources Information Center

    Perlman, Carole

    2013-01-01

    As of January 1, 2013, 34 states and the District of Columbia have been granted waivers from certain provisions of the Elementary and Secondary Education Act (ESEA). Part of each successful flexibility application was a state accountability system that could identify priority schools (the lowest performing 5% of Title 1 schools) and focus schools…

  19. Gravitational and mass distribution effects on stationary superwinds

    NASA Astrophysics Data System (ADS)

    Añorve-Zeferino, G. A.

    2016-11-01

    Here, we model the effect of non-uniform dynamical mass distributions and their associated gravitational fields on the stationary galactic superwind solution. We do this by considering an analogue injection of mass and energy from stellar winds and SNe. We consider both compact dark-matter and baryonic haloes that does not extend further from the galaxies optical radii Ropt as well as extended gravitationally interacting ones. We consider halo profiles that emulate the results of recent cosmological simulations and coincide also with observational estimations from galaxy surveys. This allows us to compare the analytical superwind solution with outflows from different kinds of galaxies. We give analytical formulae that establish when an outflow is possible and also characterize distinct flow regimes and enrichment scenarios. We also constraint the parameter space by giving approximate limits above which gravitation, self-gravitation and radiative cooling can inhibit the stationary flow. We obtain analytical expressions for the free superwind hydrodynamical profiles. We find that the existence or inhibition of the superwind solution highly depends on the steepness and concentration of the dynamical mass and the mass and energy injection rates. We compare our results with observational data and a recent numerical work. We put our results in the context of the mass-metallicity relationship to discuss observational evidence related to the selective loss of metals from the least massive galaxies and also discuss the case of massive galaxies.

  20. Gravitational and mass distribution effects on stationary superwinds.

    NASA Astrophysics Data System (ADS)

    Añorve-Zeferino, G. A.

    2016-08-01

    Here, we model the effect of non-uniform dynamical mass distributions and their associated gravitational fields on the stationary galactic superwind solution. We do this by considering an analogue injection of mass and energy from stellar winds and SNe. We consider both compact dark-matter and baryonic haloes that does not extend further from the galaxies optical radii Ropt as well as extended gravitationally-interacting ones. We consider halo profiles that emulate the results of recent cosmological simulations and coincide also with observational estimations from galaxy surveys. This allows to compare the analytical superwind solution with outflows from different kinds of galaxies. We give analytical formulae that establish when an outflow is possible and also characterize distinct flow regimes and enrichment scenarios. We also constraint the parameter space by giving approximate limits above which gravitation, self-gravitation and radiative cooling can inhibit the stationary flow. We obtain analytical expressions for the free superwind hydrodynamical profiles. We find that the existence or inhibition of the superwind solution highly depends on the steepness and concentration of the dynamical mass and the mass and energy injection rates. We compare our results with observational data and a recent numerical work. We put our results in the context of the mass-metallicity relationship to discuss observational evidence related to the selective loss of metals from the least massive galaxies and also discuss the case of massive galaxies.

  1. Dissipative double-well potential: Nonlinear stationary and pulsating modes

    SciTech Connect

    Zezyulin, Dmitry A.; Konotop, Vladimir V.; Alfimov, Georgy L.

    2010-11-15

    The analysis of nonlinear modes in a complex absorbing double-well potential supported by linear gain is presented. Families of the nonlinear modes and their bifurcations are found numerically by means of the properly modified 'shooting' method. Linear stability and dynamics of the modes are studied. It is shown that no stable modes exist in the case of attractive nonlinearity, while stable modes, including nonsymmetric ones, are found when the nonlinearity is repulsive. Varying a control parameter (e.g., the height of barrier between the wells) results in switching from one mode to another. Apart from stationary modes we have found pulsating solutions emergent from unstable modes.

  2. Stationary phase deposition based on onium salts

    DOEpatents

    Wheeler, David R.; Lewis, Patrick R.; Dirk, Shawn M.; Trudell, Daniel E.

    2008-01-01

    Onium salt chemistry can be used to deposit very uniform thickness stationary phases on the wall of a gas chromatography column. In particular, the stationary phase can be bonded to non-silicon based columns, especially microfabricated metal columns. Non-silicon microfabricated columns may be manufactured and processed at a fraction of the cost of silicon-based columns. In addition, the method can be used to phase-coat conventional capillary columns or silicon-based microfabricated columns.

  3. Efficient solution of liquid state integral equations using the Newton-GMRES algorithm

    NASA Astrophysics Data System (ADS)

    Booth, Michael J.; Schlijper, A. G.; Scales, L. E.; Haymet, A. D. J.

    1999-06-01

    We present examples of the accurate, robust and efficient solution of Ornstein-Zernike type integral equations which describe the structure of both homogeneous and inhomogeneous fluids. In this work we use the Newton-GMRES algorithm as implemented in the public-domain nonlinear Krylov solvers NKSOL [ P. Brown, Y. Saad, SIAM J. Sci. Stat. Comput. 11 (1990) 450] and NITSOL [ M. Pernice, H.F. Walker, SIAM J. Sci. Comput. 19 (1998) 302]. We compare and contrast this method with more traditional approaches in the literature, using Picard iteration (successive-substitution) and hybrid Newton-Raphson and Picard methods, and a recent vector extrapolation method [ H.H.H. Homeier, S. Rast, H. Krienke, Comput. Phys. Commun. 92 (1995) 188]. We find that both the performance and ease of implementation of these nonlinear solvers recommend them for the solution of this class of problem.

  4. An alternative scheme to find glass state solutions using integral equation theory for the pair structure

    NASA Astrophysics Data System (ADS)

    Bomont, Jean-Marc; Pastore, Giorgio

    2015-09-01

    We propose and discuss a straightforward search protocol for the glass-like solutions of the integral equations of the two-replica approach to the random first-order transition theory of the liquid-glass transition. The new numerical strategy supplements those recently introduced by Jean-Pierre Hansen and ourselves. A few results for inverse power (1/r12) fluid are discussed and critically compared with results from other approaches.

  5. Concentration selective hydration and phase states of hydroxyethyl cellulose (HEC) in aqueous solutions.

    PubMed

    Arfin, Najmul; Bohidar, H B

    2012-04-01

    Solution behaviour of hydroxyethyl cellulose (HEC) is reported in the polymer concentration range spanning over two decades (c=0.002-5% (w/v)). The results conclude the following: (i) dilute solution regime prevailed for c<0.2% (w/v), flexible HEC fibres of typical length ≈ 1 μm and persistence length ≈ 10 nm were found here, (ii) for 0.2solution behaved with melt-like attributes with substantial embedded heterogeneity; viscous to elastic transition was observed in this region. Raman spectral, and DSC data indicated distinctive hydration of HEC fibres in the aforesaid concentration regimes. Cole-Cole plots revealed phase homogeneity and miscibility was limited to concentrations less than ~2% (w/v). For higher polymer concentrations, strong fibre-fibre interactions prevailed and samples became heterogeneous.

  6. Dampers for Stationary Labyrinth Seals

    NASA Technical Reports Server (NTRS)

    El-Aini, Yehia; Mitchell, William; Roberts, Lawrence; Montgomery, Stuart; Davis, Gary

    2011-01-01

    Vibration dampers have been invented that are incorporated as components within the stationary labyrinth seal assembly. These dampers are intended to supplement other vibration-suppressing features of labyrinth seals in order to reduce the incidence of high-cycle-fatigue failures, which have been known to occur in the severe vibratory environments of jet engines and turbopumps in which labyrinth seals are typically used. A vibration damper of this type includes several leaf springs and/or a number of metallic particles (shot) all held in an annular seal cavity by a retaining ring. The leaf springs are made of a spring steel alloy chosen, in conjunction with design parameters, to maintain sufficient preload to ensure effectiveness of damping at desired operating temperatures. The cavity is vented via a small radial gap between the retaining ring and seal housing. The damping mechanism is complex. In the case of leaf springs, the mechanism is mainly friction in the slippage between the seal housing and individual dampers. In the case of a damper that contains shot, the damping mechanism includes contributions from friction between individual particles, friction between particles and cavity walls, and dissipation of kinetic energy of impact. The basic concept of particle/shot vibration dampers has been published previously; what is new here is the use of such dampers to suppress traveling-wave vibrations in labyrinth seals. Damping effectiveness depends on many parameters, including, but not limited to, coefficient of friction, mode shape, and frequency and amplitude of vibrational modes. In tests, preloads of the order of 6 to 15 lb (2.72 to 6.8 kilograms) per spring damper were demonstrated to provide adequate damping levels. Effectiveness of shot damping of vibrations having amplitudes from 20 to 200 times normal terrestrial gravitational acceleration (196 to 1,960 meters per square second) and frequencies up to 12 kHz was demonstrated for shot sizes from 0.032 to

  7. Modeled heating and surface erosion comparing motile (gas borne) and stationary (surface coating) inert particle additives

    SciTech Connect

    Buckingham, A.C.; Siekhaus, W.J.

    1982-09-27

    The unsteady, non-similar, chemically reactive, turbulent boundary layer equations are modified for gas plus dispersed solid particle mixtures, for gas phase turbulent combustion reactions and for heterogeneous gas-solid surface erosive reactions. The exterior (ballistic core) edge boundary conditions for the solutions are modified to include dispersed particle influences on core propellant combustion-generated turbulence levels, combustion reactants and products, and reaction-induced, non-isentropic mixture states. The wall surface (in this study it is always steel) is considered either bare or coated with a fixed particle coating which is conceptually non-reactive, insulative, and non-ablative. Two families of solutions are compared. These correspond to: (1) consideration of gas-borne, free-slip, almost spontaneously mobile (motile) solid particle additives which influence the turbulent heat transfer at the uncoated steel surface and, in contrast, (2) consideration of particle-free, gas phase turbulent heat transfer to the insulated surface coated by stationary particles. Significant differences in erosive heat transfer are found in comparing the two families of solutions over a substantial range of interior ballistic flow conditions. The most effective influences on reducing erosive heat transfer appear to favor mobile, gas-borne particle additives.

  8. General three-state model with biased population replacement: analytical solution and application to language dynamics.

    PubMed

    Colaiori, Francesca; Castellano, Claudio; Cuskley, Christine F; Loreto, Vittorio; Pugliese, Martina; Tria, Francesca

    2015-01-01

    Empirical evidence shows that the rate of irregular usage of English verbs exhibits discontinuity as a function of their frequency: the most frequent verbs tend to be totally irregular. We aim to qualitatively understand the origin of this feature by studying simple agent-based models of language dynamics, where each agent adopts an inflectional state for a verb and may change it upon interaction with other agents. At the same time, agents are replaced at some rate by new agents adopting the regular form. In models with only two inflectional states (regular and irregular), we observe that either all verbs regularize irrespective of their frequency, or a continuous transition occurs between a low-frequency state, where the lemma becomes fully regular, and a high-frequency one, where both forms coexist. Introducing a third (mixed) state, wherein agents may use either form, we find that a third, qualitatively different behavior may emerge, namely, a discontinuous transition in frequency. We introduce and solve analytically a very general class of three-state models that allows us to fully understand these behaviors in a unified framework. Realistic sets of interaction rules, including the well-known naming game (NG) model, result in a discontinuous transition, in agreement with recent empirical findings. We also point out that the distinction between speaker and hearer in the interaction has no effect on the collective behavior. The results for the general three-state model, although discussed in terms of language dynamics, are widely applicable.

  9. General three-state model with biased population replacement: Analytical solution and application to language dynamics

    NASA Astrophysics Data System (ADS)

    Colaiori, Francesca; Castellano, Claudio; Cuskley, Christine F.; Loreto, Vittorio; Pugliese, Martina; Tria, Francesca

    2015-01-01

    Empirical evidence shows that the rate of irregular usage of English verbs exhibits discontinuity as a function of their frequency: the most frequent verbs tend to be totally irregular. We aim to qualitatively understand the origin of this feature by studying simple agent-based models of language dynamics, where each agent adopts an inflectional state for a verb and may change it upon interaction with other agents. At the same time, agents are replaced at some rate by new agents adopting the regular form. In models with only two inflectional states (regular and irregular), we observe that either all verbs regularize irrespective of their frequency, or a continuous transition occurs between a low-frequency state, where the lemma becomes fully regular, and a high-frequency one, where both forms coexist. Introducing a third (mixed) state, wherein agents may use either form, we find that a third, qualitatively different behavior may emerge, namely, a discontinuous transition in frequency. We introduce and solve analytically a very general class of three-state models that allows us to fully understand these behaviors in a unified framework. Realistic sets of interaction rules, including the well-known naming game (NG) model, result in a discontinuous transition, in agreement with recent empirical findings. We also point out that the distinction between speaker and hearer in the interaction has no effect on the collective behavior. The results for the general three-state model, although discussed in terms of language dynamics, are widely applicable.

  10. Structural study of low concentration LiCl aqueous solutions in the liquid, supercooled, and hyperquenched glassy states.

