Sample records for saddle point method

  1. Feature-Based Retinal Image Registration Using D-Saddle Feature

    PubMed Central

    Hasikin, Khairunnisa; A. Karim, Noor Khairiah; Ahmedy, Fatimah

    2017-01-01

    Retinal image registration is important to assist diagnosis and monitor retinal diseases, such as diabetic retinopathy and glaucoma. However, registering retinal images for various registration applications requires the detection and distribution of feature points on the low-quality region that consists of vessels of varying contrast and sizes. A recent feature detector known as Saddle detects feature points on vessels that are poorly distributed and densely positioned on strong contrast vessels. Therefore, we propose a multiresolution difference of Gaussian pyramid with Saddle detector (D-Saddle) to detect feature points on the low-quality region that consists of vessels with varying contrast and sizes. D-Saddle is tested on Fundus Image Registration (FIRE) Dataset that consists of 134 retinal image pairs. Experimental results show that D-Saddle successfully registered 43% of retinal image pairs with average registration accuracy of 2.329 pixels while a lower success rate is observed in other four state-of-the-art retinal image registration methods GDB-ICP (28%), Harris-PIIFD (4%), H-M (16%), and Saddle (16%). Furthermore, the registration accuracy of D-Saddle has the weakest correlation (Spearman) with the intensity uniformity metric among all methods. Finally, the paired t-test shows that D-Saddle significantly improved the overall registration accuracy of the original Saddle. PMID:29204257

  2. Acceleration of saddle-point searches with machine learning.

    PubMed

    Peterson, Andrew A

    2016-08-21

    In atomistic simulations, the location of the saddle point on the potential-energy surface (PES) gives important information on transitions between local minima, for example, via transition-state theory. However, the search for saddle points often involves hundreds or thousands of ab initio force calls, which are typically all done at full accuracy. This results in the vast majority of the computational effort being spent calculating the electronic structure of states not important to the researcher, and very little time performing the calculation of the saddle point state itself. In this work, we describe how machine learning (ML) can reduce the number of intermediate ab initio calculations needed to locate saddle points. Since machine-learning models can learn from, and thus mimic, atomistic simulations, the saddle-point search can be conducted rapidly in the machine-learning representation. The saddle-point prediction can then be verified by an ab initio calculation; if it is incorrect, this strategically has identified regions of the PES where the machine-learning representation has insufficient training data. When these training data are used to improve the machine-learning model, the estimates greatly improve. This approach can be systematized, and in two simple example problems we demonstrate a dramatic reduction in the number of ab initio force calls. We expect that this approach and future refinements will greatly accelerate searches for saddle points, as well as other searches on the potential energy surface, as machine-learning methods see greater adoption by the atomistics community.

  3. Acceleration of saddle-point searches with machine learning

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Peterson, Andrew A., E-mail: andrew-peterson@brown.edu

    In atomistic simulations, the location of the saddle point on the potential-energy surface (PES) gives important information on transitions between local minima, for example, via transition-state theory. However, the search for saddle points often involves hundreds or thousands of ab initio force calls, which are typically all done at full accuracy. This results in the vast majority of the computational effort being spent calculating the electronic structure of states not important to the researcher, and very little time performing the calculation of the saddle point state itself. In this work, we describe how machine learning (ML) can reduce the numbermore » of intermediate ab initio calculations needed to locate saddle points. Since machine-learning models can learn from, and thus mimic, atomistic simulations, the saddle-point search can be conducted rapidly in the machine-learning representation. The saddle-point prediction can then be verified by an ab initio calculation; if it is incorrect, this strategically has identified regions of the PES where the machine-learning representation has insufficient training data. When these training data are used to improve the machine-learning model, the estimates greatly improve. This approach can be systematized, and in two simple example problems we demonstrate a dramatic reduction in the number of ab initio force calls. We expect that this approach and future refinements will greatly accelerate searches for saddle points, as well as other searches on the potential energy surface, as machine-learning methods see greater adoption by the atomistics community.« less

  4. Localized saddle-point search and application to temperature-accelerated dynamics

    NASA Astrophysics Data System (ADS)

    Shim, Yunsic; Callahan, Nathan B.; Amar, Jacques G.

    2013-03-01

    We present a method for speeding up temperature-accelerated dynamics (TAD) simulations by carrying out a localized saddle-point (LSAD) search. In this method, instead of using the entire system to determine the energy barriers of activated processes, the calculation is localized by only including a small chunk of atoms around the atoms directly involved in the transition. Using this method, we have obtained N-independent scaling for the computational cost of the saddle-point search as a function of system size N. The error arising from localization is analyzed using a variety of model systems, including a variety of activated processes on Ag(100) and Cu(100) surfaces, as well as multiatom moves in Cu radiation damage and metal heteroepitaxial growth. Our results show significantly improved performance of TAD with the LSAD method, for the case of Ag/Ag(100) annealing and Cu/Cu(100) growth, while maintaining a negligibly small error in energy barriers.

  5. Sampling saddle points on a free energy surface

    NASA Astrophysics Data System (ADS)

    Samanta, Amit; Chen, Ming; Yu, Tang-Qing; Tuckerman, Mark; E, Weinan

    2014-04-01

    Many problems in biology, chemistry, and materials science require knowledge of saddle points on free energy surfaces. These saddle points act as transition states and are the bottlenecks for transitions of the system between different metastable states. For simple systems in which the free energy depends on a few variables, the free energy surface can be precomputed, and saddle points can then be found using existing techniques. For complex systems, where the free energy depends on many degrees of freedom, this is not feasible. In this paper, we develop an algorithm for finding the saddle points on a high-dimensional free energy surface "on-the-fly" without requiring a priori knowledge the free energy function itself. This is done by using the general strategy of the heterogeneous multi-scale method by applying a macro-scale solver, here the gentlest ascent dynamics algorithm, with the needed force and Hessian values computed on-the-fly using a micro-scale model such as molecular dynamics. The algorithm is capable of dealing with problems involving many coarse-grained variables. The utility of the algorithm is illustrated by studying the saddle points associated with (a) the isomerization transition of the alanine dipeptide using two coarse-grained variables, specifically the Ramachandran dihedral angles, and (b) the beta-hairpin structure of the alanine decamer using 20 coarse-grained variables, specifically the full set of Ramachandran angle pairs associated with each residue. For the alanine decamer, we obtain a detailed network showing the connectivity of the minima obtained and the saddle-point structures that connect them, which provides a way to visualize the gross features of the high-dimensional surface.

  6. Analysis of chaotic saddles in a nonlinear vibro-impact system

    NASA Astrophysics Data System (ADS)

    Feng, Jinqian

    2017-07-01

    In this paper, a computational investigation of chaotic saddles in a nonlinear vibro-impact system is presented. For a classical Duffing vibro-impact oscillator, we employ the bisection procedure and an improved stagger-and-step method to present evidence of visual chaotic saddles on the fractal basin boundary and in the internal basin, respectively. The results show that the period saddles play an important role in the evolution of chaotic saddle. The dynamics mechanics of three types of bifurcation such as saddle-node bifurcation, chaotic saddle crisis bifurcation and interior chaotic crisis bifurcation are discussed. The results reveal that the period saddle created at saddle-node bifurcation is responsible for the switch of the internal chaotic saddle to the boundary chaotic saddle. At chaotic saddle crisis bifurcation, a large chaotic saddle can divide into two different chaotic saddle connected by a period saddle. The intersection points between stable and unstable manifolds of this period saddle supply access for chaotic orbits from one chaotic saddle to another and eventually induce the coupling of these two chaotic saddle. Interior chaotic crisis bifurcation is associated with the intersection of stable and unstable manifolds of the period saddle connecting two chaotic invariant sets. In addition, the gaps in chaotic saddle is responsible for the fractal structure.

  7. Saddle point localization of molecular wavefunctions.

    PubMed

    Mellau, Georg Ch; Kyuberis, Alexandra A; Polyansky, Oleg L; Zobov, Nikolai; Field, Robert W

    2016-09-15

    The quantum mechanical description of isomerization is based on bound eigenstates of the molecular potential energy surface. For the near-minimum regions there is a textbook-based relationship between the potential and eigenenergies. Here we show how the saddle point region that connects the two minima is encoded in the eigenstates of the model quartic potential and in the energy levels of the [H, C, N] potential energy surface. We model the spacing of the eigenenergies with the energy dependent classical oscillation frequency decreasing to zero at the saddle point. The eigenstates with the smallest spacing are localized at the saddle point. The analysis of the HCN ↔ HNC isomerization states shows that the eigenstates with small energy spacing relative to the effective (v1, v3, ℓ) bending potentials are highly localized in the bending coordinate at the transition state. These spectroscopically detectable states represent a chemical marker of the transition state in the eigenenergy spectrum. The method developed here provides a basis for modeling characteristic patterns in the eigenenergy spectrum of bound states.

  8. Experimental Study of Saddle Point of Attachment in Laminar Juncture Flow

    NASA Technical Reports Server (NTRS)

    Coon, Michael D.; Tobak, Murray

    1995-01-01

    An experimental study of laminar horseshoe vortex flows upstream of a cylinder/flat plate juncture has been conducted to verify the existence of saddle-point-of-attachment topologies. In the classical depiction of this flowfield, a saddle point of separation exists on the flat plate upstream of the cylinder, and the boundary layer separates from the surface. Recent computations have indicated that the topology may actually involve a saddle point of attachment on the surface and additional singular points in the flow. Laser light sheet flow visualizations have been performed on the symmetry plane and crossflow planes to identify the saddle-point-of-attachment flowfields. The visualizations reveal that saddle-point-of-attachment topologies occur over a range of Reynolds numbers in both single and multiple vortex regimes. An analysis of the flow topologies is presented that describes the existence and evolution of the singular points in the flowfield.

  9. The Sun-Earth saddle point: characterization and opportunities to test general relativity

    NASA Astrophysics Data System (ADS)

    Topputo, Francesco; Dei Tos, Diogene A.; Rasotto, Mirco; Nakamiya, Masaki

    2018-04-01

    The saddle points are locations where the net gravitational accelerations balance. These regions are gathering more attention within the astrophysics community. Regions about the saddle points present clean, close-to-zero background acceleration environments where possible deviations from General Relativity can be tested and quantified. Their location suggests that flying through a saddle point can be accomplished by leveraging highly nonlinear orbits. In this paper, the geometrical and dynamical properties of the Sun-Earth saddle point are characterized. A systematic approach is devised to find ballistic orbits that experience one or multiple passages through this point. A parametric analysis is performed to consider spacecraft initially on L_{1,2} Lagrange point orbits. Sun-Earth saddle point ballistic fly-through trajectories are evaluated and classified for potential use. Results indicate an abundance of short-duration, regular solutions with a variety of characteristics.

  10. Computation of saddle point of attachment

    NASA Technical Reports Server (NTRS)

    Hung, Ching-Mao; Sung, Chao-Ho; Chen, Chung-Lung

    1991-01-01

    Low-speed flows over a cylinder mounted on a flat plate are studied numerically in order to confirm the existence of a saddle point of attachment in the flow before an obstacle, to analyze the flow characteristics near the saddle point theoretically, and to address the significance of the saddle point of attachment to the construction of external flow structures, the interpretation of experimental surface oil-flow patterns, and the theoretical definition of three-dimensional flow separation. Two numerical codes, one for an incompressible flow and another for a compressible flow, are used for various Mach numbers, Reynolds numbers, grid sizes, and numbers of grid points. It is pointed out that the potential presence of a saddle point of attachment means that a line of 'oil accumulation' from both sides of a skin-friction line emanating outward from a saddle point can be either a line of separation or a line of attachment.

  11. A Theoretical Framework for Lagrangian Descriptors

    NASA Astrophysics Data System (ADS)

    Lopesino, C.; Balibrea-Iniesta, F.; García-Garrido, V. J.; Wiggins, S.; Mancho, A. M.

    This paper provides a theoretical background for Lagrangian Descriptors (LDs). The goal of achieving rigorous proofs that justify the ability of LDs to detect invariant manifolds is simplified by introducing an alternative definition for LDs. The definition is stated for n-dimensional systems with general time dependence, however we rigorously prove that this method reveals the stable and unstable manifolds of hyperbolic points in four particular 2D cases: a hyperbolic saddle point for linear autonomous systems, a hyperbolic saddle point for nonlinear autonomous systems, a hyperbolic saddle point for linear nonautonomous systems and a hyperbolic saddle point for nonlinear nonautonomous systems. We also discuss further rigorous results which show the ability of LDs to highlight additional invariants sets, such as n-tori. These results are just a simple extension of the ergodic partition theory which we illustrate by applying this methodology to well-known examples, such as the planar field of the harmonic oscillator and the 3D ABC flow. Finally, we provide a thorough discussion on the requirement of the objectivity (frame-invariance) property for tools designed to reveal phase space structures and their implications for Lagrangian descriptors.

  12. A free boundary approach to the Rosensweig instability of ferrofluids

    NASA Astrophysics Data System (ADS)

    Parini, Enea; Stylianou, Athanasios

    2018-04-01

    We establish the existence of saddle points for a free boundary problem describing the two-dimensional free surface of a ferrofluid undergoing normal field instability. The starting point is the ferrohydrostatic equations for the magnetic potentials in the ferrofluid and air, and the function describing their interface. These constitute the strong form for the Euler-Lagrange equations of a convex-concave functional, which we extend to include interfaces that are not necessarily graphs of functions. Saddle points are then found by iterating the direct method of the calculus of variations and applying classical results of convex analysis. For the existence part, we assume a general nonlinear magnetization law; for a linear law, we also show, via convex duality, that the saddle point is a constrained minimizer of the relevant energy functional.

  13. Gentlest ascent dynamics for calculating first excited state and exploring energy landscape of Kohn-Sham density functionals.

    PubMed

    Li, Chen; Lu, Jianfeng; Yang, Weitao

    2015-12-14

    We develop the gentlest ascent dynamics for Kohn-Sham density functional theory to search for the index-1 saddle points on the energy landscape of the Kohn-Sham density functionals. These stationary solutions correspond to excited states in the ground state functionals. As shown by various examples, the first excited states of many chemical systems are given by these index-1 saddle points. Our novel approach provides an alternative, more robust way to obtain these excited states, compared with the widely used ΔSCF approach. The method can be easily generalized to target higher index saddle points. Our results also reveal the physical interest and relevance of studying the Kohn-Sham energy landscape.

  14. Relative variances of the cadence frequency of cycling under two differential saddle heights

    PubMed Central

    Chang, Wen-Dien; Fan Chiang, Chin-Yun; Lai, Ping-Tung; Lee, Chia-Lun; Fang, Sz-Ming

    2016-01-01

    [Purpose] Bicycle saddle height is a critical factor for cycling performance and injury prevention. The present study compared the variance in cadence frequency after exercise fatigue between saddle heights with 25° and 35° knee flexion. [Methods] Two saddle heights, which were determined by setting the pedal at the bottom dead point with 35° and 25° knee flexion, were used for testing. The relative variances of the cadence frequency were calculated at the end of a 5-minute warm-up period and 5 minutes after inducing exercise fatigue. Comparison of the absolute values of the cadence frequency under the two saddle heights revealed a difference in pedaling efficiency. [Results] Five minutes after inducing exercise fatigue, the relative variances of the cadence frequency for the saddle height with 35° knee flexion was higher than that for the saddle height with 25° knee flexion. [Conclusion] The current finding demonstrated that a saddle height with 25° knee flexion is more appropriate for cyclists than a saddle height with 35° knee flexion. PMID:27065522

  15. Ideal strength of bcc molybdenum and niobium

    NASA Astrophysics Data System (ADS)

    Luo, Weidong; Roundy, D.; Cohen, Marvin L.; Morris, J. W.

    2002-09-01

    The behavior of bcc Mo and Nb under large strain was investigated using the ab initio pseudopotential density-functional method. We calculated the ideal shear strength for the {211}<111> and {011}<111> slip systems and the ideal tensile strength in the <100> direction, which are believed to provide the minimum shear and tensile strengths. As either material is sheared in either of the two systems, it evolves toward a stress-free tetragonal structure that defines a saddle point in the strain-energy surface. The inflection point on the path to this tetragonal ``saddle-point'' structure sets the ideal shear strength. When either material is strained in tension along <100>, it initially follows the tetragonal, ``Bain,'' path toward a stress-free fcc structure. However, before the strained crystal reaches fcc, its symmetry changes from tetragonal to orthorhombic; on continued strain it evolves toward the same tetragonal saddle point that is reached in shear. In Mo, the symmetry break occurs after the point of maximum tensile stress has been passed, so the ideal strength is associated with the fcc extremum as in W. However, a Nb crystal strained in <100> becomes orthorhombic at tensile stress below the ideal strength. The ideal tensile strength of Nb is associated with the tetragonal saddle point and is caused by failure in shear rather than tension. In dimensionless form, the ideal shear and tensile strengths of Mo (τ*=τm/G111=0.12, σ*=σm/E100=0.078) are essentially identical to those previously calculated for W. Nb is anomalous. Its dimensionless shear strength is unusually high, τ*=0.15, even though the saddle-point structure that causes it is similar to that in Mo and W, while its dimensionless tensile strength, σ*=0.079, is almost the same as that of Mo and W, even though the saddle-point structure is quite different.

  16. A new preconditioner update strategy for the solution of sequences of linear systems in structural mechanics: application to saddle point problems in elasticity

    NASA Astrophysics Data System (ADS)

    Mercier, Sylvain; Gratton, Serge; Tardieu, Nicolas; Vasseur, Xavier

    2017-12-01

    Many applications in structural mechanics require the numerical solution of sequences of linear systems typically issued from a finite element discretization of the governing equations on fine meshes. The method of Lagrange multipliers is often used to take into account mechanical constraints. The resulting matrices then exhibit a saddle point structure and the iterative solution of such preconditioned linear systems is considered as challenging. A popular strategy is then to combine preconditioning and deflation to yield an efficient method. We propose an alternative that is applicable to the general case and not only to matrices with a saddle point structure. In this approach, we consider to update an existing algebraic or application-based preconditioner, using specific available information exploiting the knowledge of an approximate invariant subspace or of matrix-vector products. The resulting preconditioner has the form of a limited memory quasi-Newton matrix and requires a small number of linearly independent vectors. Numerical experiments performed on three large-scale applications in elasticity highlight the relevance of the new approach. We show that the proposed method outperforms the deflation method when considering sequences of linear systems with varying matrices.

  17. Euclidean scalar field theory in the bilocal approximation

    NASA Astrophysics Data System (ADS)

    Nagy, S.; Polonyi, J.; Steib, I.

    2018-04-01

    The blocking step of the renormalization group method is usually carried out by restricting it to fluctuations and to local blocked action. The tree-level, bilocal saddle point contribution to the blocking, defined by the infinitesimal decrease of the sharp cutoff in momentum space, is followed within the three dimensional Euclidean ϕ6 model in this work. The phase structure is changed, new phases and relevant operators are found, and certain universality classes are restricted by the bilocal saddle point.

  18. A method to approximate a closest loadability limit using multiple load flow solutions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yorino, Naoto; Harada, Shigemi; Cheng, Haozhong

    A new method is proposed to approximate a closest loadability limit (CLL), or closest saddle node bifurcation point, using a pair of multiple load flow solutions. More strictly, the obtainable points by the method are the stationary points including not only CLL but also farthest and saddle points. An operating solution and a low voltage load flow solution are used to efficiently estimate the node injections at a CLL as well as the left and right eigenvectors corresponding to the zero eigenvalue of the load flow Jacobian. They can be used in monitoring loadability margin, in identification of weak spotsmore » in a power system and in the examination of an optimal control against voltage collapse. Most of the computation time of the proposed method is taken in calculating the load flow solution pair. The remaining computation time is less than that of an ordinary load flow.« less

  19. Generalized Gaussian wave packet dynamics: Integrable and chaotic systems.

    PubMed

    Pal, Harinder; Vyas, Manan; Tomsovic, Steven

    2016-01-01

    The ultimate semiclassical wave packet propagation technique is a complex, time-dependent Wentzel-Kramers-Brillouin method known as generalized Gaussian wave packet dynamics (GGWPD). It requires overcoming many technical difficulties in order to be carried out fully in practice. In its place roughly twenty years ago, linearized wave packet dynamics was generalized to methods that include sets of off-center, real trajectories for both classically integrable and chaotic dynamical systems that completely capture the dynamical transport. The connections between those methods and GGWPD are developed in a way that enables a far more practical implementation of GGWPD. The generally complex saddle-point trajectories at its foundation are found using a multidimensional Newton-Raphson root search method that begins with the set of off-center, real trajectories. This is possible because there is a one-to-one correspondence. The neighboring trajectories associated with each off-center, real trajectory form a path that crosses a unique saddle; there are exceptions that are straightforward to identify. The method is applied to the kicked rotor to demonstrate the accuracy improvement as a function of ℏ that comes with using the saddle-point trajectories.

  20. Simplest bifurcation diagrams for monotone families of vector fields on a torus

    NASA Astrophysics Data System (ADS)

    Baesens, C.; MacKay, R. S.

    2018-06-01

    In part 1, we prove that the bifurcation diagram for a monotone two-parameter family of vector fields on a torus has to be at least as complicated as the conjectured simplest one proposed in Baesens et al (1991 Physica D 49 387–475). To achieve this, we define ‘simplest’ by sequentially minimising the numbers of equilibria, Bogdanov–Takens points, closed curves of centre and of neutral saddle, intersections of curves of centre and neutral saddle, Reeb components, other invariant annuli, arcs of rotational homoclinic bifurcation of horizontal homotopy type, necklace points, contractible periodic orbits, points of neutral horizontal homoclinic bifurcation and half-plane fan points. We obtain two types of simplest case, including that initially proposed. In part 2, we analyse the bifurcation diagram for an explicit monotone family of vector fields on a torus and prove that it has at most two equilibria, precisely four Bogdanov–Takens points, no closed curves of centre nor closed curves of neutral saddle, at most two Reeb components, precisely four arcs of rotational homoclinic connection of ‘horizontal’ homotopy type, eight horizontal saddle-node loop points, two necklace points, four points of neutral horizontal homoclinic connection, and two half-plane fan points, and there is no simultaneous existence of centre and neutral saddle, nor contractible homoclinic connection to a neutral saddle. Furthermore, we prove that all saddle-nodes, Bogdanov–Takens points, non-neutral and neutral horizontal homoclinic bifurcations are non-degenerate and the Hopf condition is satisfied for all centres. We also find it has four points of degenerate Hopf bifurcation. It thus provides an example of a family satisfying all the assumptions of part 1 except the one of at most one contractible periodic orbit.

  1. Tracking coherent structures in massively-separated and turbulent flows

    NASA Astrophysics Data System (ADS)

    Rockwood, Matthew; Huang, Yangzi; Green, Melissa

    2018-01-01

    Coherent vortex structures are tracked in simulations of massively-separated and turbulent flows. Topological Lagrangian saddle points are found using intersections of the positive and negative finite-time Lyapunov exponent ridges, and these points are then followed in order to track individual coherent structure motion both in a complex interacting three-dimensional flow (turbulent channel) and during vortex formation (two-dimensional bluff body shedding). For a simulation of wall-bounded turbulence in a channel flow, tracking Lagrangian saddles shows that the average structure convection speed exhibits a similar trend as a previously published result based on velocity and pressure correlations, giving validity to the method. When this tracking method is applied in a study of a circular cylinder in cross-flow it shows that Lagrangian saddles rapidly accelerate away from the cylinder surface as the vortex sheds. This saddle behavior is compared with the time-resolved static pressure distribution on the circular cylinder, yielding locations on a cylinder surface where common sensors could detect this phenomenon, which is not available from force measurements or vortex circulation calculations. The current method of tracking coherent structures yields insight into the behavior of the coherent structures in both of the diverse flows presented, highlighting the breadth of its potential application.

  2. Integrability and Linearizability of the Lotka-Volterra System with a Saddle Point with Rational Hyperbolicity Ratio

    NASA Astrophysics Data System (ADS)

    Gravel, Simon; Thibault, Pierre

    In this paper, we consider normalizability, integrability and linearizability properties of the Lotka-Volterra system in the neighborhood of a singular point with eigenvalues 1 and - λ. The results are obtained by generalizing and expanding two methods already known: the power expansion of the first integral or of the linearizing transformation and the transformation of the saddle into a node. With these methods we find conditions that are valid for λ∈ R+ or λ∈ Q. These conditions will allow us to find all the integrable and linearizable systems for λ= {p}/{2} and {2}/{p} with p∈ N+.

  3. Electrons at the monkey saddle: A multicritical Lifshitz point

    NASA Astrophysics Data System (ADS)

    Shtyk, A.; Goldstein, G.; Chamon, C.

    2017-01-01

    We consider two-dimensional interacting electrons at a monkey saddle with dispersion ∝px3-3 pxpy2 . Such a dispersion naturally arises at the multicritical Lifshitz point when three Van Hove saddles merge in an elliptical umbilic elementary catastrophe, which we show can be realized in biased bilayer graphene. A multicritical Lifshitz point of this kind can be identified by its signature Landau level behavior Em∝(Bm ) 3 /2 and related oscillations in thermodynamic and transport properties, such as de Haas-Van Alphen and Shubnikov-de Haas oscillations, whose period triples as the system crosses the singularity. We show, in the case of a single monkey saddle, that the noninteracting electron fixed point is unstable to interactions under the renormalization-group flow, developing either a superconducting instability or non-Fermi-liquid features. Biased bilayer graphene, where there are two non-nested monkey saddles at the K and K' points, exhibits an interplay of competing many-body instabilities, namely, s -wave superconductivity, ferromagnetism, and spin- and charge-density waves.

  4. Adaptive Dynamic Programming for Discrete-Time Zero-Sum Games.

    PubMed

    Wei, Qinglai; Liu, Derong; Lin, Qiao; Song, Ruizhuo

    2018-04-01

    In this paper, a novel adaptive dynamic programming (ADP) algorithm, called "iterative zero-sum ADP algorithm," is developed to solve infinite-horizon discrete-time two-player zero-sum games of nonlinear systems. The present iterative zero-sum ADP algorithm permits arbitrary positive semidefinite functions to initialize the upper and lower iterations. A novel convergence analysis is developed to guarantee the upper and lower iterative value functions to converge to the upper and lower optimums, respectively. When the saddle-point equilibrium exists, it is emphasized that both the upper and lower iterative value functions are proved to converge to the optimal solution of the zero-sum game, where the existence criteria of the saddle-point equilibrium are not required. If the saddle-point equilibrium does not exist, the upper and lower optimal performance index functions are obtained, respectively, where the upper and lower performance index functions are proved to be not equivalent. Finally, simulation results and comparisons are shown to illustrate the performance of the present method.

  5. Electrons at the monkey saddle: a multicritical Lifshitz point

    NASA Astrophysics Data System (ADS)

    Shtyk, Alex; Goldstein, Garry; Chamon, Claudio

    We consider 2D interacting electrons at a monkey saddle with dispersion px3 - 3pxpy2 . Such a dispersion naturally arises at the multicritical Lifshitz point when three van Hove saddles merge in an elliptical umbilic elementary catastrophe, which we show can be realized in biased bilayer graphene. A multicritical Lifshitz point of this kind can be identified by its signature Landau level behavior Em (Bm) 3 / 2 and related oscillations in thermodynamic and transport properties, such as de Haas-van Alphen and Shubnikov-de Haas oscillations, whose period triples as the system crosses the singularity. We show, in the case of a single monkey saddle, that the non-interacting electron fixed point is unstable to interactions under the renormalization group flow, developing either a superconducting instability or non-Fermi liquid features. Biased bilayer graphene, where there are two non-nested monkey saddles at the K and K' points, exhibits an interplay of competing many-body instabilities, namely s-wave superconductivity, ferromagnetism, and spin- and charge-density wave. DOE DE-FG02-06ER46316.

  6. Stochastic Formalism for Thermally Driven Distribution Frontier: A Nonempirical Approach to the Potential Escape Problem

    NASA Astrophysics Data System (ADS)

    Akashi, Ryosuke; Nagornov, Yuri S.