    PubMed

    Winkel, K; Seidl, M; Loerting, T; Bove, L E; Imberti, S; Molinero, V; Bruni, F; Mancinelli, R; Ricci, M A

    2011-01-14

    Neutron diffraction experiments on a solution of LiCl in water (R = 40) at ambient conditions and in the supercooled and hyperquenched states are reported and analyzed within the empirical potential structure refinement framework. Evidence for the modifications of the microscopic structure of the solvent in the presence of such a small amount of salt is found at all investigated thermodynamic states. On the other hand, it is evident that the structure of the hyperquenched salty sample is similar to that of pure low density amorphous water, although all the peaks of the radial distribution functions are broader in the present case. Changes upon supercooling or hyperquenching of the ion's hydration shells and contacts are of limited size and evidence for segregation phenomena at these states does not clearly show up, although the presence of water separated contacts between ion of the same sign is intriguing. PMID:21241128

  11. Time Dependent Solution for the He I Line Ratio Electron Temperature and Density Diagnostic in TEXTOR and DIII-D

    NASA Astrophysics Data System (ADS)

    Munoz Burgos, J. M.; Schmitz, O.; Unterberg, E. A.; Loch, S. D.; Balance, C. P.

    2010-11-01

    We developed a time dependent solution for the He I line ratio diagnostic. Stationary solution is applied for L-mode at TEXTOR. The radial range is typically limited to a region near the separatrix due to metastable effects, and the atomic data used. We overcome this problem by applying a time dependent solution and thus avoid unphysical results. We use a new R-Matrix with Pseudostates and Convergence Cross-Coupling electron impact excitation and ionization atomic data set into the Collisional Radiative Model (CRM). We include contributions from higher Rydberg states into the CRM by means of the projection matrix. By applying this solution (to the region near the wall) and the stationary solution (near the separatrix), we triple the radial range of the current diagnostic. We explore the possibility of extending this approach to H-mode plasmas in DIII-D by estimating line emission profiles from electron temperature and density Thomson scattering data.

  12. Stationary Liquid Fuel Fast Reactor

    SciTech Connect

    Yang, Won Sik; Grandy, Andrew; Boroski, Andrew; Krajtl, Lubomir; Johnson, Terry

    2015-09-30

    For effective burning of hazardous transuranic (TRU) elements of used nuclear fuel, a transformational advanced reactor concept named SLFFR (Stationary Liquid Fuel Fast Reactor) was proposed based on stationary molten metallic fuel. The fuel enters the reactor vessel in a solid form, and then it is heated to molten temperature in a small melting heater. The fuel is contained within a closed, thick container with penetrating coolant channels, and thus it is not mixed with coolant nor flow through the primary heat transfer circuit. The makeup fuel is semi- continuously added to the system, and thus a very small excess reactivity is required. Gaseous fission products are also removed continuously, and a fraction of the fuel is periodically drawn off from the fuel container to a processing facility where non-gaseous mixed fission products and other impurities are removed and then the cleaned fuel is recycled into the fuel container. A reference core design and a preliminary plant system design of a 1000 MWt TRU- burning SLFFR concept were developed using TRU-Ce-Co fuel, Ta-10W fuel container, and sodium coolant. Conservative design approaches were adopted to stay within the current material performance database. Detailed neutronics and thermal-fluidic analyses were performed to develop a reference core design. Region-dependent 33-group cross sections were generated based on the ENDF/B-VII.0 data using the MC2-3 code. Core and fuel cycle analyses were performed in theta-r-z geometries using the DIF3D and REBUS-3 codes. Reactivity coefficients and kinetics parameters were calculated using the VARI3D perturbation theory code. Thermo-fluidic analyses were performed using the ANSYS FLUENT computational fluid dynamics (CFD) code. Figure 0.1 shows a schematic radial layout of the reference 1000 MWt SLFFR core, and Table 0.1 summarizes the main design parameters of SLFFR-1000 loop plant. The fuel container is a 2.5 cm thick cylinder with an inner radius of 87.5 cm. The fuel

  13. Chain dimensions in free and immobilized brush states of polysulfobetaine in aqueous solution at various salt concentrations

    NASA Astrophysics Data System (ADS)

    Terayama, Y.; Arita, H.; Ishikawa, T.; Kikuchi, M.; Mitamura, K.; Kobayashi, M.; Yamada, N. L.; Takahara, A.

    2011-01-01

    The chain dimensions of free and immobilized polysulfobetaine in aqueous solution at various salt concentrations were investigated by size-exclusion chromatography with multiangle light scattering and neutron reflectivity measurement, respectively. The dependence of the z-average mean square radius of gyration (z1/2) on the weight-average molecular weight (Mw) of free poly(3-(N-2-methacryloyloxyethyl-N,N-dimethyl)ammonatopropanesulfo-nate) (MAPS) in aqueous solution at salt concentrations of 74, 100, 200, and 500 mM was described by the perturbed wormlike chain model using the chain stiffness parameter λ-1 the molar mass per unit contour length ML, and the excluded volume effect B. B increased from 0 to 1.8 nm with increasing salt concentration to 500 mM due to the screening of attractive electrostatic interaction between ammonium cations and sulfonyl anions by salt ions. The swollen structure of the poly(MAPS) brush in D2O changed from a shrunken state to a relatively extended state with increasing salt concentration from 0 to 500 mM NaCl/D2O solution. The thickness of the swollen poly(MAPS) brush in 500 mM NaCl/D2O was 9.0 times greater than 2z1/2 of free poly(MAPS) due to high osmotic pressure generated by the excluded volume effect of densely grafted polymer chains.

  14. Elderly care: similarities and solutions in Denmark and the United States.

    PubMed

    Raffel, N K; Raffel, M W

    1987-01-01

    Denmark, like the United States and other developed countries, is experiencing an increase in the percentage of dependent elderly in its population. They consume a disproportionate share of health and social services at a time when government is attempting to contain costs. Both countries face similar problems in caring for the elderly--problems of escalating hospital costs, dramatically increased nursing home costs, and insufficient public revenues to cover their entire care. Denmark has developed a wide range of services for the elderly--home help, home nursing, adult day care centers, day nursing homes, and sheltered housing. The response in the United States has taken somewhat different directions, although in both countries home and community services have been expanded as a substitute for expensive institutional care. The possible relevance of the U.S. experience in these areas to Denmark and lessons that the United States might learn from the Scandinavian country are discussed.

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

    PubMed Central

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

    2009-01-01

    Summary Atomic level structural information on αB-Crystallin (αB), a prominent member of the small Heat Shock Protein (sHSP) 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 ∼ 580 kDa human αB assembled from 175-residue, 20 kDa subunits. An ∼100-residue α-crystallin domain is common to all sHSPs 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 the 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- 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- and solution-state indicating a similar structure for the domain in its isolated and oligomeric forms. Sites of inter-subunit 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- and solution-state chemical shift data and (ii) 1H-15N HSQC spectra as a function of pH. The isolated α-crystallin domain undergoes a dimer-monomer transition over the pH range of 7.5 to 6.8. This steep pH-dependent switch may be important for αB to function optimally, e.g., to preserve the filament integrity of cardiac muscle proteins such as actin and desmin during cardiac ischemia which

  16. Supersymmetric factorization yields exact solutions to the molecular Stark-effect problem for stretched states

    SciTech Connect

    Lemeshko, Mikhail; Mustafa, Mustafa; Kais, Sabre; Friedrich, Bretislav

    2011-04-15

    By invoking supersymmetry, we found a condition under which the Stark-effect problem for a polar and polarizable molecule subject to nonresonant electric fields becomes exactly solvable for the |J-tilde=m,m> family of stretched states. The analytic expressions for the wave function and eigenenergy and other expectation values allow one to readily reverse-engineer the problem of finding the values of the interaction parameters required for creating quantum states with preordained characteristics. The method also allows the construction of families of isospectral potentials, realizable with combined fields.

  17. Recursive solution of number of reachable states of a simple subclass of FMS

    NASA Astrophysics Data System (ADS)

    Chao, Daniel Yuh

    2014-03-01

    This paper aims to compute the number of reachable (forbidden, live and deadlock) states for flexible manufacturing systems (FMS) without the construction of reachability graph. The problem is nontrivial and takes, in general, an exponential amount of time to solve. Hence, this paper focusses on a simple version of Systems of Simple Sequential Processes with Resources (S3PR), called kth-order system, where each resource place holds one token to be shared between two processes. The exact number of reachable (forbidden, live and deadlock) states can be computed recursively.

  18. Numerical solution of steady-state buoyancy-driven flow of an incompressible fluid with temperature dependent viscosity

    SciTech Connect

    Abrous, A.; Emery, A.F.

    1995-12-31

    The steady-state, buoyancy-driven flow of an incompressible fluid with temperature dependent viscosity within a square enclosure is solved numerically and the results are presented. The benchmark problem`s geometrical and mathematical descriptions adopted herein are those specified by the AdHoc Committee of Computational Heat Transfer which is compiling different solutions for this benchmark problem in heat transfer analysis. The objective is to compare solutions computed with several different algorithmic approaches for a problem having a large variation in fluid viscosity, characteristic of modeling turbulent flows with eddy diffusivity concepts. The results of the present analysis are submitted as a contribution to this comparison exercise that has for objective the assessment of the numerical accuracy of modeling the diffusion terms in the conservation equations with variable property.

  19. Structural-energy states of water and aqueous solutions under external influences

    NASA Astrophysics Data System (ADS)

    Gorlenko, Nikolay; Laptev, Boris; Sidorenko, Galina; Sarkisov, Yuri; Minakova, Tamara; Kylchenko, Anton; Zubkova, Olga

    2016-01-01

    Methods are proposed for evaluating changes in the structure of water or aqueous electrolyte solutions under the influence of temperature, magnetic field and surface material by means of determining the electrical capacity of the liquid and the quality factor of the anti-resonant circuit in the frequency range from 1 kHz to 3000 kHz. The condenser plates in different types of electrochemical cells are placed one in front of the other, each at a distance of more than 5 cm, or relative to each other in parallel planes, or in one plane in which case the liquid is located on the condenser plates. The current density on the plates in various cells ranged from 10 to 100 nA/cm2. When measuring the electrical capacity, the voltage applied to the plates was reduced in proportion to the increase in the frequency of oscillator. The apparatus allows us to increase the dynamic range of the signal change from an electrochemical cell, reduce the impact of measurements on the structure of liquids, and also evaluate the direction and extent of changes in the structure of water and aqueous solutions under various external influences. Criteria are proposed for evaluating the structure of fluids.

  20. Stationary axisymmetric and slowly rotating spacetimes in Hořava-Lifshitz gravity.

    PubMed

    Wang, Anzhong

    2013-03-01

    Stationary, axisymmetric, and slowly rotating vacuum spacetimes in the Hořava-Lifshitz (HL) gravity are studied, and it is shown that, for any given spherical static vacuum solution of the HL theory (of any model, including the ones with an additional U(1) symmetry), there always exists a corresponding slowly rotating, stationary, and axisymmetric vacuum solution, which reduces to the former, when the rotation is switched off. The rotation is universal and only implicitly depends on the models of the HL theory and their coupling constants through the spherical seed solution. As a result, all asymptotically flat slowly rotating vacuum solutions are asymptotically identical to the slowly rotating Kerr solution. This is in contrast to the claim of Barausse and Sotiriou [Phys. Rev. Lett. 109, 181101 (2012)], in which slowly rotating black holes were reported (incorrectly) not to exist in the infrared limit of the nonprojectable HL theory.

  1. Excited-state dynamics of protonated retinal Schiff base in solution

    SciTech Connect

    Logunov, S.L.; Li, S.; El-Sayed, M.A.

    1996-11-21

    The dynamics of all-trans and 13-cis retinal protonated Schiff base (RPSB) were studied in different solvents by means of picosecond transient spectroscopy. The decay time of the excited state absorption was found to be wavelength dependent due to the contribution of the faster decay of stimulated emission. The stimulated emission has a lifetime of a 2.5-4 ps while the excited state absorption decay is biexponential with lifetimes of 2.5-4 and 10-12 ps. The fluorescence quantum yield is strongly temperature dependent but viscosity has a small effect on both excited-state lifetime and fluorescence quantum yield. This leads to the conclusion that there is a {approx}600 cm{sup -1} barrier in the excited-state which results from intramolecular electronic factors and not from the solvent viscosity. The comparison of these results with those for the retinal in rhodopsin and bacteriorhodopsin is discussed in terms of the protein catalysis for the retinal photoisomerization. 31 refs., 8 figs., 2 tabs.

  2. Indiana State University Professional Development School Partnership: Systemic, Symbiotic, and Solution-Oriented

    ERIC Educational Resources Information Center

    Libler, Rebecca

    2010-01-01

    The Indiana State University Professional Development Schools (ISU PDS) Partnership sprang from the convergence of two strong needs: (1) the need for real life practice in the way of extended clinical experiences for teacher education students in schools of practice; and (2) the need on the part of the schools in the community to have access to…

  3. Functional Coherence in the State Education Agency: A Structure for Performance Management. Solutions. Issue No. 4

    ERIC Educational Resources Information Center

    Redding, Sam; Nafziger, Dean

    2013-01-01

    The purpose of the state education agency (SEA) is to focus the entire education system on helping students become capable in college and career in an increasingly complex world. One of the most vexing problems facing SEAs today is how to meet increasing demands for performance while adjusting to significant resource reductions. Meeting that…

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

    Technology Transfer Automated Retrieval System (TEKTRAN)

    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 mod...

  5. Charters as a Solution?: So Far, States and Districts Have Opted for Anything But

    ERIC Educational Resources Information Center

    Smith, Nelson

    2007-01-01

    "Reopening the school as a public charter school" is Option #1 on the list of NCLB's restructuring alternatives for failing schools. But this has not proved a popular choice. NCLB made the bold assumption that states and districts would voluntarily turn over the reins to charter operators. The authors of the legislation must have thought, with so…

  6. Solutions to locoweed poisoning in New Mexico and the Western United States

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A collaborative locoweed research effort between New Mexico State University and the USDA/ARS Poison Plant Lab was initiated in 1990 as a result of a “grass root” producer effort and a congressional appropriation, thanks to the efforts of NM Congressman Joe Skeen. A symposium was held at the SRM an...

  7. States' Perspectives on Waivers: Relief from NCLB, Concern about Long-Term Solutions

    ERIC Educational Resources Information Center

    McMurrer, Jennifer; Yoshioka, Nanami

    2013-01-01

    On February 9, 2012, U.S. Secretary of Education Arne Duncan granted 10 states waivers of key accountability requirements of the Elementary and Secondary Education Act (ESEA), as amended by the No Child Left Behind (NCLB) Act. One year later, applications for this ESEA flexibility, also known as NCLB waivers, had been approved for an additional 24…

  8. Singularity-free solutions for anisotropic charged fluids with Chaplygin equation of state

    NASA Astrophysics Data System (ADS)

    Rahaman, Farook; Ray, Saibal; Jafry, Abdul Kayum; Chakraborty, Kausik

    2010-11-01

    We extend the Krori-Barua analysis of the static, spherically symmetric, Einstein-Maxwell field equations and consider charged fluid sources with anisotropic stresses. The inclusion of a new variable (tangential pressure) allows the use of a nonlinear, Chaplygin-type equation of state with coefficients fixed by the matching conditions at the boundary of the source. Some physical features are briefly discussed.

  9. Evolutionary cheating in Escherichia coli stationary phase cultures.

    PubMed Central

    Vulic, M; Kolter, R

    2001-01-01

    Starved cultures of Escherichia coli are highly dynamic, undergoing frequent population shifts. The shifts result from the spread of mutants able to grow under conditions that impose growth arrest on the ancestral population. To analyze competitive interactions underlying this dynamic we measured the survival of a typical mutant and the wild type during such population shifts. Here we show that the survival advantage of the mutant at any given time during a takeover is inversely dependent on its frequency in the population, its growth adversely affects the survival of the wild type, and its ability to survive in stationary phase at fixation is lower than that of its ancestor. These mutants do not enter, or exit early, the nondividing stationary-phase state, cooperatively maintained by the wild type. Thus they end up overrepresented as compared to their initial frequency at the onset of the stationary phase, and subsequently they increase disproportionately their contribution in terms of progeny to the succeeding generation in the next growth cycle, which is a case of evolutionary cheating. If analyzed through the game theory framework, these results might be explained by the prisoner's dilemma type of conflict, which predicts that selfish defection is favored over cooperation. PMID:11404318

  10. Erosional Control of Orogenesis: Approximate Analytical Solution for a Two-Sided, Frictional Orogenic Wedge at Steady State

    NASA Astrophysics Data System (ADS)

    Whipple, K.; Meade, B.

    2002-12-01

    The recognition of a dynamic coupling among climate, erosion and tectonics is arguably one of the most exciting discoveries in the last 20 years. Numerical simulations using coupled thermo-mechanical and surface process models have been most influential. However, analyses to date leave the strength of the coupling between climate and tectonics uncertain. Can an intensification of erosion induce a sufficiently strong increase in rock uplift rate that steady-state relief is increased rather than reduced? In addition, it has remained unclear whether the details of the erosion processes are important to the geodynamic evolution of the orogen, and if so, how they come into play. We present an approximate analytical solution for two-sided orogenic wedges obeying a frictional rheology, and in a condition of flux steady state, that makes explicit the nature and sensitivity of the coupling between climate and rock uplift rate. A closed-form solution for the inter-relations among steady-state orogen width, rock uplift rate, patterns of internal deformation, and climate is found by combining (1) a statement of mass balance, (2) the geometry dictated by critical taper theory for a frictional wedge, (3) relations for equilibrium topography consistent with both the tapered wedge geometry and with erosion rates necessary to satisfy the mass balance condition, and (4) a kinematic solution for internal deformation. An approximate relation for the timescale of adjustment to a new steady state following a step-function change in climatic or tectonic conditions is also found. We make the simplifying assumption that the topographic taper is invariant with orogen width, tectonic influx rate, climate, and time. Erosion rates are assumed to be dictated by the bedrock channel network and are described by the stream-power model of bedrock channel incision. Erosional efficiency (and its spatial distribution) is shown to control steady-state orogen width, crest elevation, crustal thickness

  11. Resonance Raman characterization of different forms of ground-state 8-bromo-7-hydroxyquinoline caged acetate in aqueous solutions.

    PubMed

    An, Hui-Ying; Ma, Chensheng; Nganga, Jameil L; Zhu, Yue; Dore, Timothy M; Phillips, David Lee

    2009-03-26

    The 8-bromo-7-hydroxyquinolinyl group (BHQ) is a derivative of 7-hydroxyquinoline (7-HQ) and BHQ molecules coexisting as different forms in aqueous solution. Absorption and resonance Raman spectroscopic methods were used to examine 8-bromo-7-hydroxyquinoline protected acetate (BHQ-OAc) in acetonitrile (MeCN), H(2)O/MeCN (60:40, v/v, pH 6 approximately 7), and NaOH-H(2)O/MeCN (60:40, v/v, pH 11 approximately 12) to obtain a better characterization of the forms of the ground-state species of BHQ-OAc in aqueous solutions and to examine their properties. The absorption spectra of BHQ-OAc in water show no absorption bands of the tautomeric species unlike the strong band at about 400 nm observed for the tautomeric form in 7-HQ aqueous solution. The resonance Raman spectra in conjunction with Raman spectra predicted from density functional theory (DFT) calculations reveal the observation of a double Raman band system characteristic of the neutral form (the nominal C=C ring stretching, C-N stretching, and O-H bending modes at 1564 and 1607 cm(-1)) and a single Raman band diagnostic of the enol-deprotonated anionic form (the nominal C=C ring, C-N, and C-O(-) stretching modes in the 1593 cm(-1) region). These results suggest that the neutral form of BHQ-OAc is the major species in neutral aqueous solution. There is a modest increase in the amount of the anionic form and a big decrease in the amount of the tautomeric form of the molecules for BHQ-OAc compared to 7-HQ in neutral aqueous solution. The presence of the 8-bromo group and/or competitive hydrogen bonding that hinder the formation and transfer process of a BHQ-OAc-water cyclic complex may be responsible for this large substituent effect. PMID:19296708

  12. Solid-State and Solution Structures of Glycinimine-Derived Lithium Enolates.

    PubMed

    Jin, Kyoung Joo; Collum, David B

    2015-11-18

    A combination of crystallographic, spectroscopic, and computational studies was applied to study the structures of lithium enolates derived from glycinimines of benzophenone and (+)-camphor. The solvents examined included toluene and toluene containing various concentrations of tetrahydrofuran, N,N,N',N'-tetramethylethylenediamine (TMEDA), (R,R)-N,N,N',N'-tetramethylcyclohexanediamine [(R,R)-TMCDA], and (S,S)-N,N,N',N'-tetramethylcyclohexanediamine [(S,S)-TMCDA]. Crystal structures show chelated monomers, symmetric disolvated dimers, S4-symmetric tetramers, and both S6- and D3d-symmetric hexamers. (6)Li NMR spectroscopic studies in conjunction with the method of continuous variations show how these species distribute in solution. Density functional theory computations offer insights into experimentally elusive details. PMID:26554898

  13. Calculated equilibria between adjacent valence states of plutonium in simple aqueous solutions

    SciTech Connect

    Sweeton, F.H.

    1981-02-01

    Equilibrium data have been taken from the literature for the oxidation of Pu/sup 3 +/ to Pu/sup 4 +/, Pu/sup 4 +/ to PuO/sub 2//sup +/ and PuO/sub 2//sup +/ to PuO/sub 2//sup 2 +/, and for the hydrolysis of these four plutonium species in dilute solutions. These data have been used to calculate the oxidation-reduction potentials (expressed as E/sub h/) at which the concentrations of the two species (including the hydrolyzed forms) in each pair are equal. These calculations cover the pH range of 0 to 13. The results indicate that there are conditions under which each species can be predominant. The solubility of PuO/sub 2/ under environmental conditions is also discussed.

  14. Shock Hugoniot and equations of states of water, castor oil, and aqueous solutions of sodium chloride, sucrose and gelatin

    NASA Astrophysics Data System (ADS)

    Gojani, A. B.; Ohtani, K.; Takayama, K.; Hosseini, S. H. R.

    2016-01-01

    This paper reports a result of experiments for the determination of reliable shock Hugoniot curves of liquids, in particular, at relatively low pressure region, which are needed to perform precise numerical simulations of shock wave/tissue interaction prior to the development of shock wave related therapeutic devices. Underwater shock waves were generated by explosions of laser ignited 10 mg silver azide pellets, which were temporally and spatially well controlled. Measuring temporal variation of shock velocities and over-pressures in caster oil, aqueous solutions of sodium chloride, sucrose and gelatin with various concentrations, we succeeded to determine shock Hugoniot curves of these liquids and hence parameters describing Tait type equations of state.

  15. Fragment-based configuration interaction wave function to calculate environmental effect on excited states in proteins and solutions

    NASA Astrophysics Data System (ADS)

    Hasegawa, Jun-ya

    2013-05-01

    Solvatochromic effect in proteins and solutions was described by a configuration interaction singles (CIS) wave function with fragment-localized molecular orbitals. Coarse-grained analysis indicated that the CI wave function can be described by local excitations and charge-transfer (CT) excitations between the chromophore and the environment. We developed an atomic-orbital direct runcated CIS code and applied the excited states of retinal chromophore in bacteriorhodopsin and MeOH environments, and those of s-trans-acrolein in water. Number of excitation operators was significantly reduced by eliminating the CT excitations between the environmental fragments. The truncated CIS wave functions reproduced the original excitation energies very well.

  16. X-ray line shapes of metals: Exact solutions of a final-state interaction model

    NASA Astrophysics Data System (ADS)

    Swarts, Coenraad A.; Dow, John D.

    2005-10-01

    By means of model calculations for an independent-electron metal, we obtain exact line shapes for the photon absorption, emission, and photoemission spectra of core states, including electronic relaxation. In all cases we find an x-ray edge anomaly. For the absorption and emission spectra this anomaly is superposed on a continuum resembling Elliott exciton theory. We display how the spectra evolve from the exciton limit to the free-electron limit as the final-state interaction strength is decreased or the Fermi energy increased. We compare the spectra obtained for different final-state interactions and find that different types of interactions produce different spectral shapes. Away from threshold the absorption and emission profiles show an enhancement of the free-electron result, as predicted by the screened-exciton theory. Our results offer potential explanations for (i) incompatibilities between threshold exponents and exponents extracted from other data, (ii) the occurrence of nearly symmetric x-ray photoemission lines, and (iii) the lack of mirror symmetry of absorption and emission edges.

  17. Gutzwiller wave-function solution for Anderson lattice model: Emerging universal regimes of heavy quasiparticle states

    NASA Astrophysics Data System (ADS)

    Wysokiński, Marcin M.; Kaczmarczyk, Jan; Spałek, Jozef

    2015-09-01

    The recently proposed diagrammatic expansion (DE) technique for the full Gutzwiller wave function (GWF) is applied to the Anderson lattice model. This approach allows for a systematic evaluation of the expectation values with full Gutzwiller wave function in finite-dimensional systems. It introduces results extending in an essential manner those obtained by means of the standard Gutzwiller approximation (GA), which is variationally exact only in infinite dimensions. Within the DE-GWF approach we discuss the principal paramagnetic properties and their relevance to heavy-fermion systems. We demonstrate the formation of an effective, narrow f band originating from atomic f -electron states and subsequently interpret this behavior as a direct itineracy of f electrons; it represents a combined effect of both the hybridization and the correlations induced by the Coulomb repulsive interaction. Such a feature is absent on the level of GA, which is equivalent to the zeroth order of our expansion. Formation of the hybridization- and electron-concentration-dependent narrow f band rationalizes the common assumption of such dispersion of f levels in the phenomenological modeling of the band structure of CeCoIn5. Moreover, it is shown that the emerging f -electron direct itineracy leads in a natural manner to three physically distinct regimes within a single model that are frequently discussed for 4 f - or 5 f -electron compounds as separate model situations. We identify these regimes as (i) the mixed-valence regime, (ii) Kondo/almost-Kondo insulating regime, and (iii) the Kondo-lattice limit when the f -electron occupancy is very close to the f -state half filling, →1 . The nonstandard features of the emerging correlated quantum liquid state are stressed.

  18. Critical state solution and alternating current loss computation of polygonally arranged thin superconducting tapes

    NASA Astrophysics Data System (ADS)

    Brambilla, Roberto; Grilli, Francesco; Martini, Luciano

    2013-08-01

    The current density and field distributions in polygonally arranged thin superconducting tapes carrying AC current are derived under the assumption of the critical state model. Starting from the generic Biot-Savart law for a general polygonal geometry, we derive a suitable integral equation for the calculation of the current density and magnetic field in each tape. The model works for any transport current below Ic, which makes it attractive for studying cases of practical interest, particularly the dependence of AC losses on parameters such as the number of tapes, their distance from the center, and their separation.

  19. Thermodynamic Equations of State for Aqueous Solutions Applied to Deep Icy Satellite and Exoplanet Oceans

    NASA Astrophysics Data System (ADS)

    Vance, S.; Brown, J. M.; Bollengier, O.; Journaux, B.; Sotin, C.; Choukroun, M.; Barnes, R.