    2018-06-01

    We develop a non-empirical scheme to search for the minimum-energy escape paths from the minima of the potential surface to unknown saddle points nearby. A stochastic algorithm is constructed to move the walkers up the surface through the potential valleys. This method employs only the local gradient and diagonal part of the Hessian matrix of the potential. An application to a two-dimensional model potential is presented to demonstrate the successful finding of the paths to the saddle points. The present scheme could serve as a starting point toward first-principles simulation of rare events across the potential basins free from empirical collective variables.

  7. Emphasizing Saddle Points through Game Theory: A Classroom Activity.

    ERIC Educational Resources Information Center

    Dorrington, Jenny; Jones, Michael A.

    2000-01-01

    Introduces the necessary game-theoretic background and explains how game-theoretic experiments of the Matching Pennies game can be used as a classroom activity to develop intuition about saddle points. (Author/ASK)

  8. Composite solvers for linear saddle point problems arising from the incompressible Stokes equations with highly heterogeneous viscosity structure

    NASA Astrophysics Data System (ADS)

    Sanan, P.; Schnepp, S. M.; May, D.; Schenk, O.

    2014-12-01

    Geophysical applications require efficient forward models for non-linear Stokes flow on high resolution spatio-temporal domains. The bottleneck in applying the forward model is solving the linearized, discretized Stokes problem which takes the form of a large, indefinite (saddle point) linear system. Due to the heterogeniety of the effective viscosity in the elliptic operator, devising effective preconditioners for saddle point problems has proven challenging and highly problem-dependent. Nevertheless, at least three approaches show promise for preconditioning these difficult systems in an algorithmically scalable way using multigrid and/or domain decomposition techniques. The first is to work with a hierarchy of coarser or smaller saddle point problems. The second is to use the Schur complement method to decouple and sequentially solve for the pressure and velocity. The third is to use the Schur decomposition to devise preconditioners for the full operator. These involve sub-solves resembling inexact versions of the sequential solve. The choice of approach and sub-methods depends crucially on the motivating physics, the discretization, and available computational resources. Here we examine the performance trade-offs for preconditioning strategies applied to idealized models of mantle convection and lithospheric dynamics, characterized by large viscosity gradients. Due to the arbitrary topological structure of the viscosity field in geodynamical simulations, we utilize low order, inf-sup stable mixed finite element spatial discretizations which are suitable when sharp viscosity variations occur in element interiors. Particular attention is paid to possibilities within the decoupled and approximate Schur complement factorization-based monolithic approaches to leverage recently-developed flexible, communication-avoiding, and communication-hiding Krylov subspace methods in combination with `heavy' smoothers, which require solutions of large per-node sub-problems, well-suited to solution on hybrid computational clusters. To manage the combinatorial explosion of solver options (which include hybridizations of all the approaches mentioned above), we leverage the modularity of the PETSc library.

  9. On the Use of the Main-sequence Knee (Saddle) to Measure Globular Cluster Ages

    NASA Astrophysics Data System (ADS)

    Saracino, S.; Dalessandro, E.; Ferraro, F. R.; Lanzoni, B.; Origlia, L.; Salaris, M.; Pietrinferni, A.; Geisler, D.; Kalirai, J. S.; Correnti, M.; Cohen, R. E.; Mauro, F.; Villanova, S.; Moni Bidin, C.

    2018-06-01

    In this paper, we review the operational definition of the so-called main-sequence knee (MS-knee), a feature in the color-magnitude diagram (CMD) occurring at the low-mass end of the MS. The magnitude of this feature is predicted to be independent of age at fixed chemical composition. For this reason, its difference in magnitude with respect to the MS turn-off (MS-TO) point has been suggested as a possible diagnostic to estimate absolute globular cluster (GC) ages. We first demonstrate that the operational definition of the MS-knee currently adopted in the literature refers to the inflection point of the MS (which we here more appropriately named MS-saddle), a feature that is well distinct from the knee and which cannot be used as its proxy. The MS-knee is only visible in near-infrared CMDs, while the MS-saddle can be also detected in optical–NIR CMDs. By using different sets of isochrones, we then demonstrate that the absolute magnitude of the MS-knee varies by a few tenths of a dex from one model to another, thus showing that at the moment stellar models may not capture the full systematic error in the method. We also demonstrate that while the absolute magnitude of the MS-saddle is almost coincident in different models, it has a systematic dependence on the adopted color combinations which is not predicted by stellar models. Hence, it cannot be used as a reliable reference for absolute age determination. Moreover, when statistical and systematic uncertainties are properly taken into account, the difference in magnitude between the MS-TO and the MS-saddle does not provide absolute ages with better accuracy than other methods like the MS-fitting.

  10. Will an "island" population of voles be recolonized if eradicated? Insights from molecular genetic analyses

    USGS Publications Warehouse

    Miller, Mark P.; Haig, Susan M.; Ledig, David B.; Vander Heyden, Madeleine F.; Bennett, Gregory

    2011-01-01

    We performed genetic analyses of Microtus longicaudus populations within the Crook Point Unit of the Oregon Islands National Wildlife Refuge. A M. longicaudus population at Saddle Rock (located approx. 65 m off-shore from the Crook Point mainland) is suspected to be partially responsible for declines of a Leach's storm-petrel colony at this important nesting site. Using Amplified Fragment Length Polymorphism markers and mitochondrial DNA, we illustrate that Saddle Rock and Crook Point function as separate island and mainland populations despite their close proximity. In addition to genetic structure, we also observed reduced genetic diversity at Saddle Rock, suggesting that little individual movement occurs between populations. If local resource managers decide to perform an eradication at Saddle Rock, we conclude that immediate recolonization of the island by M. longicaudus would be unlikely. Because M. longicaudus is native to Oregon, we also consider the degree with which the differentiation of Saddle Rock signifies the presence of a unique entity that warrants conservation rather than eradication. ?? The Wildlife Society, 2011.

  11. Why do galactic spins flip in the cosmic web? A Theory of Tidal Torques near saddles

    NASA Astrophysics Data System (ADS)

    Pichon, Christophe; Codis, Sandrine; Pogosyan, Dmitry; Dubois, Yohan; Desjacques, Vincent; Devriendt, Julien

    2016-10-01

    Filaments of the cosmic web drive spin acquisition of disc galaxies. The point process of filament-type saddle represent best this environment and can be used to revisit the Tidal Torque Theory in the context of an anisotropic peak (saddle) background split. The constrained misalignment between the tidal tensor and the Hessian of the density field generated in the vicinity of filament saddle points simply explains the corresponding transverse and longitudinal point-reflection symmetric geometry of spin distribution. It predicts in particular an azimuthal orientation of the spins of more massive galaxies and spin alignment with the filament for less massive galaxies. Its scale dependence also allows us to relate the transition mass corresponding to the alignment of dark matter halos' spin relative to the direction of their neighboring filament to this geometry, and to predict accordingly it's scaling with the mass of non linearity, as was measured in simulations.

  12. Two-terminal conductance fluctuations in the integer quantum Hall regime

    NASA Astrophysics Data System (ADS)

    Ho, Chang-Ming

    1999-09-01

    Motivated by recent experiments on the conductance fluctuations in mesoscopic integer quantum Hall systems, we consider a model in which the Coulomb interactions are incorporated into the picture of edge-state transport through a single saddle point. The occupancies of classical localized states in the two-dimensional electron system change due to the interactions between electrons when the gate voltage on top of the device is varied. The electrostatic potential between the localized states and the saddle point causes fluctuations of the saddle-point potential and thus fluctuations of the transmission probability of edge states. This simple model is studied numerically and compared with the observation.

  13. Potential surfaces for O atom-polymer reactions

    NASA Technical Reports Server (NTRS)

    Laskowski, B. C.; Jaffe, R. L.

    1987-01-01

    Ab initio quantum chemistry methods are used to study the energetics of interactions of O atoms with organic compounds. Polyethylene (CH2)n has been chosen as the model system to study the interactions of O(3P) and O(1D) atoms with polymers. In particular, H abstraction is investigated and polyethylene is represented by a C3 (propane) oligomeric model. The gradient method, as implemented in the GRADSCF package of programs, is used to determine the geometries and energies of products and reactants. The saddle point, barrier geometry is determined by minimizing the squares of the gradients of the potential with respect to the internal coordinates. To correctly describe the change in bonding during the reaction at least a two configuration MCSCF (multiconfiguration self consistent field) or GVB (generalized valence bond) wave function has to be used. Basis sets include standard Pople and Dunning sets, however, increased with polarization functions and diffuse p functions on both the C and O atoms. The latter is important due to the O(-) character of the wave function at the saddle point and products. Normal modes and vibrational energy levels are given for the reactants, saddle points and products. Finally, quantitative energetics are obtained by implementing a small CAS (complete active space) approach followed by limited configuration interaction (CI) calculations. Comparisons are made with available experimental data.

  14. A Genealogy of Convex Solids Via Local and Global Bifurcations of Gradient Vector Fields

    NASA Astrophysics Data System (ADS)

    Domokos, Gábor; Holmes, Philip; Lángi, Zsolt

    2016-12-01

    Three-dimensional convex bodies can be classified in terms of the number and stability types of critical points on which they can balance at rest on a horizontal plane. For typical bodies, these are non-degenerate maxima, minima, and saddle points, the numbers of which provide a primary classification. Secondary and tertiary classifications use graphs to describe orbits connecting these critical points in the gradient vector field associated with each body. In previous work, it was shown that these classifications are complete in that no class is empty. Here, we construct 1- and 2-parameter families of convex bodies connecting members of adjacent primary and secondary classes and show that transitions between them can be realized by codimension 1 saddle-node and saddle-saddle (heteroclinic) bifurcations in the gradient vector fields. Our results indicate that all combinatorially possible transitions can be realized in physical shape evolution processes, e.g., by abrasion of sedimentary particles.

  15. Eulerian and Lagrangian methods for vortex tracking in 2D and 3D flows

    NASA Astrophysics Data System (ADS)

    Huang, Yangzi; Green, Melissa

    2014-11-01

    Coherent structures are a key component of unsteady flows in shear layers. Improvement of experimental techniques has led to larger amounts of data and requires of automated procedures for vortex tracking. Many vortex criteria are Eulerian, and identify the structures by an instantaneous local swirling motion in the field, which are indicated by closed or spiral streamlines or pathlines in a reference frame. Alternatively, a Lagrangian Coherent Structures (LCS) analysis is a Lagrangian method based on the quantities calculated along fluid particle trajectories. In the current work, vortex detection is demonstrated on data from the simulation of two cases: a 2D flow with a flat plate undergoing a 45 ° pitch-up maneuver and a 3D wall-bounded turbulence channel flow. Vortices are visualized and tracked by their centers and boundaries using Γ1, the Q criterion, and LCS saddle points. In the cases of 2D flow, saddle points trace showed a rapid acceleration of the structure which indicates the shedding from the plate. For channel flow, saddle points trace shows that average structure convection speed exhibits a similar trend as a function of wall-normal distance as the mean velocity profile, and leads to statistical quantities of vortex dynamics. Dr. Jeff Eldredge and his research group at UCLA are gratefully acknowledged for sharing the database of simulation for the current research. This work was supported by the Air Force Office of Scientific Research under AFOSR Award No. FA9550-14-1-0210.

  16. Parallel Element Agglomeration Algebraic Multigrid and Upscaling Library

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Barker, Andrew T.; Benson, Thomas R.; Lee, Chak Shing

    ParELAG is a parallel C++ library for numerical upscaling of finite element discretizations and element-based algebraic multigrid solvers. It provides optimal complexity algorithms to build multilevel hierarchies and solvers that can be used for solving a wide class of partial differential equations (elliptic, hyperbolic, saddle point problems) on general unstructured meshes. Additionally, a novel multilevel solver for saddle point problems with divergence constraint is implemented.

  17. Using Gaussian windows to explore a multivariate data set

    NASA Technical Reports Server (NTRS)

    Jaeckel, Louis A.

    1991-01-01

    In an earlier paper, I recounted an exploratory analysis, using Gaussian windows, of a data set derived from the Infrared Astronomical Satellite. Here, my goals are to develop strategies for finding structural features in a data set in a many-dimensional space, and to find ways to describe the shape of such a data set. After a brief review of Gaussian windows, I describe the current implementation of the method. I give some ways of describing features that we might find in the data, such as clusters and saddle points, and also extended structures such as a 'bar', which is an essentially one-dimensional concentration of data points. I then define a distance function, which I use to determine which data points are 'associated' with a feature. Data points not associated with any feature are called 'outliers'. I then explore the data set, giving the strategies that I used and quantitative descriptions of the features that I found, including clusters, bars, and a saddle point. I tried to use strategies and procedures that could, in principle, be used in any number of dimensions.

  18. A scalable block-preconditioning strategy for divergence-conforming B-spline discretizations of the Stokes problem

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Cortes, Adriano M.; Dalcin, Lisandro; Sarmiento, Adel F.

    The recently introduced divergence-conforming B-spline discretizations allow the construction of smooth discrete velocity–pressure pairs for viscous incompressible flows that are at the same time inf–sup stable and pointwise divergence-free. When applied to the discretized Stokes problem, these spaces generate a symmetric and indefinite saddle-point linear system. The iterative method of choice to solve such system is the Generalized Minimum Residual Method. This method lacks robustness, and one remedy is to use preconditioners. For linear systems of saddle-point type, a large family of preconditioners can be obtained by using a block factorization of the system. In this paper, we show howmore » the nesting of “black-box” solvers and preconditioners can be put together in a block triangular strategy to build a scalable block preconditioner for the Stokes system discretized by divergence-conforming B-splines. Lastly, besides the known cavity flow problem, we used for benchmark flows defined on complex geometries: an eccentric annulus and hollow torus of an eccentric annular cross-section.« less

  19. A scalable block-preconditioning strategy for divergence-conforming B-spline discretizations of the Stokes problem

    DOE PAGES

    Cortes, Adriano M.; Dalcin, Lisandro; Sarmiento, Adel F.; ...