    2014-12-01

    Supporting life in icy world or exoplanet oceans may require global seafloor chemical reactions between water and rock. Such interactions have been regarded as limited in larger icy worlds such as Ganymede and Titan, where ocean depths approach 800 km and GPa pressures (>10katm). If the oceans are composed of pure water, such conditions are consistent with the presence of dense ice phases V and VI that cover the rocky seafloor. Exoplanets with oceans can obtain pressures sufficient to generate ices VII and VIII. We have previously demonstrated temperature gradients in such oceans on the order of 20 K or more, resulting from fluid compressibility in a deep adiabatic ocean based on our experimental work. Accounting for increases in density for highly saline oceans leads to the possibility of oceans perched under and between high pressure ices. Ammonia has the opposite effect, instead decreasing ocean density, as reported by others and confirmed by our laboratory measurements in the ammonia water system. Here we report on the completed equation of state for aqueous ammonia derived from our prior measurements and optimized global b-spline fitting methods We use recent diamond anvil cell measurements for water and ammonia to extend the equation of state to 400°C and beyond 2 GPa, temperatures and pressures applicable to icy worlds and exoplanets. Densities show much less temperature dependence but comparabe high-pressure derivatives to previously published ammonia-water properties derived for application to Titan (Croft et al. 1988). Thermal expansion is in better agreement with the more self-consistent equation of state of Tillner-Roth and Friend (1998). We also describe development of a planetary NaCl equation of state using recent measurements of phase boundaries and sound speeds. We examine implications of realistic ocean-ice thermodynamics for Titan and exoplanet interiors using the methodology recently applied to Ganymede for oceans dominated by MgSO4. High

  20. Frozen-state storage stability of a monoclonal antibody: aggregation is impacted by freezing rate and solute distribution.

    PubMed

    Miller, Maria A; Rodrigues, Miguel A; Glass, Matthew A; Singh, Satish K; Johnston, Keith P; Maynard, Jennifer A

    2013-04-01

    Freezing of protein solutions perturbs protein conformation, potentially leading to aggregate formation during long-term storage in the frozen state. Macroscopic protein concentration profiles in small cylindrical vessels were determined for a monoclonal antibody frozen in a trehalose-based formulation for various freezing protocols. Slow cooling rates led to concentration differences between outer edges of the tank and the center, up to twice the initial concentration. Fast cooling rates resulted in much smaller differences in protein distribution, likely due to the formation of dendritic ice, which traps solutes in micropockets, limiting their transport by convection and diffusion. Analysis of protein stability after more than 6 months storage at either -10°C or -20°C [above glass transition temperature (T'g )] or -80°C (below T'g ) revealed that aggregation correlated with the cooling rate. Slow-cooled vessels stored above T'g exhibited increased aggregation with time. In contrast, fast-cooled vessels and those stored below T'g showed small to no increase in aggregation at any position. Rapid entrapment of protein in a solute matrix by fast freezing results in improved stability even when stored above T'g . © 2013 Wiley Periodicals, Inc. and the American Pharmacists Association J Pharm Sci 102:1194-1208, 2013.

  1. Aqueous solutions: state of the art in ab initio molecular dynamics.

    PubMed

    Hassanali, Ali A; Cuny, Jérôme; Verdolino, Vincenzo; Parrinello, Michele

    2014-03-13

    The simulation of liquids by ab initio molecular dynamics (AIMD) has been a subject of intense activity over the last two decades. The significant increase in computational resources as well as the development of new and efficient algorithms has elevated this method to the status of a standard quantum mechanical tool that is used by both experimentalists and theoreticians. As AIMD computes the electronic structure from first principles, it is free of ad hoc parametrizations and has thus been applied to a large variety of physical and chemical problems. In particular, AIMD has provided microscopic insight into the structural and dynamical properties of aqueous solutions which are often challenging to probe experimentally. In this review, after a brief theoretical description of the Born-Oppenheimer and Car-Parrinello molecular dynamics formalisms, we show how AIMD has enhanced our understanding of the properties of liquid water and its constituent ions: the proton and the hydroxide ion. Thereafter, a broad overview of the application of AIMD to other aqueous systems, such as solvated organic molecules and inorganic ions, is presented. We also briefly describe the latest theoretical developments made in AIMD, such as methods for enhanced sampling and the inclusion of nuclear quantum effects. PMID:24516179

  2. Structure of steady state accretion shocks with several cooling functions: Closed integral-form solution

    NASA Technical Reports Server (NTRS)

    Wu, Kinwah; Chanmugam, G.; Shaviv, G.

    1994-01-01

    We present, for the first time, a closed integral-form solution to the accretion shock structures for the case where the cooling is due to optically thin bremsstrahlung emission and a series of power-law cooling functions of density and temperature. Our results can provide useful checks on numerical calculations and simple accurate estimates for valuable parameters such as the shock height. For the case where the cooling rate j = (2/3)Arho(exp 2)(P/rho)(exp 1/2)(1 + epsilon (sub s)(P/P(sub s)(exp alpha)(rho(sub s)/rho)(exp beta)), we find that a substantial amount of the accretion energy is released at the base of the accretion shock in the form of bremsstrahlung radiation. This implies that for a cyclotron-dominated shock (qualitatively given by alpha = 2.0, beta = 3.85, and epsilon(sub s) is much greater than 1), bremsstrahlung cooling still plays a crucial role in determining the shock structure. Our results are shown to be consistent with detailed numerical calculations.

  3. The application of the nonsmooth critical point theory to the stationary electrorheological fluids

    NASA Astrophysics Data System (ADS)

    Qian, Chenyin

    2016-06-01

    In this paper, we prove the existence of variational solutions to systems modeling electrorheological fluids in the stationary case. Our method of proof is based on the nonsmooth critical point theory for locally Lipschitz functional and the properties of the generalized Lebesgue-Sobolev space.

  4. Inclusion of Paracetamol into β-cyclodextrin nanocavities in solution and in the solid state

    NASA Astrophysics Data System (ADS)

    El-Kemary, Maged; Sobhy, Saffaa; El-Daly, Samy; Abdel-Shafi, Ayman

    2011-09-01

    We report on steady-state UV-visible absorption and emission characteristics of Paracetamol, drug used as antipyretic agent, in water and within cyclodextrins (CDs): β-CD, 2-hydroxypropyl- β-CD (HP- β-CD) and 2,6-dimethyl- β-CD (Me- β-CD). The results reveal that Paracetamol forms a 1:1 inclusion complex with CD. Upon encapsulation, the emission intensity enhances, indicating a confinement effect of the nanocages on the photophysical behavior of the drug. Due to its methyl groups, the Me- β-CD shows the largest effect for the drug. The observed binding constant showing the following trend: Me- β-CD > HP- β-CD > β-CD. The less complexing effectiveness of HP- β-CD is due to the steric effect of the hydroxypropyl-substituents, which can hamper the inclusion of the guest molecules. The solid state inclusion complex was prepared by co-precipitation method and its characterization was investigated by Fourier transform infrared spectroscopy, 1H NMR and X-ray diffractometry. These approaches indicated that Paracetamol was able to form an inclusion complex with CDs, and the inclusion compounds exhibited different spectroscopic features and properties from Paracetamol.

  5. Self-Consistent Solutions for the Scattering State with Two Free Electrons

    NASA Astrophysics Data System (ADS)

    Hahn, Y. K.; Gau, J. N.; Zerrad, E.

    2013-11-01

    Wave functions for the scattering states with two free electrons in the field of an ion core are explicitly calculated by the self-consistent, continuum Hartree-Fock (CHF) theory. Typically, such states are associated with the three-body recombination, collisional ionization and photo-double ionization, but have never been directly studied previously. The calculated continuum orbitals are found to be predominantly of the plane-wave forms, as though the system is translation invariant, in the context of many-body HF theory. The symmetry is mildly broken by the presence of the core ion, at about fifteen-percents level, indicating that the orbitals are largely delocalized and the effect of the core potential is an important but minor perturbation. The properties of channel orthogonality and completeness are preserved by the nearly plane wave forms. To test the validity of this finding and the CHF, the continuum orbitals are used to evaluate the amplitudes for the electron impact ionization, and the amputation procedure, that is crucial in the theory, is also critically re-examined.

  6. Self-assembly of PEGylated tetra-phenylalanine derivatives: structural insights from solution and solid state studies

    PubMed Central

    Diaferia, Carlo; Mercurio, Flavia Anna; Giannini, Cinzia; Sibillano, Teresa; Morelli, Giancarlo; Leone, Marilisa; Accardo, Antonella

    2016-01-01

    Water soluble fibers of PEGylated tetra-phenylalanine (F4), chemically modified at the N-terminus with the DOTA chelating agent, have been proposed as innovative contrast agent (CA) in Magnetic Resonance Imaging (MRI) upon complexation of the gadolinium ion. An in-depth structural characterization of PEGylated F4-fibers, in presence (DOTA-L6-F4) and in absence of DOTA (L6-F4), is reported in solution and at the solid state, by a multiplicity of techniques including CD, FTIR, NMR, DLS, WAXS and SAXS. This study aims to better understand how the aggregation process influences the performance of nanostructures as MRI CAs. Critical aggregation concentrations for L6-F4 (43 μM) and DOTA-L6-F4 (75 μM) indicate that self-aggregation process occurs in the same concentration range, independently of the presence of the CA. The driving force for the aggregation is the π-stacking between the side chains of the aromatic framework. CD, FTIR and WAXS measurements indicate an antiparallel β-sheet organization of the monomers in the resulting fibers. Moreover, WAXS and FTIR experiments point out that in solution the nanomaterials retain the same morphology and monomer organizations of the solid state, although the addition of the DOTA chelating agent affects the size and the degree of order of the fibers. PMID:27220817

  7. The state of association of band 3 protein of the human erythrocyte membrane in solutions of nonionic detergents.

    PubMed

    Pappert, G; Schubert, D

    1983-04-21

    Band 3 protein, the anion transport protein of the human erythrocyte membrane, was solubilized and purified in aqueous solutions of two nonionic detergents: Ammonyx-LO (dimethyl laurylamine oxide) and C12E9 (nonaethylene glycol lauryl ether). The state of association of the purified protein was studied by analytical ultracentrifugation. Band 3 protein solubilized and studied in solutions of Ammonyx-LO was found to be in a monomer/dimer/tetramer association equilibrium. Band 3 protein freshly prepared in C12 E9 showed the same behaviour; however, during aging the protein was converted into stable noncovalent dimers. The conversion was retarded by the presence of beta-mercaptoethanol or by treatment of the samples with iodoacetamide; it seems to be due to oxidation of the protein by degradation products of the detergent. It is concluded that a monomer/dimer/tetramer association equilibrium is the native state of association of band 3 protein solubilized by nonionic detergents. Since nonionic detergents are assumed not to interfere with protein-protein interactions among membrane proteins, the results strongly support the claim that, in the erythrocyte membrane, band 3 is in a monomer/dimer/tetramer association equilibrium (Dorst, H.-J. and Schubert, D. (1979) Hoppe-Seyler's Z. Physiol. Chem. 360, 1605-1618).

  8. Effects of a Degeneracy in the Competition Model. Part I. Classical and Generalized Steady-State Solutions

    NASA Astrophysics Data System (ADS)

    Du, Yihong

    2002-05-01

    We study the competition model where the coefficient functions are strictly positive over the underlying spatial region Ω except b(x), which vanishes in a nontrivial subdomain of Ω, and is positive in the rest of Ω. We show that there exists a critical number λ* such that if λ <λ*, then the model behaves similarly to the well-studied classical competition model where all the coefficient functions are positive constants, but when λ>λ*, new phenomena occur. Our results demonstrate the fact that heterogeneous environmental effects on population models are not only quantitative, but can be qualitative as well. In part I here, we mainly study two kinds of steady-state solutions which determine the dynamics of the model: one consists of finite functions while the other consists of generalized functions which satisfy (u, v)=(∞, 0) on the part of the domain that b(x) vanishes, but are positive and finite on the rest of the domain, and are determined by certain boundary blow-up systems. The research is continued in part II, where these two kinds of steady-state solutions will be used to determine the dynamics of the model.

  9. Excited state intramolecular proton transfer and charge transfer dynamics of a 2-(2'-hydroxyphenyl)benzoxazole derivative in solution.

    PubMed

    Kim, Chul Hoon; Park, Jaehun; Seo, Jangwon; Park, Soo Young; Joo, Taiha

    2010-05-13

    Excited state intramolecular proton transfer (ESIPT) and subsequent intramolecular charge transfer (ICT) dynamics of a 2-(2'-hydroxyphenyl)benzoxazole derivative conjugated with an electron withdrawing group (HBOCE) in solutions and a polymer film has been investigated by femtosecond time-resolved fluorescence (TRF) and TRF spectra measurements without the conventional spectral reconstruction method. TRF with high enough resolution (<100 fs) reveals that the ESIPT dynamics of HBOCE in liquids proceeds by at least two time constants of approximately 250 fs and approximately 1.2 ps. The relative amplitude of the slower picosecond component is smaller in the polymer film than that in solution. Conformational heterogeneity in the ground state originating from the dispersion of the dihedral angle between the phenolic and benzoxazole groups is invoked to account for the dispersive ESIPT dynamics in liquids. From the TRF spectra of both the enol and keto isomers, we have identified the ICT reaction of the keto isomer occurring subsequent to the ESIPT. The ICT proceeds also by two time constants of near instantaneous and 2.7 ps. Since the ICT dynamics of HBOCE is rather close to the polar solvation dynamics, we argue that the ICT is barrierless and determined mostly by the solvent fluctuation.

  10. Self-assembly of PEGylated tetra-phenylalanine derivatives: structural insights from solution and solid state studies.

    PubMed

    Diaferia, Carlo; Mercurio, Flavia Anna; Giannini, Cinzia; Sibillano, Teresa; Morelli, Giancarlo; Leone, Marilisa; Accardo, Antonella

    2016-01-01

    Water soluble fibers of PEGylated tetra-phenylalanine (F4), chemically modified at the N-terminus with the DOTA chelating agent, have been proposed as innovative contrast agent (CA) in Magnetic Resonance Imaging (MRI) upon complexation of the gadolinium ion. An in-depth structural characterization of PEGylated F4-fibers, in presence (DOTA-L6-F4) and in absence of DOTA (L6-F4), is reported in solution and at the solid state, by a multiplicity of techniques including CD, FTIR, NMR, DLS, WAXS and SAXS. This study aims to better understand how the aggregation process influences the performance of nanostructures as MRI CAs. Critical aggregation concentrations for L6-F4 (43 μM) and DOTA-L6-F4 (75 μM) indicate that self-aggregation process occurs in the same concentration range, independently of the presence of the CA. The driving force for the aggregation is the π-stacking between the side chains of the aromatic framework. CD, FTIR and WAXS measurements indicate an antiparallel β-sheet organization of the monomers in the resulting fibers. Moreover, WAXS and FTIR experiments point out that in solution the nanomaterials retain the same morphology and monomer organizations of the solid state, although the addition of the DOTA chelating agent affects the size and the degree of order of the fibers. PMID:27220817

  11. Helical vesicles, segmented semivesicles, and noncircular bilayer sheets from solution-state self-assembly of ABC miktoarm star terpolymers.

    PubMed

    Kong, Weixin; Li, Baohui; Jin, Qinghua; Ding, Datong; Shi, An-Chang

    2009-06-24

    Multicompartment micelles, especially nanostructured vesicles, offer tremendous potential as delivery vehicles of therapeutic agents and nanoreactors. Solution-state self-assembly of miktoarm star terpolymers provides a versatile and powerful route to obtain multicompartment micelles. Here we report simulations of solution-state self-assembly of ABC star terpolymers composed of a solvophilic A arm and two solvophobic B and C arms. A variety of multicompartment micelles are predicted from the simulations. Phase diagrams for typical star terpolymers are constructed. It is discovered that the overall micelle morphology is largely controlled by the volume fraction of the solvophilic A arms, whereas the internal compartmented and/or segregated structures depend on the ratio between the volume fractions of the two solvophobic arms. The polymer-solvent and polymer-polymer interactions can be used to tune the effective volume fraction of the A-arm and, thereby, induce morphological transitions. For terpolymers with equal or nearly equal length of B and C arms, several previously unknown structures, including vesicles with novel lateral structures (helices or stacked donuts), segmented semivesicles, and elliptic or triangular bilayer sheets, are discovered. When the lengths of B and C arms are not equal, novel micelles such as multicompartment disks and onions are observed. PMID:19476352

  12. Ground and excited state properties of high performance anthocyanidin dyes-sensitized solar cells in the basic solutions

    SciTech Connect

    Prima, Eka Cahya; Yuliarto, Brian; Suyatman; Dipojono, Hermawan Kresno

    2015-09-30

    The aglycones of anthocyanidin dyes were previously reported to form carbinol pseudobase, cis-chalcone, and trans-chalcone due to the basic levels. The further investigations of ground and excited state properties of the dyes were characterized using density functional theory with PCM(UFF)/B3LYP/6-31+G(d,p) level in the basic solutions. However, to the best of our knowledge, the theoretical investigation of their potential photosensitizers has never been reported before. In this paper, the theoretical photovoltaic properties sensitized by dyes have been successfully investigated including the electron injections, the ground and excited state oxidation potentials, the estimated open circuit voltages, and the light harvesting efficiencies. The results prove that the electronic properties represented by dyes’ LUMO-HOMO levels will affect to the photovoltaic performances. Cis-chalcone dye is the best anthocyanidin aglycone dye with the electron injection spontaneity of −1.208 eV, the theoretical open circuit voltage of 1.781 V, and light harvesting efficiency of 56.55% due to the best HOMO-LUMO levels. Moreover, the ethanol solvent slightly contributes to the better cell performance than the water solvent dye because of the better oxidation potential stabilization in the ground state as well as in the excited state. These results are in good agreement with the known experimental report that the aglycones of anthocyanidin dyes in basic solvent are the high potential photosensitizers for dye-sensitized solar cell.

  13. Ground and excited state properties of high performance anthocyanidin dyes-sensitized solar cells in the basic solutions

    NASA Astrophysics Data System (ADS)

    Prima, Eka Cahya; Yuliarto, Brian; Suyatman, Dipojono, Hermawan Kresno

    2015-09-01

    The aglycones of anthocyanidin dyes were previously reported to form carbinol pseudobase, cis-chalcone, and trans-chalcone due to the basic levels. The further investigations of ground and excited state properties of the dyes were characterized using density functional theory with PCM(UFF)/B3LYP/6-31+G(d,p) level in the basic solutions. However, to the best of our knowledge, the theoretical investigation of their potential photosensitizers has never been reported before. In this paper, the theoretical photovoltaic properties sensitized by dyes have been successfully investigated including the electron injections, the ground and excited state oxidation potentials, the estimated open circuit voltages, and the light harvesting efficiencies. The results prove that the electronic properties represented by dyes' LUMO-HOMO levels will affect to the photovoltaic performances. Cis-chalcone dye is the best anthocyanidin aglycone dye with the electron injection spontaneity of -1.208 eV, the theoretical open circuit voltage of 1.781 V, and light harvesting efficiency of 56.55% due to the best HOMO-LUMO levels. Moreover, the ethanol solvent slightly contributes to the better cell performance than the water solvent dye because of the better oxidation potential stabilization in the ground state as well as in the excited state. These results are in good agreement with the known experimental report that the aglycones of anthocyanidin dyes in basic solvent are the high potential photosensitizers for dye-sensitized solar cell.

  14. Multiple protein stationary phases: a review.

    PubMed

    Singh, N S; Habicht, K-L; Dossou, K S S; Shimmo, R; Wainer, I W; Moaddel, R

    2014-10-01

    Cellular membrane affinity chromatography stationary phases have been extensively used to characterize immobilized proteins and provide a direct measurement of multiple binding sites, including orthosteric and allosteric sites. This review will address the utilization of immobilized cellular and tissue fragments to characterize multiple transmembrane proteins co-immobilized onto a stationary phase. This approach will be illustrated by demonstrating that multiple transmembrane proteins were immobilized from cell lines and tissue fragments. In addition, the immobilization of individual compartments/organelles within a cell will be discussed and the changes in the proteins binding/kinetics based on their location. PMID:24780640

  15. X-ray solution scattering of squid heavy meromyosin: strengthening the evidence for an ancient compact off state.

    PubMed

    Gillilan, Richard E; Kumar, V S Senthil; O'Neall-Hennessey, Elizabeth; Cohen, Carolyn; Brown, Jerry H

    2013-01-01

    The overall conformations of regulated myosins or heavy meromyosins from chicken/turkey, scallop, tarantula, limulus, and scorpion sources have been studied by a number of techniques, including electron microscopy, sedimentation, and pulsed electron paramagnetic resonance. These studies have indicated that the binding of regulatory ions changes the conformation of the molecule from a compact shape found in the "off" state of the muscle to extended relationships between the tail and independently mobile heads that predominate in the "on" state. Here we strengthen the argument for the generality of this conformational change by using small angle X-ray scattering on heavy meromyosin from squid. Small angle X-ray scattering allows the protein to be visualized in solution under mild and relatively physiological conditions, and squid differs from the other species studied by at least 500 million years of evolution. Analysis of the data indicates that upon addition of Ca(2+) the radius of gyration increases. Differences in the squid "on" and "off" states are clearly distinguishable as bimodal and unimodal pair distance distribution functions respectively. These observations are consistent with a Ca(2+)-free squid heavy meromyosin that is compact, but which becomes extended when Ca(2+) is bound. Further, the scattering profile derived from the current model of tarantula heavy meromyosin in the "off" state is in excellent agreement with the measured "off" state scattering profile for squid heavy meromyosin. The previous and current studies together provide significant evidence that regulated myosin's compact off-state conformation is an ancient trait, inherited from a common ancestor during divergent evolution.

  16. X-ray solution scattering of squid heavy meromyosin: strengthening the evidence for an ancient compact off state.

    PubMed

    Gillilan, Richard E; Kumar, V S Senthil; O'Neall-Hennessey, Elizabeth; Cohen, Carolyn; Brown, Jerry H

    2013-01-01

    The overall conformations of regulated myosins or heavy meromyosins from chicken/turkey, scallop, tarantula, limulus, and scorpion sources have been studied by a number of techniques, including electron microscopy, sedimentation, and pulsed electron paramagnetic resonance. These studies have indicated that the binding of regulatory ions changes the conformation of the molecule from a compact shape found in the "off" state of the muscle to extended relationships between the tail and independently mobile heads that predominate in the "on" state. Here we strengthen the argument for the generality of this conformational change by using small angle X-ray scattering on heavy meromyosin from squid. Small angle X-ray scattering allows the protein to be visualized in solution under mild and relatively physiological conditions, and squid differs from the other species studied by at least 500 million years of evolution. Analysis of the data indicates that upon addition of Ca(2+) the radius of gyration increases. Differences in the squid "on" and "off" states are clearly distinguishable as bimodal and unimodal pair distance distribution functions respectively. These observations are consistent with a Ca(2+)-free squid heavy meromyosin that is compact, but which becomes extended when Ca(2+) is bound. Further, the scattering profile derived from the current model of tarantula heavy meromyosin in the "off" state is in excellent agreement with the measured "off" state scattering profile for squid heavy meromyosin. The previous and current studies together provide significant evidence that regulated myosin's compact off-state conformation is an ancient trait, inherited from a common ancestor during divergent evolution. PMID:24358137

  17. Solution of two-body relativistic bound state equations with confining plus Coulomb interactions

    NASA Technical Reports Server (NTRS)

    Maung, Khin Maung; Kahana, David E.; Norbury, John W.

    1992-01-01

    Studies of meson spectroscopy have often employed a nonrelativistic Coulomb plus Linear Confining potential in position space. However, because the quarks in mesons move at an appreciable fraction of the speed of light, it is necessary to use a relativistic treatment of the bound state problem. Such a treatment is most easily carried out in momentum space. However, the position space Linear and Coulomb potentials lead to singular kernels in momentum space. Using a subtraction procedure we show how to remove these singularities exactly and thereby solve the Schroedinger equation in momentum space for all partial waves. Furthermore, we generalize the Linear and Coulomb potentials to relativistic kernels in four dimensional momentum space. Again we use a subtraction procedure to remove the relativistic singularities exactly for all partial waves. This enables us to solve three dimensional reductions of the Bethe-Salpeter equation. We solve six such equations for Coulomb plus Confining interactions for all partial waves.

  18. Ultrafast dynamics of excited state of phenoxy-phthalocyanines in solution

    NASA Astrophysics Data System (ADS)

    Yao, Cheng-Bao; Yan, Xiao-Yan; Sun, Da-Wei; Sui, Yan-Li; Li, Jin; Sun, Wen-Jun; Li, Qiang-Hua; Yang, Shou-Bin

    2016-01-01

    Ultrafast dynamics of the excited state of 2,9,16,23-phenoxy-phthalocyanine (Pc1) and 2,9,16,23-phenoxy-phthalocyanine-zinc (Pc2) has been investigated using femtosecond transient absorption (TA) and time-resolved fluorescence (TRFL) techniques. The observed dynamics of femtosecond TA and TRFL experiments are similar, which demonstrated the intrinsic properties of the excitation and the relaxation processes in both kinds of phthalocyanines with two decay components. A multi level model has been proposed to explain the photophysical processes after Soret-band excitation. The results show that the fast decay component dynamics comes from the intramolecular vibrational relaxation, the slower ones from the internal conversion. The samples are expected to be a potential candidate for optical applications and photodynamic therapy.

  19. Critical state solution of a cable made of curved thin superconducting tapes

    NASA Astrophysics Data System (ADS)

    Brambilla, Roberto; Grilli, Francesco

    2014-12-01

    In this paper, we develop a method based on the critical state for calculating the current and field distributions and AC losses in a cable made of curved thin superconducting tapes. The method also includes the possibility of considering spatial variation of the critical current density, which may be the result of the manufacturing process. For example, rare-earth-based coated conductors are known to have a decrease in transport properties near the edges of the tape: this influences the way the current and field penetrate the sample and, consequently, the AC losses. We demonstrate that curved tapes arranged on a cylindrical former behave as an infinite horizontal stack of straight tapes, and we compare the AC losses in a variety of working conditions, both without and with the lateral dependence of the critical current density. This model and subsequent similar approaches can be of interest for various applications of coated conductors, including power cables and conductor-on-round-core cables.