    2016-10-19

    The recently introduced divergence-conforming B-spline discretizations allow the construction of smooth discrete velocity–pressure pairs for viscous incompressible flows that are at the same time inf–sup stable and pointwise divergence-free. When applied to the discretized Stokes problem, these spaces generate a symmetric and indefinite saddle-point linear system. The iterative method of choice to solve such system is the Generalized Minimum Residual Method. This method lacks robustness, and one remedy is to use preconditioners. For linear systems of saddle-point type, a large family of preconditioners can be obtained by using a block factorization of the system. In this paper, we show howmore » the nesting of “black-box” solvers and preconditioners can be put together in a block triangular strategy to build a scalable block preconditioner for the Stokes system discretized by divergence-conforming B-splines. Lastly, besides the known cavity flow problem, we used for benchmark flows defined on complex geometries: an eccentric annulus and hollow torus of an eccentric annular cross-section.« less

  20. Model reduction method using variable-separation for stochastic saddle point problems

    NASA Astrophysics Data System (ADS)

    Jiang, Lijian; Li, Qiuqi

    2018-02-01

    In this paper, we consider a variable-separation (VS) method to solve the stochastic saddle point (SSP) problems. The VS method is applied to obtain the solution in tensor product structure for stochastic partial differential equations (SPDEs) in a mixed formulation. The aim of such a technique is to construct a reduced basis approximation of the solution of the SSP problems. The VS method attempts to get a low rank separated representation of the solution for SSP in a systematic enrichment manner. No iteration is performed at each enrichment step. In order to satisfy the inf-sup condition in the mixed formulation, we enrich the separated terms for the primal system variable at each enrichment step. For the SSP problems by regularization or penalty, we propose a more efficient variable-separation (VS) method, i.e., the variable-separation by penalty method. This can avoid further enrichment of the separated terms in the original mixed formulation. The computation of the variable-separation method decomposes into offline phase and online phase. Sparse low rank tensor approximation method is used to significantly improve the online computation efficiency when the number of separated terms is large. For the applications of SSP problems, we present three numerical examples to illustrate the performance of the proposed methods.

  1. Saddles and dynamics in a solvable mean-field model

    NASA Astrophysics Data System (ADS)

    Angelani, L.; Ruocco, G.; Zamponi, F.

    2003-05-01

    We use the saddle-approach, recently introduced in the numerical investigation of simple model liquids, in the analysis of a mean-field solvable system. The investigated system is the k-trigonometric model, a k-body interaction mean field system, that generalizes the trigonometric model introduced by Madan and Keyes [J. Chem. Phys. 98, 3342 (1993)] and that has been recently introduced to investigate the relationship between thermodynamics and topology of the configuration space. We find a close relationship between the properties of saddles (stationary points of the potential energy surface) visited by the system and the dynamics. In particular the temperature dependence of saddle order follows that of the diffusivity, both having an Arrhenius behavior at low temperature and a similar shape in the whole temperature range. Our results confirm the general usefulness of the saddle-approach in the interpretation of dynamical processes taking place in interacting systems.

  2. Application of the string method to the study of critical nuclei in capillary condensation.

    PubMed

    Qiu, Chunyin; Qian, Tiezheng; Ren, Weiqing

    2008-10-21

    We adopt a continuum description for liquid-vapor phase transition in the framework of mean-field theory and use the string method to numerically investigate the critical nuclei for capillary condensation in a slit pore. This numerical approach allows us to determine the critical nuclei corresponding to saddle points of the grand potential function in which the chemical potential is given in the beginning. The string method locates the minimal energy path (MEP), which is the most probable transition pathway connecting two metastable/stable states in configuration space. From the MEP, the saddle point is determined and the corresponding energy barrier also obtained (for grand potential). Moreover, the MEP shows how the new phase (liquid) grows out of the old phase (vapor) along the most probable transition pathway, from the birth of a critical nucleus to its consequent expansion. Our calculations run from partial wetting to complete wetting with a variable strength of attractive wall potential. In the latter case, the string method presents a unified way for computing the critical nuclei, from film formation at solid surface to bulk condensation via liquid bridge. The present application of the string method to the numerical study of capillary condensation shows the great power of this method in evaluating the critical nuclei in various liquid-vapor phase transitions.

  3. Hessian eigenvalue distribution in a random Gaussian landscape

    NASA Astrophysics Data System (ADS)

    Yamada, Masaki; Vilenkin, Alexander

    2018-03-01

    The energy landscape of multiverse cosmology is often modeled by a multi-dimensional random Gaussian potential. The physical predictions of such models crucially depend on the eigenvalue distribution of the Hessian matrix at potential minima. In particular, the stability of vacua and the dynamics of slow-roll inflation are sensitive to the magnitude of the smallest eigenvalues. The Hessian eigenvalue distribution has been studied earlier, using the saddle point approximation, in the leading order of 1/ N expansion, where N is the dimensionality of the landscape. This approximation, however, is insufficient for the small eigenvalue end of the spectrum, where sub-leading terms play a significant role. We extend the saddle point method to account for the sub-leading contributions. We also develop a new approach, where the eigenvalue distribution is found as an equilibrium distribution at the endpoint of a stochastic process (Dyson Brownian motion). The results of the two approaches are consistent in cases where both methods are applicable. We discuss the implications of our results for vacuum stability and slow-roll inflation in the landscape.

  4. The Spiral of Life

    NASA Astrophysics Data System (ADS)

    Cajiao Vélez, F.; Kamiński, J. Z.; Krajewska, K.

    2018-04-01

    High-energy photoionization driven by short and circularly-polarized laser pulses is studied in the framework of the relativistic strong-field approximation. The saddle-point analysis of the integrals defining the probability amplitude is used to determine the general properties of the probability distributions. Additionally, an approximate solution to the saddle-point equation is derived. This leads to the concept of the three-dimensional spiral of life in momentum space, around which the ionization probability distribution is maximum. We demonstrate that such spiral is also obtained from a classical treatment.

  5. Higher rank ABJM Wilson loops from matrix models

    DOE PAGES

    Cookmeyer, Jonathan; Liu, James T.; Pando Zayas, Leopoldo A.

    2016-11-21

    We compute the vacuum expectation values of 1/6 supersymmetric Wilson loops in higher dimensional representations of the gauge group in ABJM theory. We then present results for the m-symmetric and m-antisymmetric representations by exploiting standard matrix model techniques. At leading order, in the saddle point approximation, our expressions reproduce holographic results from both D6 and D2 branes corresponding to the antisymmetric and symmetric representations, respectively. We also compute 1/N corrections to the leading saddle point results.

  6. Differential games.

    NASA Technical Reports Server (NTRS)

    Varaiya, P. P.

    1972-01-01

    General discussion of the theory of differential games with two players and zero sum. Games starting at a fixed initial state and ending at a fixed final time are analyzed. Strategies for the games are defined. The existence of saddle values and saddle points is considered. A stochastic version of a differential game is used to examine the synthesis problem.

  7. Gas-Phase Reaction Pathways and Rate Coefficients for the Dichlorosilane-Hydrogen and Trichlorosilane-Hydrogen Systems

    NASA Technical Reports Server (NTRS)

    Dateo, Christopher E.; Walch, Stephen P.

    2002-01-01

    As part of NASA Ames Research Center's Integrated Process Team on Device/Process Modeling and Nanotechnology our goal is to create/contribute to a gas-phase chemical database for use in modeling microelectronics devices. In particular, we use ab initio methods to determine chemical reaction pathways and to evaluate reaction rate coefficients. Our initial studies concern reactions involved in the dichlorosilane-hydrogen (SiCl2H2--H2) and trichlorosilane-hydrogen (SiCl2H-H2) systems. Reactant, saddle point (transition state), and product geometries and their vibrational harmonic frequencies are determined using the complete-active-space self-consistent-field (CASSCF) electronic structure method with the correlation consistent polarized valence double-zeta basis set (cc-pVDZ). Reaction pathways are constructed by following the imaginary frequency mode of the saddle point to both the reactant and product. Accurate energetics are determined using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations (CCSD(T)) extrapolated to the complete basis set limit. Using the data from the electronic structure calculations, reaction rate coefficients are obtained using conventional and variational transition state and RRKM theories.

  8. Women’s bike seats: a pressing matter for competitive female cyclists

    PubMed Central

    Guess, Marsha K.; Partin, Sarah N.; Schrader, Steven; Lowe, Brian; LaCombe, Julie; Reutman, Susan; Wang, Andrea; Toennis, Christine; Melman, Arnold; Mikhail, Madgy; Connell, Kathleen A.

    2011-01-01

    Introduction There are numerous genital complaints in women cyclists, including pain, numbness and edema of pelvic floor structures. Debate ensues about the best saddle design for protection of the pelvic floor. Aim To investigate the relationships between saddle design, seat pressures and genital nerve function in female, competitive cyclists. Methods We previously compared genital sensation in healthy, premenopausal, competitive women bicyclists and runners. The 48 cyclists from our original study comprise the study group in this sub-analysis. Main Outcome Measures (1) Genital vibratory thresholds (VT) were determined using the Medoc Vibratory Sensation Analyzer 3000. (2) Saddle pressures as determined using a specially designed map sensor. Results More than half of the participants (54.8%) used traditional saddles and the remainder (45.2%), rode with cut-out saddles. On bivariate analysis, use of traditional saddles was associated with lower mean perineal saddle pressures (MPSP) than riding on cut-out saddles. Peak perineal saddle pressures (PPSP) were also lower; however, the difference did not reach statistical significance. Saddle design did not affect mean or peak total saddle pressures (MTSP, PTSP). Saddle width was significantly associated with PPSP, MTSP and PTSP, but not with MPSP. Women riding cut-out saddles had, on average, a 4 and 11 kPa increase in MPSP and PPSP, respectively, compared to women using traditional saddles (p= 0.008 and p= 0.010), after adjustment for other variables. Use of wider saddles was associated with lower PPSP and MTSP after adjustment. Although an inverse correlation was seen between saddle pressures and VTs on bivariate analysis, these differences were not significant after adjusting for age. Conclusion Cut-out and narrower saddles negatively affect saddle pressures in female cyclists. Effects of saddle design on pudendal nerve sensory function were not apparent in this cross-sectional analysis. Longitudinal studies evaluating the long-term effects of saddle pressure on the integrity of the pudendal nerve, pelvic floor and sexual function are warranted. PMID:21834869

  9. Simulation of adsorbed hydrogen on tungsten surface

    NASA Astrophysics Data System (ADS)

    Degtyarenko, N. N.; Pisarev, A. A.

    2017-12-01

    Calculations of the energy of the H-W system were performed using DFT method based on plane waves. Adsorption energies, equilibrium states, vibration spectra, saddle points, activation energies of jumps, and diffusion paths have been analyzed for H atom on W(100) and W(110). Diffusion coefficient for H on W(110) agrees very well with experimental data.

  10. Minimizing Higgs potentials via numerical polynomial homotopy continuation

    NASA Astrophysics Data System (ADS)

    Maniatis, M.; Mehta, D.

    2012-08-01

    The study of models with extended Higgs sectors requires to minimize the corresponding Higgs potentials, which is in general very difficult. Here, we apply a recently developed method, called numerical polynomial homotopy continuation (NPHC), which guarantees to find all the stationary points of the Higgs potentials with polynomial-like non-linearity. The detection of all stationary points reveals the structure of the potential with maxima, metastable minima, saddle points besides the global minimum. We apply the NPHC method to the most general Higgs potential having two complex Higgs-boson doublets and up to five real Higgs-boson singlets. Moreover the method is applicable to even more involved potentials. Hence the NPHC method allows to go far beyond the limits of the Gröbner basis approach.

  11. Above Saddle-Point Regions of Order in a Sea of Chaos in the Vibrational Dynamics of KCN.

    PubMed

    Párraga, H; Arranz, F J; Benito, R M; Borondo, F

    2018-04-05

    The dynamical characteristics of a region of regular vibrational motion in the sea of chaos above the saddle point corresponding to the linear C-N-K configuration is examined in detail. To explain the origin of this regularity, the associated phase space structures were characterized using suitably defined Poincaré surfaces of section, identifying the different resonances between the stretching and bending modes, as a function of excitation energy. The corresponding topology is elucidated by means of periodic orbit analysis.

  12. A Class of Solvable Stopping Games

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Alvarez, Luis H. R.

    We consider a class of Dynkin games in the case where the underlying process evolves according to a one-dimensional but otherwise general diffusion. We establish general conditions under which both the value and the saddle point equilibrium exist and under which the exercise boundaries characterizing the saddle point strategy can be explicitly characterized in terms of a pair of standard first order necessary conditions for optimality. We also analyze those cases where an extremal pair of boundaries exists and investigate the overall impact of increased volatility on the equilibrium stopping strategies and their values.

  13. Solar Coronal Loop Dynamics Near the Null Point Above Active Region NOAA 2666

    NASA Astrophysics Data System (ADS)

    Filippov, B.

    2018-06-01

    We analyse observations of a saddle-like structure in the corona above the western limb of the Sun on 2017 July 18. The structure was clearly outlined by coronal loops with typical coronal temperature no more than 1 MK. The dynamics of loops showed convergence towards the centre of the saddle in the vertical direction and divergence in the horizontal direction. The event is a clear example of smooth coronal magnetic field reconnection. No heating manifestations in the reconnection region or magnetically connected areas were observed. Potential magnetic field calculations, which use as the boundary condition the SDO/HMI magnetogram taken on July 14, showed the presence of a null point at the height of 122 arcsec above the photosphere just at the centre of the saddle structure. The shape of field lines fits the fan-spine magnetic configuration above NOAA 2666.

  14. Phase-plane analysis to an “anisotropic” higher-order traffic flow model

    NASA Astrophysics Data System (ADS)

    Wu, Chun-Xiu

    2018-04-01

    The qualitative theory of differential equations is applied to investigate the traveling wave solution to an “anisotropic” higher-order viscous traffic flow model under the Lagrange coordinate system. The types and stabilities of the equilibrium points are discussed in the phase plane. Through the numerical simulation, the overall distribution structures of trajectories are drawn to analyze the relation between the phase diagram and the selected conservative solution variables, and the influences of the parameters on the system are studied. The limit-circle, limit circle-spiral point, saddle-spiral point and saddle-nodal point solutions are obtained. These steady-state solutions provide good explanation for the phenomena of the oscillatory and homogeneous congestions in real-world traffic.

  15. Apparatuses to support photovoltaic modules

    DOEpatents

    Ciasulli, John; Jones, Jason

    2017-08-22

    Methods and apparatuses to support photovoltaic ("PV") modules are described. A saddle bracket has a mounting surface to support one or more PV modules over a tube, a gusset coupled to the mounting surface, and a mounting feature coupled to the gusset to couple to the tube. A grounding washer has a first portion to couple to a support; and a second portion coupled to the first portion to provide a ground path to a PV module. A PV system has a saddle bracket; a PV module over the saddle bracket; and a grounding washer coupled to the saddle bracket and the PV module. Saddle brackets can be coupled to a torque tube at predetermined locations. PV modules can be coupled to the saddle brackets.

  16. Friedel oscillation near a van Hove singularity in two-dimensional Dirac materials

    NASA Astrophysics Data System (ADS)

    Lu, Chi-Ken

    2016-02-01

    We consider Friedel oscillation in the two-dimensional Dirac materials when the Fermi level is near the van Hove singularity. Twisted graphene bilayer and the surface state of topological crystalline insulator are the representative materials which show low-energy saddle points that are feasible to probe by gating. We approximate the Fermi surface near saddle point with a hyperbola and calculate the static Lindhard response function. Employing a theorem of Lighthill, the induced charge density δ n due to an impurity is obtained and the algebraic decay of δ n is determined by the singularity of the static response function. Although a hyperbolic Fermi surface is rather different from a circular one, the static Lindhard response function in the present case shows a singularity similar with the response function associated with circular Fermi surface, which leads to the δ n\\propto {{R}-2} at large distance R. The dependences of charge density on the Fermi energy are different. Consequently, it is possible to observe in twisted graphene bilayer the evolution that δ n\\propto {{R}-3} near Dirac point changes to δ n\\propto {{R}-2} above the saddle point. Measurements using scanning tunnelling microscopy around the impurity sites could verify the prediction.

  17. Multi-scaling in the critical phenomena in the quenched disordered systems

    NASA Astrophysics Data System (ADS)

    Wu, X. T.

    2018-04-01

    The Landau-Ginzburg-Wilson Hamiltonian with random temperature for the phase transition in disordered systems from the Griffiths phase to ordered phase is reexamined. From the saddle point solutions, especially the excited state solutions, it is shown that the system self-organizes into blocks coupled with their neighbors like superspins, which are emergent variables. Taking the fluctuation around these saddle point solutions into account, we get an effective Hamiltonian, including the emergent superspins of the blocks, the fluctuation around the saddle point solutions, and their couplings. Applying Stratonovich-Hubbard transformation to the part of superspins, we get a Landau-Ginzburg-Wilson Hamiltonian for the blocks. From the saddle point equations for the blocks, we can get the second generation blocks, of which sizes are much larger than the first generation blocks. Repeating this procedure again and again, we get many generations of blocks to describe the asymptotic behavior. If a field is applied, the effective field on the superspins is multiplied greatly and proportional to the block size. For a very small field, the effective field on the higher generation superspins can be so strong to cause the superspins polarized radically. This can explain the extra large critical isotherm exponent discovered in the experiments. The phase space of reduced temperature vs. field is divided into many layers , in which different generation blocks dominate the critical behavior. The sizes of the different generation emergent blocks are new relevant length scales. This can explain a lot of puzzles in the experiments and the Monte Carlo simulation.

  18. A hierarchical transition state search algorithm

    NASA Astrophysics Data System (ADS)

    del Campo, Jorge M.; Köster, Andreas M.

    2008-07-01

    A hierarchical transition state search algorithm is developed and its implementation in the density functional theory program deMon2k is described. This search algorithm combines the double ended saddle interpolation method with local uphill trust region optimization. A new formalism for the incorporation of the distance constrain in the saddle interpolation method is derived. The similarities between the constrained optimizations in the local trust region method and the saddle interpolation are highlighted. The saddle interpolation and local uphill trust region optimizations are validated on a test set of 28 representative reactions. The hierarchical transition state search algorithm is applied to an intramolecular Diels-Alder reaction with several internal rotors, which makes automatic transition state search rather challenging. The obtained reaction mechanism is discussed in the context of the experimentally observed product distribution.

  19. Tunneling and reflection in unimolecular reaction kinetic energy release distributions

    NASA Astrophysics Data System (ADS)

    Hansen, K.

    2018-02-01

    The kinetic energy release distributions in unimolecular reactions is calculated with detailed balance theory, taking into account the tunneling and the reflection coefficient in three different types of transition states; (i) a saddle point corresponding to a standard RRKM-type theory, (ii) an attachment Langevin cross section, and (iii) an absorbing sphere potential at short range, without long range interactions. Corrections are significant in the one dimensional saddle point states. Very light and lightly bound absorbing systems will show measurable effects in decays from the absorbing sphere, whereas the Langevin cross section is essentially unchanged.

  20. An adaptive finite element method for the inequality-constrained Reynolds equation

    NASA Astrophysics Data System (ADS)

    Gustafsson, Tom; Rajagopal, Kumbakonam R.; Stenberg, Rolf; Videman, Juha

    2018-07-01

    We present a stabilized finite element method for the numerical solution of cavitation in lubrication, modeled as an inequality-constrained Reynolds equation. The cavitation model is written as a variable coefficient saddle-point problem and approximated by a residual-based stabilized method. Based on our recent results on the classical obstacle problem, we present optimal a priori estimates and derive novel a posteriori error estimators. The method is implemented as a Nitsche-type finite element technique and shown in numerical computations to be superior to the usually applied penalty methods.

  1. A least-squares finite element method for incompressible Navier-Stokes problems

    NASA Technical Reports Server (NTRS)

    Jiang, Bo-Nan

    1992-01-01

    A least-squares finite element method, based on the velocity-pressure-vorticity formulation, is developed for solving steady incompressible Navier-Stokes problems. This method leads to a minimization problem rather than to a saddle-point problem by the classic mixed method and can thus accommodate equal-order interpolations. This method has no parameter to tune. The associated algebraic system is symmetric, and positive definite. Numerical results for the cavity flow at Reynolds number up to 10,000 and the backward-facing step flow at Reynolds number up to 900 are presented.

  2. Isolating intrinsic noise sources in a stochastic genetic switch.

    PubMed

    Newby, Jay M

    2012-01-01

    The stochastic mutual repressor model is analysed using perturbation methods. This simple model of a gene circuit consists of two genes and three promotor states. Either of the two protein products can dimerize, forming a repressor molecule that binds to the promotor of the other gene. When the repressor is bound to a promotor, the corresponding gene is not transcribed and no protein is produced. Either one of the promotors can be repressed at any given time or both can be unrepressed, leaving three possible promotor states. This model is analysed in its bistable regime in which the deterministic limit exhibits two stable fixed points and an unstable saddle, and the case of small noise is considered. On small timescales, the stochastic process fluctuates near one of the stable fixed points, and on large timescales, a metastable transition can occur, where fluctuations drive the system past the unstable saddle to the other stable fixed point. To explore how different intrinsic noise sources affect these transitions, fluctuations in protein production and degradation are eliminated, leaving fluctuations in the promotor state as the only source of noise in the system. The process without protein noise is then compared to the process with weak protein noise using perturbation methods and Monte Carlo simulations. It is found that some significant differences in the random process emerge when the intrinsic noise source is removed.

  3. Treatment outcomes of saddle nose correction.

    PubMed

    Hyun, Sang Min; Jang, Yong Ju

    2013-01-01

    Many valuable classification schemes for saddle nose have been suggested that integrate clinical deformity and treatment; however, there is no consensus regarding the most suitable classification and surgical method for saddle nose correction. To present clinical characteristics and treatment outcome of saddle nose deformity and to propose a modified classification system to better characterize the variety of different saddle nose deformities. The retrospective study included 91 patients who underwent rhinoplasty for correction of saddle nose from April 1, 2003, through December 31, 2011, with a minimum follow-up of 8 months. Saddle nose was classified into 4 types according to a modified classification. Aesthetic outcomes were classified as excellent, good, fair, or poor. Patients underwent minor cosmetic concealment by dorsal augmentation (n = 8) or major septal reconstruction combined with dorsal augmentation (n = 83). Autologous costal cartilages were used in 40 patients (44%), and homologous costal cartilages were used in 5 patients (6%). According to postoperative assessment, 29 patients had excellent, 42 patients had good, 18 patients had fair, and 2 patients had poor aesthetic outcomes. No statistical difference in surgical outcome according to saddle nose classification was observed. Eight patients underwent revision rhinoplasty, owing to recurrence of saddle, wound infection, or warping of the costal cartilage for dorsal augmentation. We introduce a modified saddle nose classification scheme that is simpler and better able to characterize different deformities. Among 91 patients with saddle nose, 20 (22%) had unsuccessful outcomes (fair or poor) and 8 (9%) underwent subsequent revision rhinoplasty. Thus, management of saddle nose deformities remains challenging. 4.

  4. A simple finite element method for the Stokes equations

    DOE PAGES

    Mu, Lin; Ye, Xiu

    2017-03-21

    The goal of this paper is to introduce a simple finite element method to solve the Stokes equations. This method is in primal velocity-pressure formulation and is so simple such that both velocity and pressure are approximated by piecewise constant functions. Implementation issues as well as error analysis are investigated. A basis for a divergence free subspace of the velocity field is constructed so that the original saddle point problem can be reduced to a symmetric and positive definite system with much fewer unknowns. The numerical experiments indicate that the method is accurate.

  5. A simple finite element method for the Stokes equations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mu, Lin; Ye, Xiu

    The goal of this paper is to introduce a simple finite element method to solve the Stokes equations. This method is in primal velocity-pressure formulation and is so simple such that both velocity and pressure are approximated by piecewise constant functions. Implementation issues as well as error analysis are investigated. A basis for a divergence free subspace of the velocity field is constructed so that the original saddle point problem can be reduced to a symmetric and positive definite system with much fewer unknowns. The numerical experiments indicate that the method is accurate.

  6. The Geometry of Quadratic Polynomial Differential Systems with a Finite and an Infinite Saddle-Node (C)

    NASA Astrophysics Data System (ADS)

    Artés, Joan C.; Rezende, Alex C.; Oliveira, Regilene D. S.

    Planar quadratic differential systems occur in many areas of applied mathematics. Although more than one thousand papers have been written on these systems, a complete understanding of this family is still missing. Classical problems, and in particular, Hilbert's 16th problem [Hilbert, 1900, 1902], are still open for this family. Our goal is to make a global study of the family QsnSN of all real quadratic polynomial differential systems which have a finite semi-elemental saddle-node and an infinite saddle-node formed by the collision of two infinite singular points. This family can be divided into three different subfamilies, all of them with the finite saddle-node in the origin of the plane with the eigenvectors on the axes and with the eigenvector associated with the zero eigenvalue on the horizontal axis and (A) with the infinite saddle-node in the horizontal axis, (B) with the infinite saddle-node in the vertical axis and (C) with the infinite saddle-node in the bisector of the first and third quadrants. These three subfamilies modulo the action of the affine group and time homotheties are three-dimensional and we give the bifurcation diagram of their closure with respect to specific normal forms, in the three-dimensional real projective space. The subfamilies (A) and (B) have already been studied [Artés et al., 2013b] and in this paper we provide the complete study of the geometry of the last family (C). The bifurcation diagram for the subfamily (C) yields 371 topologically distinct phase portraits with and without limit cycles for systems in the closure /line{QsnSN(C)} within the representatives of QsnSN(C) given by a chosen normal form. Algebraic invariants are used to construct the bifurcation set. The phase portraits are represented on the Poincaré disk. The bifurcation set of /line{QsnSN(C)} is not only algebraic due to the presence of some surfaces found numerically. All points in these surfaces correspond to either connections of separatrices, or the presence of a double limit cycle.

  7. High pressure hydrogen stabilised by quantum nuclear motion

    NASA Astrophysics Data System (ADS)

    Needs, Richard; Monserrat, Bartomeu; Pickard, Chris

    Hydrogen under extreme pressures is of fundamental interest, as it might exhibit exotic physical phenomena, and of practical interest, as it is a major component of many astrophysical objects. Structure searches have been successful at identifying promising candidates for the known phases of high pressure hydrogen. However, these searches have so far been restricted to the location of minima of the potential energy landscape. In this talk, we will describe a new structure searching method, ``saddle-point ab initio random structure searching'' (sp-AIRSS), that allows us to identify structures associated with saddle points of the potential energy landscape. Using sp-AIRSS, we find two new high-pressure hydrogen structures that exhibit a harmonic dynamical instability, but quantum and thermal anharmonic motion render them dynamically stable. These structures are formed by mixed layers of strongly and softly bound hydrogen molecules, and become thermodynamically competitive at the highest pressures reached in experiment. The experimental implications of these new structures will also be discussed. BM is supported by Robinson College, Cambridge, and the Cambridge Philosophical Society. RJN and CJP are supported by the Engineering and Physical Sciences Research Council (EPSRC) of the UK.

  8. Basin stability measure of different steady states in coupled oscillators

    NASA Astrophysics Data System (ADS)

    Rakshit, Sarbendu; Bera, Bidesh K.; Majhi, Soumen; Hens, Chittaranjan; Ghosh, Dibakar

    2017-04-01

    In this report, we investigate the stabilization of saddle fixed points in coupled oscillators where individual oscillators exhibit the saddle fixed points. The coupled oscillators may have two structurally different types of suppressed states, namely amplitude death and oscillation death. The stabilization of saddle equilibrium point refers to the amplitude death state where oscillations are ceased and all the oscillators converge to the single stable steady state via inverse pitchfork bifurcation. Due to multistability features of oscillation death states, linear stability theory fails to analyze the stability of such states analytically, so we quantify all the states by basin stability measurement which is an universal nonlocal nonlinear concept and it interplays with the volume of basins of attractions. We also observe multi-clustered oscillation death states in a random network and measure them using basin stability framework. To explore such phenomena we choose a network of coupled Duffing-Holmes and Lorenz oscillators which are interacting through mean-field coupling. We investigate how basin stability for different steady states depends on mean-field density and coupling strength. We also analytically derive stability conditions for different steady states and confirm by rigorous bifurcation analysis.