  20. Superconducting PM undiffused machines with stationary superconducting coils

    DOEpatents

    Hsu, John S.; Schwenterly, S. William

    2004-03-02

    A superconducting PM machine has a stator, a rotor and a stationary excitation source without the need of a ferromagnetic frame which is cryogenically cooled for operation in the superconducting state. PM material is placed between poles on the rotor to prevent leakage or diffusion of secondary flux before reaching the main air gap, or to divert PM flux where it is desired to weaken flux in the main air gap. The PM material provides hop-along capability for the machine in the event of a fault condition.

  1. Creation of Novel Solid-Solution Alloy Nanoparticles on the Basis of Density-of-States Engineering by Interelement Fusion.

    PubMed

    Kobayashi, Hirokazu; Kusada, Kohei; Kitagawa, Hiroshi

    2015-06-16

    Currently 118 known elements are represented in the periodic table. Of these 118 elements, only about 80 elements are stable, nonradioactive, and widely available for our society. From the viewpoint of the "elements strategy", we need to make full use of the 80 elements to bring out their latent ability and create innovative materials. Furthermore, there is a strong demand that the use of rare or toxic elements be reduced or replaced while their important properties are retained. Advanced science and technology could create higher-performance materials even while replacing or reducing minor or harmful elements through the combination of more abundant elements. The properties of elements are correlated directly with their electronic states. In a solid, the magnitude of the density of states (DOS) at the Fermi level affects the physical and chemical properties. In the present age, more attention has been paid to improving the properties of materials by means of alloying elements. In particular, the solid-solution-type alloy is advantageous because the properties can be continuously controlled by tuning the compositions and/or combinations of the constituent elements. However, the majority of bulk alloys are of the phase-separated type under ambient conditions, where constituent elements are immiscible with each other. To overcome the challenge of the bulk-phase metallurgical aspects, we have focused on the nanosize effect and developed methods involving "nonequilibrium synthesis" or "a process of hydrogen absorption/desorption". We propose a new concept of "density-of-states engineering" for the design of materials having the most desirable and suitable properties by means of "interelement fusion". In this Account, we describe novel solid-solution alloys of Pd-Pt, Ag-Rh, and Pd-Ru systems in which the constituent elements are immiscible in the bulk state. The homogeneous solid-solution alloys of Pd and Pt were created from Pd core/Pt shell nanoparticles using a

  2. Creation of Novel Solid-Solution Alloy Nanoparticles on the Basis of Density-of-States Engineering by Interelement Fusion.

    PubMed

    Kobayashi, Hirokazu; Kusada, Kohei; Kitagawa, Hiroshi

    2015-06-16

    Currently 118 known elements are represented in the periodic table. Of these 118 elements, only about 80 elements are stable, nonradioactive, and widely available for our society. From the viewpoint of the "elements strategy", we need to make full use of the 80 elements to bring out their latent ability and create innovative materials. Furthermore, there is a strong demand that the use of rare or toxic elements be reduced or replaced while their important properties are retained. Advanced science and technology could create higher-performance materials even while replacing or reducing minor or harmful elements through the combination of more abundant elements. The properties of elements are correlated directly with their electronic states. In a solid, the magnitude of the density of states (DOS) at the Fermi level affects the physical and chemical properties. In the present age, more attention has been paid to improving the properties of materials by means of alloying elements. In particular, the solid-solution-type alloy is advantageous because the properties can be continuously controlled by tuning the compositions and/or combinations of the constituent elements. However, the majority of bulk alloys are of the phase-separated type under ambient conditions, where constituent elements are immiscible with each other. To overcome the challenge of the bulk-phase metallurgical aspects, we have focused on the nanosize effect and developed methods involving "nonequilibrium synthesis" or "a process of hydrogen absorption/desorption". We propose a new concept of "density-of-states engineering" for the design of materials having the most desirable and suitable properties by means of "interelement fusion". In this Account, we describe novel solid-solution alloys of Pd-Pt, Ag-Rh, and Pd-Ru systems in which the constituent elements are immiscible in the bulk state. The homogeneous solid-solution alloys of Pd and Pt were created from Pd core/Pt shell nanoparticles using a

  3. Adaptive filters of stationary-noise compensation which correspond to a Toeplitz correlation-matrix structure

    NASA Astrophysics Data System (ADS)

    Abramovich, Iu. I.; Arov, D. Z.; Kachur, V. G.

    1987-12-01

    The paper considers the problem of finding the vector of an adaptive filter of stationary-noise compensation which corresponds to a Toeplitz correlation-matrix structure. The existence of a Toeplitz solution is demonstrated. Lower-bound estimates are obtained for the gain in noise-compensation efficiency using a priori information about the Toeplitz matrix structure. Constructive methods for obtaining adaptive solutions corresponding to these estimates are indicated.

  4. Stationary flow of non-Newtonian fluid with nonmonotone frictional boundary conditions

    NASA Astrophysics Data System (ADS)

    Dudek, Sylwia; Kalita, Piotr; Migórski, Stanisław

    2015-10-01

    We study the stationary two-dimensional incompressible flow of non-Newtonian fluid governed by a nonlinear constitutive law and with a multivalued nonmonotone subdifferential frictional boundary condition. We provide an abstract result on existence of solution to an operator inclusion modeling the flow phenomenon. We prove a theorem on existence and, under additional assumptions, also uniqueness of weak solution to the flow problem.

  5. Charged particle tunnels from the stationary and non-stationary Kerr-Newman black holes

    NASA Astrophysics Data System (ADS)

    Chen, Deyou; Yang, Shuzheng

    2007-09-01

    Considering the unfixed background space-time and self-gravitational interaction, we view the Hawking radiation of a stationary Kerr-Newman black hole by Hamilton-Jacobi method. Meanwhile, extending this work to non-stationary black holes, we attempt to investigate the Hawking radiation of the non-stationary Kerr-Newman black hole. Both of the results show the tunneling probabilities are related to the change of Bekenstein- Hawking entropy and the radiation spectrums deviate from the purely thermal one, which is in accordance with the known result.

  6. Evaluation of an amide-based stationary phase for supercritical fluid chromatography.

    PubMed

    Borges-Muñoz, Amaris C; Colón, Luis A

    2016-09-01

    J. Sep. Sci. 2016, 39, 3469-3476 A stationary phase containing an amide group embedded in a hydrophobic backbone (i.e., C18-amide) attached to silica particles was characterized by means of the linear solvation energy relationship model, which relates the chromatographic retention factor to specific solute interactions. The evaluationwas conducted under supercritical fluid chromatographic conditions using a mobile phase composition of carbon dioxide and methanol as co-solvent. The stationary phase showed to provide an alternate separation selectivity that is attractive to separate drug-like polar compounds in a relatively fast analysis time. PMID:27598573

  7. Damping device for a stationary labyrinth seal

    NASA Technical Reports Server (NTRS)

    El-Aini, Yehia M. (Inventor); Mitchell, William S. (Inventor); Roberts, Lawrence P. (Inventor); Montgomery, Stuart K. (Inventor); Davis, Gary A. (Inventor)

    2010-01-01

    A stationary labyrinth seal system includes a seal housing having an annular cavity, a plurality of damping devices, and a retaining ring. The damping devices are positioned within the annular cavity and are maintained within the annular cavity by the retaining ring.

  8. Periodically correlated processes and their stationary dilations

    NASA Technical Reports Server (NTRS)

    Miamee, A. G.

    1988-01-01

    An explicit form for a stationary dilation for periodically correlated random processes is obtained. This is then used to give spectral conditions for a periodically correlated process to be non-deterministic, purely deterministic, minimal, and to have a positive angle between its past and future.

  9. Multidivergent-beam stationary cardiac SPECT.

    PubMed

    Zeng, Gengsheng L; Stevens, Andrew M

    2009-07-01

    This article develops a stationary cardiac single photon emission computed tomography (SPECT) system using a novel multidivergent-beam collimator. This stationary SPECT system is inexpensive to build, small, and able to acquire true dynamic SPECT data. Stationary cardiac SPECT systems with multipinhole technology already exist. The proposed approach is to replace the multipinhole collimators with the originally designed multidivergent-beam collimators. The motivation for replacing the pinhole technology by divergent-beam technology is based on the following facts. The resolution/sensitivity trade-off for the pinhole is excellent (good resolution and good sensitivity) only in small object (e.g., small animal) imaging when it operates in the image magnifying mode. However, in large object (e.g., human) imaging, the resolution/sensitivity trade-off is poor (poor resolution and poor sensitivity) when the pinhole operates in the image reducing mode. In a stationary system, the number of angular views is limited; thus, image reduction is necessary to obtain more view angles. In this image reducing situation, divergent-beam collimation is able to provide better resolution and detection sensitivity than pinhole collimation. Computer simulations are carried out to verified the claims. PMID:19673185

  10. Stationary Engineering. Science 2. Teachers Guide.

    ERIC Educational Resources Information Center

    Frost, Harold J.; Steingress, Frederick M.

    This teachers guide to be used with the second-year student manual, "Stationary Engineering Science Manual--2," contains 140 lesson plans, corresponding to the lessons in the student manual. The lessons are brief and each involves concrete trade experiences where science is applied with 26 lessons also involving mathematical problems used in the…

  11. Structural topology of phospholamban pentamer in lipid bilayers by a hybrid solution and solid-state NMR method

    PubMed Central

    Verardi, Raffaello; Shi, Lei; Traaseth, Nathaniel J.; Walsh, Naomi; Veglia, Gianluigi

    2011-01-01

    Phospholamban (PLN) is a type II membrane protein that inhibits the sarcoplasmic reticulum Ca2+-ATPase (SERCA), thereby regulating calcium homeostasis in cardiac muscle. In membranes, PLN forms pentamers that have been proposed to function either as a storage for active monomers or as ion channels. Here, we report the T-state structure of pentameric PLN solved by a hybrid solution and solid-state NMR method. In lipid bilayers, PLN adopts a pinwheel topology with a narrow hydrophobic pore, which excludes ion transport. In the T state, the cytoplasmic amphipathic helices (domains Ia) are absorbed into the lipid bilayer with the transmembrane domains arranged in a left-handed coiled-coil configuration, crossing the bilayer with a tilt angle of approximately 11° with respect to the membrane normal. The tilt angle difference between the monomer and pentamer is approximately 13°, showing that intramembrane helix–helix association forces dominate over the hydrophobic mismatch, driving the overall topology of the transmembrane assembly. Our data reveal that both topology and function of PLN are shaped by the interactions with lipids, which fine-tune the regulation of SERCA. PMID:21576492

  12. Stationary plasma thruster evaluation in Russia

    NASA Technical Reports Server (NTRS)

    Brophy, John R.

    1992-01-01

    A team of electric propulsion specialists from U.S. government laboratories experimentally evaluated the performance of a 1.35-kW Stationary Plasma Thruster (SPT) at the Scientific Research Institute of Thermal Processes in Moscow and at 'Fakel' Enterprise in Kaliningrad, Russia. The evaluation was performed using a combination of U.S. and Russian instrumentation and indicated that the actual performance of the thruster appears to be close to the claimed performance. The claimed performance was a specific impulse of 16,000 m/s, an overall efficiency of 50 percent, and an input power of 1.35 kW, and is superior to the performance of western electric thrusters at this specific impulse. The unique performance capabilities of the stationary plasma thruster, along with claims that more than fifty of the 660-W thrusters have been flown in space on Russian spacecraft, attracted the interest of western spacecraft propulsion specialists. A two-phase program was initiated to evaluate the stationary plasma thruster performance and technology. The first phase of this program, to experimentally evaluate the performance of the thruster with U.S. instrumentation in Russia, is described in this report. The second phase objective is to determine the suitability of the stationary plasma thruster technology for use on western spacecraft. This will be accomplished by bringing stationary plasma thrusters to the U.S. for quantification of thruster erosion rates, measurements of the performance variation as a function of long-duration operation, quantification of the exhaust beam divergence angle, and determination of the non-propellant efflux from the thruster. These issues require quantification in order to maximize the probability for user application of the SPT technology and significantly increase the propulsion capabilities of U.S. spacecraft.

  13. The appearance of Ti3+ states in solution-processed TiOx buffer layers in inverted organic photovoltaics

    NASA Astrophysics Data System (ADS)

    Zhidkov, Ivan S.; McLeod, John A.; Kurmaev, Ernst Z.; Korotin, Michael A.; Kukharenko, Andrey I.; Savva, Achilleas; Choulis, Stelios A.; Korotin, Danila M.; Cholakh, Seif O.

    2016-07-01

    We study the low-temperature solution processed TiOx films and device structures using core level and valence X-ray photoelectron spectroscopy (XPS) and electronic structure calculations. We are able to correlate the fraction of Ti3+ present as obtained from Ti 2p core level XPS with the intensity of the defect states that appear within the band gap as observed with our valence XPS. Constructing an operating inverted organic photovoltaic (OPV) using the TiOx film as an electron selective contact may increase the fraction of Ti3+ present. We provide evidence that the number of charge carriers in TiOx can be significantly varied and this might influence the performance of inverted OPVs.

  14. Impediments and solutions to sustainable, watershed-scale urban stormwater management: lessons from Australia and the United States.