  9. Intermediate states and structure evolution in the free-falling process of the dislocation in graphene

    NASA Astrophysics Data System (ADS)

    Wang, Shaofeng; Yao, Yin; Bai, Jianhui; Wang, Rui

    2017-04-01

    This paper investigated the intermediate states and the structure evolution of the dislocation in graphene when it falls freely from the saddle point of the energy landscape. The O-type dislocation, an unstable equilibrium structure located at the saddle point, is obtained from the lattice theory of the dislocation structure and improved by the ab initio calculation to take the buckling into account. Intermediate states along the kinetics path in the falling process are obtained from the ab initio simulation. Once the dislocation falls from the saddle point to the energy valley, this O-type dislocation transforms into the stable structure that is referred to as the B-type dislocation, and in the meantime, it moves a distance that equals half a Burgers vector. The structure evolution and the energy variation in the free-falling process are revealed explicitly. It is observed that rather than smooth change, a platform manifests itself in the energy curve. The unusual behaviour in the energy curve is mainly originated from symmetry breaking and bond formation in the dislocation core. The results can provide deep insight in the mechanism of the brittle feature of covalent materials.

  10. Density Functional Theory Calculations of the Dissociation of H[2] on (100) 2H-MoS[2] Surfaces: A Key Step in the Hydroprocessing of Crude Oil

    ERIC Educational Resources Information Center

    Todorova, Teodora; Alexiev, Valentin; Weber, Thomas

    2006-01-01

    Hydrogen activation on the (100) surface of MoS[2] structures was investigated by means of density functional theory calculations. Linear and quadratic synchronous transit methods with a conjugate gradient refinement of the saddle point were used to localize transition states. The calculations include heterolytic and homolytic dissociation of…

  11. Transient spatiotemporal chaos in the Morris-Lecar neuronal ring network.

    PubMed

    Keplinger, Keegan; Wackerbauer, Renate

    2014-03-01

    Transient behavior is thought to play an integral role in brain functionality. Numerical simulations of the firing activity of diffusively coupled, excitable Morris-Lecar neurons reveal transient spatiotemporal chaos in the parameter regime below the saddle-node on invariant circle bifurcation point. The neighborhood of the chaotic saddle is reached through perturbations of the rest state, in which few initially active neurons at an effective spatial distance can initiate spatiotemporal chaos. The system escapes from the neighborhood of the chaotic saddle to either the rest state or to a state of pulse propagation. The lifetime of the chaotic transients is manipulated in a statistical sense through a singular application of a synchronous perturbation to a group of neurons.

  12. Bi-SOC-states in one-dimensional random cellular automaton

    NASA Astrophysics Data System (ADS)

    Czechowski, Zbigniew; Budek, Agnieszka; Białecki, Mariusz

    2017-10-01

    Two statistically stationary states with power-law scaling of avalanches are found in a simple 1 D cellular automaton. Features of the fixed points, the spiral saddle and the saddle with index 1, are investigated. The migration of states of the automaton between these two self-organized criticality states is demonstrated during evolution of the system in computer simulations. The automaton, being a slowly driven system, can be applied as a toy model of earthquake supercycles.

  13. Lagrangian coherent structure analysis in the three-dimensional wake of a bio-inspired trapezoidal pitching panel

    NASA Astrophysics Data System (ADS)

    Kumar, Rajeev; King, Justin; Green, Melissa

    2017-11-01

    Three-dimensional Lagrangian analysis using the finite-time Lyapunov exponent (FTLE) field has been carried out on experimentally captured wake downstream of an oscillating trapezoidal panel. The trapezoidal geometry of the panel served as a simple model of a fish caudal fin. Three-dimensional FTLE isosurface appears as a shell wrapped around the wake vortex structures. A slice through the isosurfaces results in the familiar two-dimensional FTLE ridges. The attracting ridges (nFTLE) and the repelling ridges (pFTLE) are near-material lines and their intersections are analogous to topological saddle points in the flow field. A vortex-ring-based wake structure induces a streamwise momentum jet, evolution of which appears to be related to the timing of saddle point generation and behavior at the trailing edge. The time of release of these saddles at the trailing edge inside a pitching period appears to coincide with thrust extrema in similar experimental and numerical studies on foils and fins published in the literature. The merger of a pair of saddles from two consecutively shed vortices at a downstream location coincides with the occurrence of wake breakdown and precedes the formation of interconnected vortex loops and beginning of momentum-deficit zone in the time-averaged sense. This work was supported by the Office of Naval Research under ONR Award No. N00014-14-1-0418.

  14. Nonlinear instability of half-solitons on star graphs

    NASA Astrophysics Data System (ADS)

    Kairzhan, Adilbek; Pelinovsky, Dmitry E.

    2018-06-01

    We consider a half-soliton stationary state of the nonlinear Schrödinger equation with the power nonlinearity on a star graph consisting of N edges and a single vertex. For the subcritical power nonlinearity, the half-soliton state is a degenerate critical point of the action functional under the mass constraint such that the second variation is nonnegative. By using normal forms, we prove that the degenerate critical point is a saddle point, for which the small perturbations to the half-soliton state grow slowly in time resulting in the nonlinear instability of the half-soliton state. The result holds for any N ≥ 3 and arbitrary subcritical power nonlinearity. It gives a precise dynamical characterization of the previous result of Adami et al. (2012) [2], where the half-soliton state was shown to be a saddle point of the action functional under the mass constraint for N = 3 and for cubic nonlinearity.

  15. A nine-dimensional ab initio global potential energy surface for the H2O+ + H2 → H3O+ + H reaction

    NASA Astrophysics Data System (ADS)

    Li, Anyang; Guo, Hua

    2014-06-01

    An accurate full-dimensional global potential energy surface (PES) is developed for the title reaction. While the long-range interactions in the reactant asymptote are represented by an analytical expression, the interaction region of the PES is fit to more than 81 000 of ab initio points at the UCCSD(T)-F12b/AVTZ level using the permutation invariant polynomial neural network approach. Fully symmetric with respect to permutation of all four hydrogen atoms, the PES provides a faithful representation of the ab initio points, with a root mean square error of 1.8 meV or 15 cm-1. The reaction path for this exoergic reaction features an attractive and barrierless entrance channel, a submerged saddle point, a shallow H4O+ well, and a barrierless exit channel. The rate coefficients for the title reaction and kinetic isotope effect have been determined on this PES using quasi-classical trajectories, and they are in good agreement with available experimental data. It is further shown that the H2O+ rotational enhancement of reactivity observed experimentally can be traced to the submerged saddle point. Using our recently proposed Sudden Vector Projection model, we demonstrate that a rotational degree of freedom of the H2O+ reactant is strongly coupled with the reaction coordinate at this saddle point, thus unraveling the origin of the pronounced mode specificity in this reaction.

  16. Quantum transitions through cosmological singularities

    NASA Astrophysics Data System (ADS)

    Bramberger, Sebastian F.; Hertog, Thomas; Lehners, Jean-Luc; Vreys, Yannick

    2017-07-01

    In a quantum theory of cosmology spacetime behaves classically only in limited patches of the configuration space on which the wave function of the universe is defined. Quantum transitions can connect classical evolution in different patches. Working in the saddle point approximation and in minisuperspace we compute quantum transitions connecting inflationary histories across a de Sitter like throat or a singularity. This supplies probabilities for how an inflating universe, when evolved backwards, transitions and branches into an ensemble of histories on the opposite side of a quantum bounce. Generalising our analysis to scalar potentials with negative regions we identify saddle points describing a quantum transition between a classically contracting, crunching ekpyrotic phase and an inflationary universe.

  17. The effectiveness of adhesives on the retention of mandibular free end saddle partial dentures: An in vitro study.

    PubMed

    Quiney, Daniel; Nishio Ayre, Wayne; Milward, Paul

    2017-07-01

    Existing in vitro methods for testing denture adhesives do not fully replicate the complex oral geometries and environment; and in vivo methods are qualitative, prone to bias and not easily reproducible. The purpose of this study was to develop a novel, quantitative and more accurate model to test the effect of adhesives on the retentive force of mandibular free end saddle partial dentures. An in vitro model was developed based on an anatomically accurate cast of a clinical case. Experimentally, the amount of adhesive was varied (0.2g-1g) and the tensile force required for displacement was measured. Different commercially available adhesives were then tested at the optimum volume using the in vitro model. A 3D finite element model of the denture was used to assess how the forces to induce denture displacement varied according to the position of the force along the saddle length. The mass of adhesive was found to significantly alter retention forces, with 0.4-0.7g being the optimum range for this particular scenario. Use of adhesives significantly improved mandibular free end saddle partial denture retention with the worst performing adhesive increasing retention nine-fold whilst the best performing adhesive increased retention twenty three-fold. The finite element model revealed that 77% more force was required to displace the denture by positioning forces towards the mesial end of the saddle compared to the distal end. An in vitro denture adhesive model was developed, which demonstrated that mass of adhesive plays a significant role in enhancing denture retention and supported the design principle of placing as few teeth as clinically necessary on the distal end of the free end saddles. Limiting the position of teeth on free end saddles to the mesial and mid portion of the saddle will reduce displacements caused by mastication. The movement of mandibular free end saddle partial dentures can be restricted with the use of denture adhesives. Altering the mass of adhesive used can further improve the retention of mandibular free end saddle partial dentures for patients. Copyright © 2017 Elsevier Ltd. All rights reserved.

  18. [The mechanical behavior and biocompatibility of different modern ideas of partial fixed free-end saddle dentures].

    PubMed

    Lubespere, A; Lebig, A; Jourdan, P

    1992-01-01

    This research is aimed to check the mechanical holding and the biocompatibility at various conceptions of removable partial dentures with free saddles, constituted from satellite alloys. As a matter of fact, the duality of the supporting surface in this kind of dental prosthesis sets biological problems, that one must try to sort out in the best way. It consists of three in vitro experimentations to point out the type or the types of framework answering in the best way to biomechanical and biological requirements. The very same equipment has been used on that three experimentations adapting it to the needs. It's "a machine to overdrive", imagined into the building of "L'Ecole supérieure d'Aéronautique de Toulouse"; this machine is made of an electric engine with an axis of rotation, of two speed reducers giving a motion, of one turn by second, of a knee-joint converting a rotary motion to an alternating motion, of a lever-arm enclosing supporting the weights, of a needle with a foam point which secure the saddles or the strategic zones, of two supporting mandibular and maxillary framework resin patterns, and on the areas representing the osteo-mucosa support capped uniformly with a compressible silicone material of on millimetre thick, of one dynamometer and of an accurate comparator to check the strength used, and the displacement tested zones. The first part consists in testing the amplitude of the saddle displacement and the mobilization of strategic joining areas from various frameworks used. So we can infer the impact on the mucosa during the function. That is why six types of frameworks have been achieved in Wironit satellite alloy showing mechanical qualities admitted to be excellent and to be subject to very accurate experiment conditions with 30 Kz strength (Lundeen and Gibbs, 1982). The results are interpreted through the reading of histograms which X-AXIS represent the points where motions have been located and the Y-AXIS represent the motion at 1/100th millimetre. It allows to show the existence more or less important of the saddle displacement which is not far from the mucosa one and constitute therefore on the biological view point a favourable component but also the existence of tensions in level of some strategic zones which let foresee, for same, a risk of weariness.(ABSTRACT TRUNCATED AT 400 WORDS)

  19. Optical signature of Weyl electronic structures in tantalum pnictides Ta P n (P n = P, As)

    NASA Astrophysics Data System (ADS)

    Kimura, Shin-ichi; Yokoyama, Hiroko; Watanabe, Hiroshi; Sichelschmidt, Jörg; Süß, Vicky; Schmidt, Marcus; Felser, Claudia

    2017-08-01

    To investigate the electronic structure of Weyl semimetals Ta P n (P n = P, As), optical conductivity [σ (ω )] spectra are measured over a wide range of photon energies and temperatures, and these measured values are compared with band calculations. Two significant structures can be observed: a bending structure at ℏ ω ˜85 meV in TaAs, and peaks at ℏ ω ˜ 50 meV (TaP) and ˜30 meV (TaAs). The bending structure can be explained by the interband transition between saddle points connecting a set of W2 Weyl points. The temperature dependence of the peak intensity can be fitted by assuming the interband transition between saddle points connecting a set of W1 Weyl points. Owing to the different temperature dependence of the Drude weight in both materials, it is found that the Weyl points of TaAs are located near the Fermi level, whereas those of TaP are further away.

  20. Stability boundaries for command augmentation systems

    NASA Technical Reports Server (NTRS)

    Shrivastava, P. C.

    1987-01-01

    The Stability Augmentation System (SAS) is a special case of the Command Augmentation System (CAS). Control saturation imposes bounds on achievable commands. The state equilibrium depends only on the open loop dynamics and control deflection. The control magnitude to achieve a desired command equilibrium is independent of the feedback gain. A feedback controller provides the desired response, maintains the system equilibrium under disturbances, but it does not affect the equilibrium values of states and control. The saturation boundaries change with commands, but the location of the equilibrium points in the saturated region remains unchanged. Nonzero command vectors yield saturation boundaries that are asymmetric with respect to the state equilibrium. Except for the saddle point case with MCE control law, the stability boundaries change with commands. For the cases of saddle point and unstable nodes, the region of stability decreases with increasing command magnitudes.

  1. Microscopic progression in the free radical addition reaction: modeling, geometry, energy, and kinetics.

    PubMed

    Zhang, Yun; Huang, Hong; Liang, Zhiling; Liu, Houhe; Yi, Ling; Zhang, Jinhong; Zhang, Zhiqiang; Zhong, Cheng; Huang, Yugang; Ye, Guodong

    2017-03-01

    The free radical addition reaction is very important in UV curing. The benzoyl radical is the most commonly observed radical. In the addition process, the benzoyl radical adds to an acrylate monomer, forming a primary radical that has great value for subsequent research. In this article, a quantum chemical method was used to study the microscopic progression from the reactive complex to the saddle point. The reactions of three monomers (amylene, allyl methyl ether and methyl acrylate) with a benzoyl radical were evaluated in terms of geometry and energy. The results were also interpreted with an expanded version of the Polanyi rules and the interaction/deformation theory. The deformation energy of methyl acrylate was found to be the smallest, and the bond formation index showed that the transition state in the methyl acrylate system forms early, and can easily reach the saddle point. The activity of the monomer was ascertained by charge analysis and was further confirmed by the reaction rate. Mayer bond order curves depicted the constantly changing chemical bonds during formation and dissociation. Reduced density gradient analysis showed a weak interaction between the monomer and the benzoyl radical.