    PubMed

    Roy, Allison H; Wenger, Seth J; Fletcher, Tim D; Walsh, Christopher J; Ladson, Anthony R; Shuster, William D; Thurston, Hale W; Brown, Rebekah R

    2008-08-01

    In urban and suburban areas, stormwater runoff is a primary stressor on surface waters. Conventional urban stormwater drainage systems often route runoff directly to streams and rivers, thus exacerbating pollutant inputs and hydrologic disturbance, and resulting in the degradation of ecosystem structure and function. Decentralized stormwater management tools, such as low impact development (LID) or water sensitive urban design (WSUD), may offer a more sustainable solution to stormwater management if implemented at a watershed scale. These tools are designed to pond, infiltrate, and harvest water at the source, encouraging evaporation, evapotranspiration, groundwater recharge, and re-use of stormwater. While there are numerous demonstrations of WSUD practices, there are few examples of widespread implementation at a watershed scale with the explicit objective of protecting or restoring a receiving stream. This article identifies seven major impediments to sustainable urban stormwater management: (1) uncertainties in performance and cost, (2) insufficient engineering standards and guidelines, (3) fragmented responsibilities, (4) lack of institutional capacity, (5) lack of legislative mandate, (6) lack of funding and effective market incentives, and (7) resistance to change. By comparing experiences from Australia and the United States, two developed countries with existing conventional stormwater infrastructure and escalating stream ecosystem degradation, we highlight challenges facing sustainable urban stormwater management and offer several examples of successful, regional WSUD implementation. We conclude by identifying solutions to each of the seven impediments that, when employed separately or in combination, should encourage widespread implementation of WSUD with watershed-based goals to protect human health and safety, and stream ecosystems.

  15. Ground state sign-changing solutions for a class of Schrödinger-Poisson type problems in R3

    NASA Astrophysics Data System (ADS)

    Chen, Sitong; Tang, Xianhua

    2016-08-01

    This paper is dedicated to studying the following Schrödinger-Poisson system -triangle u+V(x)u+λφ u=K(x)f(u),& quad xin R3,-triangleφ= u^2,quad xin R3, where V, K are positive continuous potentials, f is a continuous function and {λ} is a positive parameter. We develop a direct approach to establish the existence of one ground state sign-changing solution {u_λ} with precisely two nodal domains, by introducing a weaker condition that there exists {θ_0in (0,1)} such that K(x)[f(τ)/τ^3-f(tτ)/(tτ)^3 ]sign(1-t)+θ_0V(x)|1-t^2|/(tτ)^2 ≥ 0, quad forall x in R^3, t > 0, τ≠ 0 than the usual increasing condition on {f(t)/|t|^3}. Under the above condition, we also prove that the energy of any sign-changing solution is strictly larger than two times the least energy, and give a convergence property of {u_λ} as {λsearrow 0}.

  16. Solute drag on perfect and extended dislocations

    NASA Astrophysics Data System (ADS)

    Sills, R. B.; Cai, W.

    2016-04-01

    The drag force exerted on a moving dislocation by a field of mobile solutes is studied in the steady state. The drag force is numerically calculated as a function of the dislocation velocity for both perfect and extended dislocations. The sensitivity of the non-dimensionalized force-velocity curve to the various controlling parameters is assessed, and an approximate analytical force-velocity expression is given. A non-dimensional parameter S characterizing the strength of the solute-dislocation interaction, the background solute fraction ?, and the dislocation character angle ?, are found to have the strongest influence on the force-velocity curve. Within the model considered here, a perfect screw dislocation experiences no solute drag, but an extended screw dislocation experiences a non-zero drag force that is about 10 to 30% of the drag on an extended edge dislocation. The solutes can change the spacing between the Shockley partials in both stationary and moving extended dislocations, even when the stacking fault energy remains unaltered. Under certain conditions, the solutes destabilize an extended dislocation by either collapsing it into a perfect dislocation or causing the partials to separate unboundedly. It is proposed that the latter instability may lead to the formation of large faulted areas and deformation twins in low stacking fault energy materials containing solutes, consistent with experimental observations of copper and stainless steel containing hydrogen.

  17. Identification of aquatically available carbon from algae through solution-state NMR of whole (13)C-labelled cells.

    PubMed

    Akhter, Mohammad; Dutta Majumdar, Rudraksha; Fortier-McGill, Blythe; Soong, Ronald; Liaghati-Mobarhan, Yalda; Simpson, Myrna; Arhonditsis, George; Schmidt, Sebastian; Heumann, Hermann; Simpson, André J

    2016-06-01

    Green algae and cyanobacteria are primary producers with profound impact on food web functioning. Both represent key carbon sources and sinks in the aquatic environment, helping modulate the dissolved organic matter balance and representing a potential biofuel source. Underlying the impact of algae and cyanobacteria on an ecosystem level is their molecular composition. Herein, intact (13)C-labelled whole cell suspensions of Chlamydomonas reinhardtii, Chlorella vulgaris and Synechocystis were studied using a variety of 1D and 2D (1)H/(13)C solution-state nuclear magnetic resonance (NMR) spectroscopic experiments. Solution-state NMR spectroscopy of whole cell suspensions is particularly relevant as it identifies species that are mobile (dissolved or dynamic gels), 'aquatically available' and directly contribute to the aquatic carbon pool upon lysis, death or become a readily available food source on consumption. In this study, a wide range of metabolites and structural components were identified within the whole cell suspensions. In addition, significant differences in the lipid/triacylglyceride (TAG) content of green algae and cyanobacteria were confirmed. Mobile species in algae are quite different from those in abundance in 'classic' dissolved organic matter (DOM) indicating that if algae are major contributors to DOM, considerable selective preservation of minor components (e.g. sterols) or biotransformation would have to occur. Identifying the metabolites and dissolved components within algal cells by NMR permits future studies of carbon transfer between species and through the food chain, whilst providing a foundation to better understand the role of algae in the formation of DOM and the sequestration/transformation of carbon in aquatic environments. PMID:27074782

  18. Identification of aquatically available carbon from algae through solution-state NMR of whole (13)C-labelled cells.

    PubMed

    Akhter, Mohammad; Dutta Majumdar, Rudraksha; Fortier-McGill, Blythe; Soong, Ronald; Liaghati-Mobarhan, Yalda; Simpson, Myrna; Arhonditsis, George; Schmidt, Sebastian; Heumann, Hermann; Simpson, André J

    2016-06-01

    Green algae and cyanobacteria are primary producers with profound impact on food web functioning. Both represent key carbon sources and sinks in the aquatic environment, helping modulate the dissolved organic matter balance and representing a potential biofuel source. Underlying the impact of algae and cyanobacteria on an ecosystem level is their molecular composition. Herein, intact (13)C-labelled whole cell suspensions of Chlamydomonas reinhardtii, Chlorella vulgaris and Synechocystis were studied using a variety of 1D and 2D (1)H/(13)C solution-state nuclear magnetic resonance (NMR) spectroscopic experiments. Solution-state NMR spectroscopy of whole cell suspensions is particularly relevant as it identifies species that are mobile (dissolved or dynamic gels), 'aquatically available' and directly contribute to the aquatic carbon pool upon lysis, death or become a readily available food source on consumption. In this study, a wide range of metabolites and structural components were identified within the whole cell suspensions. In addition, significant differences in the lipid/triacylglyceride (TAG) content of green algae and cyanobacteria were confirmed. Mobile species in algae are quite different from those in abundance in 'classic' dissolved organic matter (DOM) indicating that if algae are major contributors to DOM, considerable selective preservation of minor components (e.g. sterols) or biotransformation would have to occur. Identifying the metabolites and dissolved components within algal cells by NMR permits future studies of carbon transfer between species and through the food chain, whilst providing a foundation to better understand the role of algae in the formation of DOM and the sequestration/transformation of carbon in aquatic environments.

  19. Stationary bubbles and their tunneling channels toward trivial geometry

    DOE PAGESBeta

    Chen, Pisin; Domènech, Guillem; Sasaki, Misao; Yeom, Dong-han

    2016-04-07

    In the path integral approach, one has to sum over all histories that start from the same initial condition in order to obtain the final condition as a superposition of histories. Applying this into black hole dynamics, we consider stable and unstable stationary bubbles as a reasonable and regular initial condition. We find examples where the bubble can either form a black hole or tunnel toward a trivial geometry, i.e., with no singularity nor event horizon. We investigate the dynamics and tunneling channels of true vacuum bubbles for various tensions. In particular, in line with the idea of superposition ofmore » geometries, we build a classically stable stationary thin-shell solution in a Minkowski background where its fate is probabilistically given by non-perturbative effects. Since there exists a tunneling channel toward a trivial geometry in the entire path integral, the entire information is encoded in the wave function. This demonstrates that the unitarity is preserved and there is no loss of information when viewed from the entire wave function of the universe, whereas a semi-classical observer, who can see only a definitive geometry, would find an effective loss of information. Ultimately, this may provide a resolution to the information loss dilemma.« less

  20. Sampling and analysis information aids for stationary source personnel

    SciTech Connect

    Jackson, M.D.; Johnson, L.D.

    1994-12-31

    The Environmental Protection Agency, in developing and evaluating samples and analysis methodology for stationary sources, has compiled information on availability and applicability of sampling and analytical methods. Information has also been summarized on the applicability of the gas chromatography/mass spectrometry as the analytical method. All of this information is accessible in three documents: ``Stationary Source Sampling and Analysis Directory, Version 2`` (SSSADIR), ``Handbook of GC/MS Data and Information for Selected Clean Air Act Amendments Compounds`` (Handbook), and ``Literature Review of CAAA Compounds`` (LitRev). The SSSADIR has information on which sampling and analytical methods to use for organic compounds listed in Title 3 of the Clean Air Act Amendments (CAAA) of 1990, as well as Appendices 8 and 9 of RCRA compounds, and the status of method evaluation for these analytes. The Handbook provides information on the mass spectra of selected CAAA analytes, primary quantitation ions, relative retention times and compatibility of the organic compounds in solution. The LitRev provides information on CAAA compounds for which EPA has no potential methods available but provides suggestions on ways to develop methods.

  1. Stationary bubbles and their tunneling channels toward trivial geometry

    NASA Astrophysics Data System (ADS)

    Chen, Pisin; Domènech, Guillem; Sasaki, Misao; Yeom, Dong-han

    2016-04-01

    In the path integral approach, one has to sum over all histories that start from the same initial condition in order to obtain the final condition as a superposition of histories. Applying this into black hole dynamics, we consider stable and unstable stationary bubbles as a reasonable and regular initial condition. We find examples where the bubble can either form a black hole or tunnel toward a trivial geometry, i.e., with no singularity nor event horizon. We investigate the dynamics and tunneling channels of true vacuum bubbles for various tensions. In particular, in line with the idea of superposition of geometries, we build a classically stable stationary thin-shell solution in a Minkowski background where its fate is probabilistically given by non-perturbative effects. Since there exists a tunneling channel toward a trivial geometry in the entire path integral, the entire information is encoded in the wave function. This demonstrates that the unitarity is preserved and there is no loss of information when viewed from the entire wave function of the universe, whereas a semi-classical observer, who can see only a definitive geometry, would find an effective loss of information. This may provide a resolution to the information loss dilemma.

  2. Pattern formation in the thiourea-iodate-sulfite system: Spatial bistability, waves, and stationary patterns

    NASA Astrophysics Data System (ADS)

    Horváth, Judit; Szalai, István; De Kepper, Patrick

    2010-06-01

    We present a detailed study of the reaction-diffusion patterns observed in the thiourea-iodate-sulfite (TuIS) reaction, operated in open one-side-fed reactors. Besides spatial bistability and spatio-temporal oscillatory dynamics, this proton autoactivated reaction shows stationary patterns, as a result of two back-to-back Turing bifurcations, in the presence of a low-mobility proton binding agent (sodium polyacrylate). This is the third aqueous solution system to produce stationary patterns and the second to do this through a Turing bifurcation. The stationary pattern forming capacities of the reaction are explored through a systematic design method, which is applicable to other bistable and oscillatory reactions. The spatio-temporal dynamics of this reaction is compared with that of the previous ferrocyanide-iodate-sulfite mixed Landolt system.

  3. EDITORIAL: CAMOP: Quantum Non-Stationary Systems CAMOP: Quantum Non-Stationary Systems

    NASA Astrophysics Data System (ADS)

    Dodonov, Victor V.; Man'ko, Margarita A.

    2010-09-01

    Although time-dependent quantum systems have been studied since the very beginning of quantum mechanics, they continue to attract the attention of many researchers, and almost every decade new important discoveries or new fields of application are made. Among the impressive results or by-products of these studies, one should note the discovery of the path integral method in the 1940s, coherent and squeezed states in the 1960-70s, quantum tunneling in Josephson contacts and SQUIDs in the 1960s, the theory of time-dependent quantum invariants in the 1960-70s, different forms of quantum master equations in the 1960-70s, the Zeno effect in the 1970s, the concept of geometric phase in the 1980s, decoherence of macroscopic superpositions in the 1980s, quantum non-demolition measurements in the 1980s, dynamics of particles in quantum traps and cavity QED in the 1980-90s, and time-dependent processes in mesoscopic quantum devices in the 1990s. All these topics continue to be the subject of many publications. Now we are witnessing a new wave of interest in quantum non-stationary systems in different areas, from cosmology (the very first moments of the Universe) and quantum field theory (particle pair creation in ultra-strong fields) to elementary particle physics (neutrino oscillations). A rapid increase in the number of theoretical and experimental works on time-dependent phenomena is also observed in quantum optics, quantum information theory and condensed matter physics. Time-dependent tunneling and time-dependent transport in nano-structures are examples of such phenomena. Another emerging direction of study, stimulated by impressive progress in experimental techniques, is related to attempts to observe the quantum behavior of macroscopic objects, such as mirrors interacting with quantum fields in nano-resonators. Quantum effects manifest themselves in the dynamics of nano-electromechanical systems; they are dominant in the quite new and very promising field of circuit

  4. Algebraic solution of the mass balanced ADM1 to predict the steady state and to optimise the design of the anaerobic digestion of sewage sludge.

    PubMed

    de Gracia, M; Huete, E; García-Heras, J L; Ayesa, E

    2007-01-01

    This paper proposes an algebraic solution of the mass and charge balanced ADM1 model to predict the steady state performance of an anaerobic digester for sewage sludge treatment. The algebraic solution consists of three sequential stages: a kinetic stage that considers only the slowest transformations of the model, a stoichiometric stage based on the complete mass fluxes of the biological process and a physicochemical stage from which some digester outputs are calculated. The predictive capacity and the applicability of this model solution are corroborated by its comparison to the differential equation's model solution and the experimental data of a real case study. The algebraic solution is used to explore the digester response under different operational conditions. An example of application is used to verify the potential of the algebraic solution to be used, together with optimisation algorithms, for optimising the design of the digester and the operational conditions for specified performance criteria, such as effluent quality. PMID:18025740

  5. Framework for Assessing Biogenic CO2 Emissions from Stationary Sources

    EPA Science Inventory

    This revision of the 2011 report, Accounting Framework for Biogenic CO2 Emissions from Stationary Sources, evaluates biogenic CO2 emissions from stationary sources, including a detailed study of the scientific and technical issues associated with assessing biogenic carbon dioxide...

  6. Survival guide: Escherichia coli in the stationary phase

    PubMed Central

    Pletnev, P.; Osterman, I.; Sergiev, P.; Bogdanov, A.; Dontsova, O.

    2015-01-01

    This review centers on the stationary phase of bacterial culture. The basic processes specific to the stationary phase, as well as the regulatory mechanisms that allow the bacteria to survive in conditions of stress, are described. PMID:26798489

  7. Black hole energy extraction via a stationary scalar analog of the Blandford-Znajek mechanism

    NASA Astrophysics Data System (ADS)

    Wilson-Gerow, Jordan; Ritz, Adam

    2016-02-01

    We study superradiant scalar field configurations around Kerr black holes that possess a time-independent energy-momentum tensor. Motivated by the electromagnetic Blandford-Znajek (BZ) mechanism for black hole energy extraction, we explore whether scalar solutions could serve as a tractable proxy for the force-free magnetosphere in the BZ process. While stationary "scalar cloud" solutions, confined near the black hole by their own mass or a mirror at fixed radius, only exist at the threshold for energy extraction, we find that a stationary solution in the superradiant regime can be constructed when the reflecting mirror is replaced by a semipermeable surface. Tuning the boundary conditions on this surface allows some energy to be radiated to infinity while maintaining self-sustained superradiance. The time-independent radial energy flux displays the same behavior for rapidly rotating holes as magnetohydrodynamic simulations predict for the BZ mechanism.

  8. Vibrational and electronic spectroscopy of the retro-carotenoid rhodoxanthin in avian plumage, solid-state films, and solution.

    PubMed

    Berg, Christopher J; LaFountain, Amy M; Prum, Richard O; Frank, Harry A; Tauber, Michael J

    2013-11-15

    Rhodoxanthin is one of few retro-carotenoids in nature. These chromophores are defined by a pattern of single and double bond alternation that is reversed relative to most carotenoids. Rhodoxanthin is found in the plumage of several families of birds, including fruit doves (Ptilinopus, Columbidae) and the red cotingas (Phoenicircus, Cotingidae). The coloration associated with the rhodoxanthin-containing plumage of these fruit dove and cotinga species ranges from brilliant red to magenta or purple. In the present study, rhodoxanthin is characterized in situ by UV-Vis reflectance and resonance Raman spectroscopy to gain insights into the mechanisms of color-tuning. The spectra are compared with those of the isolated pigment in solution and in thin solid films. Key vibrational signatures are identified for three isomers of rhodoxanthin, primarily in the fingerprint region. Electronic structure (DFT) calculations are employed to describe the normal modes of vibration, and determine characteristic modes of retro-carotenoids. These results are discussed in the context of various mechanisms that change the electronic absorption, including structural distortion of the chromophore or enhanced delocalization of π-electrons in the ground-state. From the spectroscopic evidence, we suggest that the shift in absorption is likely a consequence of perturbations that primarily affect the excited state of the chromophore. PMID:24055537

  9. Solid-, solution-, and gas-state NMR monitoring of ¹³C-cellulose degradation in an anaerobic microbial ecosystem.

    PubMed

    Yamazawa, Akira; Iikura, Tomohiro; Shino, Amiu; Date, Yasuhiro; Kikuchi, Jun

    2013-07-29

    Anaerobic digestion of biomacromolecules in various microbial ecosystems is influenced by the variations in types, qualities, and quantities of chemical components. Nuclear magnetic resonance (NMR) spectroscopy is a powerful tool for characterizing the degradation of solids to gases in anaerobic digestion processes. Here we describe a characterization strategy using NMR spectroscopy for targeting the input solid insoluble biomass, catabolized soluble metabolites, and produced gases. ¹³C-labeled cellulose produced by Gluconacetobacter xylinus was added as a substrate to stirred tank reactors and gradually degraded for 120 h. The time-course variations in structural heterogeneity of cellulose catabolism were determined using solid-state NMR, and soluble metabolites produced by cellulose degradation were monitored using solution-state NMR. In particular, cooperative changes between the solid NMR signal and ¹³C-¹³C/¹³C-¹²C isotopomers in the microbial degradation of ¹³C-cellulose were revealed by a correlation heat map. The triple phase NMR measurements demonstrated that cellulose was anaerobically degraded, fermented, and converted to methane gas from organic acids such as acetic acid and butyric acid.

  10. Excited state properties of naphtho-homologated xxDNA bases and effect of methanol solution, deoxyribose, and base pairing.

    PubMed

    Zhang, Laibin; Ren, Tingqi; Tian, Jianxiang; Yang, Xiuqin; Zhou, Liuzhu; Li, Xiaoming

    2013-04-18

    Design and synthesis of fluorescent nucleobase analogues for studying structures and dynamics of nucleic acids have attracted much attention in recent years. In the present work, a comprehensive theoretical study of electronic transitions of naphtho-homologated base analogues, namely, xxC, xxT, xxA, and xxG, was performed. The nature of the low-lying excited states was discussed, and the results were compared with those of x-bases. Geometrical characteristics of the lowest excited singlet ππ* states were explored using the CIS method. The calculated excitation maxima are 423, 397, 383, and 357 nm for xxA, xxG, xxC, and xxT, respectively, and they are greatly red-shifted compared with x-bases and natural bases, allowing them to be selectively excited in the presence of the natural bases. In the gas phase, the fluorescence from them would be expected to occur around 497, 461, 457, and 417 nm, respectively. The effects of methanol solution, deoxyribose, and base paring with their complementary natural bases on the relevant absorption and emission spectra of these modified bases were also examined.

  11. Stationary patterns in centrifugally driven interfacial elastic fingering.

    PubMed

    Carvalho, Gabriel D; Gadêlha, Hermes; Miranda, José A

    2014-12-01

    A vortex sheet formalism is used to search for equilibrium shapes in the centrifugally driven interfacial elastic fingering problem. We study the development of interfacial instabilities when a viscous fluid surrounded by another of smaller density flows in the confined environment of a rotating Hele-Shaw cell. The peculiarity of the situation is associated to the fact that, due to a chemical reaction, the two-fluid boundary becomes an elastic layer. The interplay between centrifugal and elastic forces leads to the formation of a rich variety of stationary shapes. Visually striking equilibrium morphologies are obtained from the numerical solution of a nonlinear differential equation for the interface curvature (the shape equation), determined by a zero vorticity condition. Classification of the various families of shapes is made via two dimensionless parameters: an effective bending rigidity (ratio of elastic to centrifugal effects) and a geometrical radius of gyration. PMID:25615189

  12. Stationary patterns in centrifugally driven interfacial elastic fingering

    NASA Astrophysics Data System (ADS)

    Carvalho, Gabriel D.; Gadêlha, Hermes; Miranda, José A.

    2014-12-01

    A vortex sheet formalism is used to search for equilibrium shapes in the centrifugally driven interfacial elastic fingering problem. We study the development of interfacial instabilities when a viscous fluid surrounded by another of smaller density flows in the confined environment of a rotating Hele-Shaw cell. The peculiarity of the situation is associated to the fact that, due to a chemical reaction, the two-fluid boundary becomes an elastic layer. The interplay between centrifugal and elastic forces leads to the formation of a rich variety of stationary shapes. Visually striking equilibrium morphologies are obtained from the numerical solution of a nonlinear differential equation for the interface curvature (the shape equation), determined by a zero vorticity condition. Classification of the various families of shapes is made via two dimensionless parameters: an effective bending rigidity (ratio of elastic to centrifugal effects) and a geometrical radius of gyration.

  13. Battery technologies for large-scale stationary energy storage.

    PubMed

    Soloveichik, Grigorii L

    2011-01-01

    In recent years, with the deployment of renewable energy sources, advances in electrified transportation, and development in smart grids, the markets for large-scale stationary energy storage have grown rapidly. Electrochemical energy storage methods are strong candidate solutions due to their high energy density, flexibility, and scalability. This review provides an overview of mature and emerging technologies for secondary and redox flow batteries. New developments in the chemistry of secondary and flow batteries as well as regenerative fuel cells are also considered. Advantages and disadvantages of current and prospective electrochemical energy storage options are discussed. The most promising technologies in the short term are high-temperature sodium batteries with β″-alumina electrolyte, lithium-ion batteries, and flow batteries. Regenerative fuel cells and lithium metal batteries with high energy density require further research to become practical. PMID:22432629

  14. Battery technologies for large-scale stationary energy storage.

    PubMed

    Soloveichik, Grigorii L

    2011-01-01

    In recent years, with the deployment of renewable energy sources, advances in electrified transportation, and development in smart grids, the markets for large-scale stationary energy storage have grown rapidly. Electrochemical energy storage methods are strong candidate solutions due to their high energy density, flexibility, and scalability. This review provides an overview of mature and emerging technologies for secondary and redox flow batteries. New developments in the chemistry of secondary and flow batteries as well as regenerative fuel cells are also considered. Advantages and disadvantages of current and prospective electrochemical energy storage options are discussed. The most promising technologies in the short term are high-temperature sodium batteries with β″-alumina electrolyte, lithium-ion batteries, and flow batteries. Regenerative fuel cells and lithium metal batteries with high energy density require further research to become practical.

  15. Relativistic elasticity of stationary fluid branes

    NASA Astrophysics Data System (ADS)

    Armas, Jay; Obers, Niels A.

    2013-02-01

    Fluid mechanics can be formulated on dynamical surfaces of arbitrary codimension embedded in a background space-time. This has been the main object of study of the blackfold approach in which the emphasis has primarily been on stationary fluid configurations. Motivated by this approach we show under certain conditions that a given stationary fluid configuration living on a dynamical surface of vanishing thickness and satisfying locally the first law of thermodynamics will behave like an elastic brane when the surface is subject to small deformations. These results, which are independent of the number of space-time dimensions and of the fluid arising from a gravitational dual, reveal the (electro)elastic character of (charged) black branes when considering extrinsic perturbations.

  16. Stationary SMS lenses for concentrating photovoltaics

    NASA Astrophysics Data System (ADS)

    Kotsidas, Panagiotis; Chatzi, Eleni; Modi, Vijay

    2010-08-01

    This paper presents a novel approach regarding the design of stationary, non imaging, refractive lenses with high acceptance angles. A lens lies on a stationary aperture and as the sun moves throughout the day, the concentrated focal spot is tracked by a moving solar cell. The purpose of this work is to replace the 2-axis tracking of the sun with internal motion of the miniaturized solar cell inside the module. We show families of linear lenses with wide acceptance angles 60. and 30. achieving moderate concentrations of 10 - 30 suns. The lens is designed with a variation of the simultaneous multiple surface (SMS) technique which is combined with a genetic algorithm to optimize the free variables of the problem.

  17. 30 CFR 56.14115 - Stationary grinding machines.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 30 Mineral Resources 1 2012-07-01 2012-07-01 false Stationary grinding machines. 56.14115 Section... Equipment Safety Devices and Maintenance Requirements § 56.14115 Stationary grinding machines. Stationary grinding machines, other than special bit grinders, shall be equipped with— (a) Peripheral hoods capable...

  18. 30 CFR 56.14115 - Stationary grinding machines.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 30 Mineral Resources 1 2014-07-01 2014-07-01 false Stationary grinding machines. 56.14115 Section... Equipment Safety Devices and Maintenance Requirements § 56.14115 Stationary grinding machines. Stationary grinding machines, other than special bit grinders, shall be equipped with— (a) Peripheral hoods capable...

  19. 30 CFR 57.14115 - Stationary grinding machines.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 30 Mineral Resources 1 2012-07-01 2012-07-01 false Stationary grinding machines. 57.14115 Section... and Equipment Safety Devices and Maintenance Requirements § 57.14115 Stationary grinding machines. Stationary grinding machines, other than special bit grinders, shall be equipped with— (a) Peripheral...

  20. 30 CFR 75.1723 - Stationary grinding machines; protective devices.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Stationary grinding machines; protective devices. 75.1723 Section 75.1723 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF....1723 Stationary grinding machines; protective devices. (a) Stationary grinding machines other...