  2. A function space framework for structural total variation regularization with applications in inverse problems

    NASA Astrophysics Data System (ADS)

    Hintermüller, Michael; Holler, Martin; Papafitsoros, Kostas

    2018-06-01

    In this work, we introduce a function space setting for a wide class of structural/weighted total variation (TV) regularization methods motivated by their applications in inverse problems. In particular, we consider a regularizer that is the appropriate lower semi-continuous envelope (relaxation) of a suitable TV type functional initially defined for sufficiently smooth functions. We study examples where this relaxation can be expressed explicitly, and we also provide refinements for weighted TV for a wide range of weights. Since an integral characterization of the relaxation in function space is, in general, not always available, we show that, for a rather general linear inverse problems setting, instead of the classical Tikhonov regularization problem, one can equivalently solve a saddle-point problem where no a priori knowledge of an explicit formulation of the structural TV functional is needed. In particular, motivated by concrete applications, we deduce corresponding results for linear inverse problems with norm and Poisson log-likelihood data discrepancy terms. Finally, we provide proof-of-concept numerical examples where we solve the saddle-point problem for weighted TV denoising as well as for MR guided PET image reconstruction.

  3. Technological parameters of welding of branch saddles to polyethylene pipes at low temperatures

    NASA Astrophysics Data System (ADS)

    Starostin, N. P.; Vasilieva, M. A.

    2017-12-01

    The present paper outlines a procedure for determination of dynamics of the temperature field during the welding of the branch saddle to the polyethylene gas pipeline at ambient temperatures below the normative. The analysis is accomplished by the finite element method with the heat of the phase transition taken into account. Methods of the visualization of data sets reveal the possibility of controlling the thermal process by preheating and thermal insulation during welding of the branch saddle to the pipe at low temperatures and the possibility of obtaining the dynamics of the temperature field at which a high-quality welded joint is formed.

  4. The chaotic saddle of a three degrees of freedom scattering system reconstructed from cross-section data

    NASA Astrophysics Data System (ADS)

    Drótos, G.; Jung, C.

    2016-06-01

    The topic of this paper is hyperbolic chaotic scattering in a three degrees of freedom system. We generalize how shadows in the domain of the doubly differential cross-section are found: they are traced out by the appropriately filtered unstable manifolds of the periodic trajectories in the chaotic saddle. These shadows are related to the rainbow singularities in the doubly differential cross-section. As a result of this relation, we discover a method of how to recognize in the cross section a smoothly deformed image of the chaotic saddle, allowing the reconstruction of the symbolic dynamics of the chaotic saddle, its topology and its scaling factors.

  5. Three-dimensional separation and reattachment

    NASA Technical Reports Server (NTRS)

    Peake, D. J.; Tobak, M.

    1982-01-01

    The separation of three dimensional turbulent boundary layers from the lee of flight vehicles at high angles of attack is investigated. The separation results in dominant, large scale, coiled vortex motions that pass along the body in the general direction of the free stream. In all cases of three dimensional flow separation and reattachment, the assumption of continuous vector fields of skin friction lines and external flow streamlines, coupled with simple laws of topology, provides a flow grammar whose elemental constituents are the singular points: the nodes, spiral nodes (foci), and saddles. The phenomenon of three dimensional separation may be construed as either a local or a global event, depending on whether the skin friction line that becomes a line of separation originates at a node or a saddle point.

  6. On the Far-Zone Electromagnetic Field of a Horizontal Electric Dipole Over an Imperfectly Conducting Half-Space With Extensions to Plasmonics

    NASA Astrophysics Data System (ADS)

    Michalski, Krzysztof A.; Lin, Hung-I.

    2018-01-01

    Second-order asymptotic formulas for the electromagnetic fields of a horizontal electric dipole over an imperfectly conducting half-space are derived using the modified saddle-point method. Application examples are presented for ordinary and plasmonic media, and the accuracy of the new formulation is assessed by comparisons with two alternative state-of-the-art theories and with the rigorous results of numerical integration.

  7. Application of the nudged elastic band method to the point-to-point radio wave ray tracing in IRI modeled ionosphere

    NASA Astrophysics Data System (ADS)

    Nosikov, I. A.; Klimenko, M. V.; Bessarab, P. F.; Zhbankov, G. A.

    2017-07-01

    Point-to-point ray tracing is an important problem in many fields of science. While direct variational methods where some trajectory is transformed to an optimal one are routinely used in calculations of pathways of seismic waves, chemical reactions, diffusion processes, etc., this approach is not widely known in ionospheric point-to-point ray tracing. We apply the Nudged Elastic Band (NEB) method to a radio wave propagation problem. In the NEB method, a chain of points which gives a discrete representation of the radio wave ray is adjusted iteratively to an optimal configuration satisfying the Fermat's principle, while the endpoints of the trajectory are kept fixed according to the boundary conditions. Transverse displacements define the radio ray trajectory, while springs between the points control their distribution along the ray. The method is applied to a study of point-to-point ionospheric ray tracing, where the propagation medium is obtained with the International Reference Ionosphere model taking into account traveling ionospheric disturbances. A 2-dimensional representation of the optical path functional is developed and used to gain insight into the fundamental difference between high and low rays. We conclude that high and low rays are minima and saddle points of the optical path functional, respectively.

  8. Efficient solvers for coupled models in respiratory mechanics.

    PubMed

    Verdugo, Francesc; Roth, Christian J; Yoshihara, Lena; Wall, Wolfgang A

    2017-02-01

    We present efficient preconditioners for one of the most physiologically relevant pulmonary models currently available. Our underlying motivation is to enable the efficient simulation of such a lung model on high-performance computing platforms in order to assess mechanical ventilation strategies and contributing to design more protective patient-specific ventilation treatments. The system of linear equations to be solved using the proposed preconditioners is essentially the monolithic system arising in fluid-structure interaction (FSI) extended by additional algebraic constraints. The introduction of these constraints leads to a saddle point problem that cannot be solved with usual FSI preconditioners available in the literature. The key ingredient in this work is to use the idea of the semi-implicit method for pressure-linked equations (SIMPLE) for getting rid of the saddle point structure, resulting in a standard FSI problem that can be treated with available techniques. The numerical examples show that the resulting preconditioners approach the optimal performance of multigrid methods, even though the lung model is a complex multiphysics problem. Moreover, the preconditioners are robust enough to deal with physiologically relevant simulations involving complex real-world patient-specific lung geometries. The same approach is applicable to other challenging biomedical applications where coupling between flow and tissue deformations is modeled with additional algebraic constraints. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  9. Cosmological viability conditions for f(T) dark energy models

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Setare, M.R.; Mohammadipour, N., E-mail: rezakord@ipm.ir, E-mail: N.Mohammadipour@uok.ac.ir

    2012-11-01

    Recently f(T) modified teleparallel gravity where T is the torsion scalar has been proposed as the natural gravitational alternative for dark energy. We perform a detailed dynamical analysis of these models and find conditions for the cosmological viability of f(T) dark energy models as geometrical constraints on the derivatives of these models. We show that in the phase space exists two cosmologically viable trajectory which (i) The universe would start from an unstable radiation point, then pass a saddle standard matter point which is followed by accelerated expansion de sitter point. (ii) The universe starts from a saddle radiation epoch,more » then falls onto the stable matter era and the system can not evolve to the dark energy dominated epoch. Finally, for a number of f(T) dark energy models were proposed in the more literature, the viability conditions are investigated.« less

  10. Interactive Reference Point Procedure Based on the Conic Scalarizing Function

    PubMed Central

    2014-01-01

    In multiobjective optimization methods, multiple conflicting objectives are typically converted into a single objective optimization problem with the help of scalarizing functions. The conic scalarizing function is a general characterization of Benson proper efficient solutions of non-convex multiobjective problems in terms of saddle points of scalar Lagrangian functions. This approach preserves convexity. The conic scalarizing function, as a part of a posteriori or a priori methods, has successfully been applied to several real-life problems. In this paper, we propose a conic scalarizing function based interactive reference point procedure where the decision maker actively takes part in the solution process and directs the search according to her or his preferences. An algorithmic framework for the interactive solution of multiple objective optimization problems is presented and is utilized for solving some illustrative examples. PMID:24723795

  11. Orbital and escape dynamics in barred galaxies - III. The 3D system: correlations between the basins of escape and the NHIMs

    NASA Astrophysics Data System (ADS)

    Zotos, Euaggelos E.; Jung, Christof

    2018-01-01

    The escape dynamics of the stars in a barred galaxy composed of a spherically symmetric central nucleus, a bar, a flat thin disc and a dark matter halo component is investigated by using a realistic three degrees of freedom (3-d.o.f.) dynamical model. Modern colour-coded diagrams are used for distinguishing between bounded and escaping motion. In addition, the smaller alignment index method is deployed for determining the regular, sticky or chaotic nature of bounded orbits. We reveal the basins of escape corresponding to the escape through the two symmetrical escape channels around the Lagrange points L2 and L3 and also we relate them with the corresponding distribution of the escape times of the orbits. Furthermore, we demonstrate how the stable manifolds, around the index-1 saddle points, accurately define the fractal basin boundaries observed in the colour-coded diagrams. The development scenario of the fundamental vertical Lyapunov periodic orbit is thoroughly explored for obtaining a more complete view of the unfolding of the singular behaviour of the dynamics at the cusp values of the parameters. Finally, we examine how the combination of the most important parameters of the bar (such as the semimajor axis and the angular velocity) influences the observed stellar structures (rings and spirals), which are formed by escaping stars guided by the invariant manifolds near the saddle points.

  12. Periodicity and Chaos Amidst Twisting and Folding in Two-Dimensional Maps

    NASA Astrophysics Data System (ADS)

    Garst, Swier; Sterk, Alef E.

    We study the dynamics of three planar, noninvertible maps which rotate and fold the plane. Two maps are inspired by real-world applications whereas the third map is constructed to serve as a toy model for the other two maps. The dynamics of the three maps are remarkably similar. A stable fixed point bifurcates through a Hopf-Neĭmark-Sacker which leads to a countably infinite set of resonance tongues in the parameter plane of the map. Within a resonance tongue a periodic point can bifurcate through a period-doubling cascade. At the end of the cascade we detect Hénon-like attractors which are conjectured to be the closure of the unstable manifold of a saddle periodic point. These attractors have a folded structure which can be explained by means of the concept of critical lines. We also detect snap-back repellers which can either coexist with Hénon-like attractors or which can be formed when the saddle-point of a Hénon-like attractor becomes a source.

  13. Lagrangian statistics in weakly forced two-dimensional turbulence.

    PubMed

    Rivera, Michael K; Ecke, Robert E

    2016-01-01

    Measurements of Lagrangian single-point and multiple-point statistics in a quasi-two-dimensional stratified layer system are reported. The system consists of a layer of salt water over an immiscible layer of Fluorinert and is forced electromagnetically so that mean-squared vorticity is injected at a well-defined spatial scale ri. Simultaneous cascades develop in which enstrophy flows predominately to small scales whereas energy cascades, on average, to larger scales. Lagrangian correlations and one- and two-point displacements are measured for random initial conditions and for initial positions within topological centers and saddles. Some of the behavior of these quantities can be understood in terms of the trapping characteristics of long-lived centers, the slow motion near strong saddles, and the rapid fluctuations outside of either centers or saddles. We also present statistics of Lagrangian velocity fluctuations using energy spectra in frequency space and structure functions in real space. We compare with complementary Eulerian velocity statistics. We find that simultaneous inverse energy and enstrophy ranges present in spectra are not directly echoed in real-space moments of velocity difference. Nevertheless, the spectral ranges line up well with features of moment ratios, indicating that although the moments are not exhibiting unambiguous scaling, the behavior of the probability distribution functions is changing over short ranges of length scales. Implications for understanding weakly forced 2D turbulence with simultaneous inverse and direct cascades are discussed.

  14. Electromagnetic plane-wave pulse transmission into a Lorentz half-space.

    PubMed

    Cartwright, Natalie A

    2011-12-01

    The propagation of an electromagnetic plane-wave signal obliquely incident upon a Lorentz half-space is studied analytically. Time-domain asymptotic expressions that increase in accuracy with propagation distance are derived by application of uniform saddle point methods on the Fourier-Laplace integral representation of the transmitted field. The results are shown to be continuous in time and comparable with numerical calculations of the field. Arrival times and angles of refraction are given for prominent transient pulse features and the steady-state signal.

  15. Asymptotic Analysis of the parton branching equation at LHC Energies

    NASA Astrophysics Data System (ADS)

    Wang, W. Y.; Lau, H. P.; Leong, Q.; Chan, A. H.; Oh, C. H.

    2018-01-01

    An asymptotic solution to the QCD parton branching equation is derived using the method of Laplace transformation and saddle point approximation. The distribution is applied to charged particle multiplicity distributions in proton-proton collisions at √s = 0.9, 2.36, and 7 TeV for |ƞ| < 0.5, 1.0, 1.5, 2.0, 2.4, and 8 TeV for |ƞ| < 0.5, 1.0, 1.5, as well as 13 TeV data for |ƞ| < 0.8 and 2.5.

  16. Projection-based stabilization of interface Lagrange multipliers in immersogeometric fluid-thin structure interaction analysis, with application to heart valve modeling.

    PubMed

    Kamensky, David; Evans, John A; Hsu, Ming-Chen; Bazilevs, Yuri

    2017-11-01

    This paper discusses a method of stabilizing Lagrange multiplier fields used to couple thin immersed shell structures and surrounding fluids. The method retains essential conservation properties by stabilizing only the portion of the constraint orthogonal to a coarse multiplier space. This stabilization can easily be applied within iterative methods or semi-implicit time integrators that avoid directly solving a saddle point problem for the Lagrange multiplier field. Heart valve simulations demonstrate applicability of the proposed method to 3D unsteady simulations. An appendix sketches the relation between the proposed method and a high-order-accurate approach for simpler model problems.

  17. Techniques and Software for Monolithic Preconditioning of Moderately-sized Geodynamic Stokes Flow Problems

    NASA Astrophysics Data System (ADS)

    Sanan, Patrick; May, Dave A.; Schenk, Olaf; Bollhöffer, Matthias

    2017-04-01

    Geodynamics simulations typically involve the repeated solution of saddle-point systems arising from the Stokes equations. These computations often dominate the time to solution. Direct solvers are known for their robustness and ``black box'' properties, yet exhibit superlinear memory requirements and time to solution. More complex multilevel-preconditioned iterative solvers have been very successful for large problems, yet their use can require more effort from the practitioner in terms of setting up a solver and choosing its parameters. We champion an intermediate approach, based on leveraging the power of modern incomplete factorization techniques for indefinite symmetric matrices. These provide an interesting alternative in situations in between the regimes where direct solvers are an obvious choice and those where complex, scalable, iterative solvers are an obvious choice. That is, much like their relatives for definite systems, ILU/ICC-preconditioned Krylov methods and ILU/ICC-smoothed multigrid methods, the approaches demonstrated here provide a useful addition to the solver toolkit. We present results with a simple, PETSc-based, open-source Q2-Q1 (Taylor-Hood) finite element discretization, in 2 and 3 dimensions, with the Stokes and Lamé (linear elasticity) saddle point systems. Attention is paid to cases in which full-operator incomplete factorization gives an improvement in time to solution over direct solution methods (which may not even be feasible due to memory limitations), without the complication of more complex (or at least, less-automatic) preconditioners or smoothers. As an important factor in the relevance of these tools is their availability in portable software, we also describe open-source PETSc interfaces to the factorization routines.

  18. Topological phase diagram and saddle point singularity in a tunable topological crystalline insulator

    DOE PAGES

    Neupane, Madhab; Xu, Su-Yang; Sankar, R.; ...

    2015-08-20

    Here we report the evolution of the surface electronic structure and surface material properties of a topological crystalline insulator (TCI), Pb 1more » $${-}$$xSnxSe, as a function of various material parameters including composition x, temperature T , and crystal structure. Our spectroscopic data demonstrate the electronic ground-state condition for the saddle point singularity, the tunability of surface chemical potential, and the surface states’ response to circularly polarized light. Our results show that each material parameter can tune the system between the trivial and topological phase in a distinct way, unlike that seen in Bi 2Se 3 and related compounds, leading to a rich topological phase diagram. Our systematic studies of the TCI Pb 1$${-}$$xSnxSe are a valuable materials guide to realize new topological phenomena.« less

  19. Lagrangian statistics in weakly forced two-dimensional turbulence

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rivera, Michael K.; Ecke, Robert E.

    Measurements of Lagrangian single-point and multiple-point statistics in a quasi-two-dimensional stratified layer system are reported. The system consists of a layer of salt water over an immiscible layer of Fluorinert and is forced electromagnetically so that mean-squared vorticity is injected at a well-defined spatial scale r i. Simultaneous cascades develop in which enstrophy flows predominately to small scales whereas energy cascades, on average, to larger scales. Lagrangian correlations and one- and two-point displacements are measured for random initial conditions and for initial positions within topological centers and saddles. Some of the behavior of these quantities can be understood in termsmore » of the trapping characteristics of long-lived centers, the slow motion near strong saddles, and the rapid fluctuations outside of either centers or saddles. We also present statistics of Lagrangian velocity fluctuations using energy spectra in frequency space and structure functions in real space. We compare with complementary Eulerian velocity statistics. We find that simultaneous inverse energy and enstrophy ranges present in spectra are not directly echoed in real-space moments of velocity difference. Nevertheless, the spectral ranges line up well with features of moment ratios, indicating that although the moments are not exhibiting unambiguous scaling, the behavior of the probability distribution functions is changing over short ranges of length scales. Furthermore, implications for understanding weakly forced 2D turbulence with simultaneous inverse and direct cascades are discussed.« less

  20. Lagrangian statistics in weakly forced two-dimensional turbulence

    DOE PAGES

    Rivera, Michael K.; Ecke, Robert E.

    2016-01-14

    Measurements of Lagrangian single-point and multiple-point statistics in a quasi-two-dimensional stratified layer system are reported. The system consists of a layer of salt water over an immiscible layer of Fluorinert and is forced electromagnetically so that mean-squared vorticity is injected at a well-defined spatial scale r i. Simultaneous cascades develop in which enstrophy flows predominately to small scales whereas energy cascades, on average, to larger scales. Lagrangian correlations and one- and two-point displacements are measured for random initial conditions and for initial positions within topological centers and saddles. Some of the behavior of these quantities can be understood in termsmore » of the trapping characteristics of long-lived centers, the slow motion near strong saddles, and the rapid fluctuations outside of either centers or saddles. We also present statistics of Lagrangian velocity fluctuations using energy spectra in frequency space and structure functions in real space. We compare with complementary Eulerian velocity statistics. We find that simultaneous inverse energy and enstrophy ranges present in spectra are not directly echoed in real-space moments of velocity difference. Nevertheless, the spectral ranges line up well with features of moment ratios, indicating that although the moments are not exhibiting unambiguous scaling, the behavior of the probability distribution functions is changing over short ranges of length scales. Furthermore, implications for understanding weakly forced 2D turbulence with simultaneous inverse and direct cascades are discussed.« less

  1. Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface

    NASA Astrophysics Data System (ADS)

    Wang, Yimin; Braams, Bastiaan J.; Bowman, Joel M.; Carter, Stuart; Tew, David P.

    2008-06-01

    Quantum calculations of the ground vibrational state tunneling splitting of H-atom and D-atom transfer in malonaldehyde are performed on a full-dimensional ab initio potential energy surface (PES). The PES is a fit to 11 147 near basis-set-limit frozen-core CCSD(T) electronic energies. This surface properly describes the invariance of the potential with respect to all permutations of identical atoms. The saddle-point barrier for the H-atom transfer on the PES is 4.1 kcal/mol, in excellent agreement with the reported ab initio value. Model one-dimensional and ``exact'' full-dimensional calculations of the splitting for H- and D-atom transfer are done using this PES. The tunneling splittings in full dimensionality are calculated using the unbiased ``fixed-node'' diffusion Monte Carlo (DMC) method in Cartesian and saddle-point normal coordinates. The ground-state tunneling splitting is found to be 21.6 cm-1 in Cartesian coordinates and 22.6 cm-1 in normal coordinates, with an uncertainty of 2-3 cm-1. This splitting is also calculated based on a model which makes use of the exact single-well zero-point energy (ZPE) obtained with the MULTIMODE code and DMC ZPE and this calculation gives a tunneling splitting of 21-22 cm-1. The corresponding computed splittings for the D-atom transfer are 3.0, 3.1, and 2-3 cm-1. These calculated tunneling splittings agree with each other to within less than the standard uncertainties obtained with the DMC method used, which are between 2 and 3 cm-1, and agree well with the experimental values of 21.6 and 2.9 cm-1 for the H and D transfer, respectively.

  2. Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface.

    PubMed

    Wang, Yimin; Braams, Bastiaan J; Bowman, Joel M; Carter, Stuart; Tew, David P

    2008-06-14

    Quantum calculations of the ground vibrational state tunneling splitting of H-atom and D-atom transfer in malonaldehyde are performed on a full-dimensional ab initio potential energy surface (PES). The PES is a fit to 11 147 near basis-set-limit frozen-core CCSD(T) electronic energies. This surface properly describes the invariance of the potential with respect to all permutations of identical atoms. The saddle-point barrier for the H-atom transfer on the PES is 4.1 kcalmol, in excellent agreement with the reported ab initio value. Model one-dimensional and "exact" full-dimensional calculations of the splitting for H- and D-atom transfer are done using this PES. The tunneling splittings in full dimensionality are calculated using the unbiased "fixed-node" diffusion Monte Carlo (DMC) method in Cartesian and saddle-point normal coordinates. The ground-state tunneling splitting is found to be 21.6 cm(-1) in Cartesian coordinates and 22.6 cm(-1) in normal coordinates, with an uncertainty of 2-3 cm(-1). This splitting is also calculated based on a model which makes use of the exact single-well zero-point energy (ZPE) obtained with the MULTIMODE code and DMC ZPE and this calculation gives a tunneling splitting of 21-22 cm(-1). The corresponding computed splittings for the D-atom transfer are 3.0, 3.1, and 2-3 cm(-1). These calculated tunneling splittings agree with each other to within less than the standard uncertainties obtained with the DMC method used, which are between 2 and 3 cm(-1), and agree well with the experimental values of 21.6 and 2.9 cm(-1) for the H and D transfer, respectively.

  3. Women's bike seats: a pressing matter for competitive female cyclists.

    PubMed

    Guess, Marsha K; Partin, Sarah N; Schrader, Steven; Lowe, Brian; LaCombe, Julie; Reutman, Susan; Wang, Andrea; Toennis, Christine; Melman, Arnold; Mikhail, Madgy; Connell, Kathleen A

    2011-11-01

    There are numerous genital complaints in women cyclists, including pain, numbness, and edema of pelvic floor structures. Debate ensues about the best saddle design for protection of the pelvic floor. To investigate the relationships between saddle design, seat pressures, and genital nerve function in female, competitive cyclists. We previously compared genital sensation in healthy, premenopausal, competitive women bicyclists and runners. The 48 cyclists from our original study comprise the study group in this subanalysis. Main outcome measures were: (i) genital vibratory thresholds (VTs) determined using the Medoc Vibratory Sensation Analyzer 3000 and (ii) saddle pressures as determined using a specially designed map sensor. More than half of the participants (54.8%) used traditional saddles, and the remainder (45.2%) rode with cut-out saddles. On bivariate analysis, use of traditional saddles was associated with lower mean perineal saddle pressures (MPSP) than riding on cut-out saddles. Peak perineal saddle pressures (PPSP) were also lower; however, the difference did not reach statistical significance. Saddle design did not affect mean or peak total saddle pressures (MTSP, PTSP). Saddle width was significantly associated with PPSP, MTSP, and PTSP but not with MPSP. Women riding cut-out saddles had, on average, a 4 and 11 kPa increase in MPSP and PPSP, respectively, compared with women using traditional saddles (P = 0.008 and P = 0.010), after adjustment for other variables. Use of wider saddles was associated with lower PPSP and MTSP after adjustment. Although an inverse correlation was seen between saddle pressures and VTs on bivariate analysis, these differences were not significant after adjusting for age. Cut-out and narrower saddles negatively affect saddle pressures in female cyclists. Effects of saddle design on pudendal nerve sensory function were not apparent in this cross-sectional analysis. Longitudinal studies evaluating the long-term effects of saddle pressure on the integrity of the pudendal nerve, pelvic floor, and sexual function are warranted. © 2011 International Society for Sexual Medicine.

  4. Loss surface of XOR artificial neural networks

    NASA Astrophysics Data System (ADS)

    Mehta, Dhagash; Zhao, Xiaojun; Bernal, Edgar A.; Wales, David J.

    2018-05-01

    Training an artificial neural network involves an optimization process over the landscape defined by the cost (loss) as a function of the network parameters. We explore these landscapes using optimization tools developed for potential energy landscapes in molecular science. The number of local minima and transition states (saddle points of index one), as well as the ratio of transition states to minima, grow rapidly with the number of nodes in the network. There is also a strong dependence on the regularization parameter, with the landscape becoming more convex (fewer minima) as the regularization term increases. We demonstrate that in our formulation, stationary points for networks with Nh hidden nodes, including the minimal network required to fit the XOR data, are also stationary points for networks with Nh+1 hidden nodes when all the weights involving the additional node are zero. Hence, smaller networks trained on XOR data are embedded in the landscapes of larger networks. Our results clarify certain aspects of the classification and sensitivity (to perturbations in the input data) of minima and saddle points for this system, and may provide insight into dropout and network compression.

  5. CFD Validation with LDV Test Data for Payload/Fairing Internal Flow

    NASA Technical Reports Server (NTRS)

    Kandula, max; Hammad, Khaled; Schallhorn, Paul

    2005-01-01

    Flowfield testing of a 1/5th scale model of a payload/fairing configuration, typical of an expendable launch vehicle, has been performed. Two-dimensional (planar) velocity measurements were carried out in four planes with the aid of Laser Doppler Velocimetry (LDV). Computational Fluid Dynamics (CFD) analysis results for the scale model flowfleld are compared with the test data. The CFD results are in general agreement with the test data. The ability of the CFD methodology in identifying the global flow features (including critical points such as vortex, saddle point, etc.) has been demonstrated. Practical problems and difficulties associated with the LDV method applied to the complex geometry under consideration have been summarized.

  6. High incidence of post-dural puncture headache in patients with spinal saddle block induced with Quincke needles for anorectal surgery: a randomised clinical trial.

    PubMed

    Schmittner, Marc D; Terboven, Tom; Dluzak, Michael; Janke, Andrea; Limmer, Marc E; Weiss, Christel; Bussen, Dieter G; Burmeister, Marc A; Beck, Grietje C

    2010-06-01

    Spinal saddle block represents nearly the ideal anaesthesia technique for anorectal surgery. Post-dural puncture headache (PDPH) is a dreaded complication but can be decreased by the use of non-cutting spinal needles to rates less than 1%. Though, cutting Quincke type needles are still widely used for economic reasons, leading to a higher rate of PDPH. We performed this study to demonstrate a reduction of PDPH by the use of very small 29-G compared with commonly used 25-G Quincke type spinal needles. Two hundred sixteen adult patients (male/female, 19-83 years, ASA status I-III) were randomised 1:1 to groups, in which either a 25-G or a 29-G Quincke type spinal needle was used for a spinal saddle block. The incidence of PDPH was assessed during 1 week after surgery. Thirty-nine of 216 patients developed PDPH but there was no difference between the two needle sizes (25-G, n = 18/106 vs. 29-G, n = 21/110, p = 0.6870). Women suffered significantly more from PDPH than men (23/86 vs. 16/130, p = 0.0069). Ambulatory patients had a later onset of PDPH than in-patients (24 h [0.5-72] vs. 2 h [0.2-96], p = 0.0002) and the headache was more severe in these patients (NRS 7 [2-10] vs. NRS 3 [1-8], p = 0.0009). The use of 29-G compared with 25-G Quincke needles led to no reduction of PDPH and is considerably higher compared with data from pencil-point needles. The use of non-cutting or pencil-point spinal needles should become the standard for performing spinal saddle block.

  7. Singularities in the lineshape of a second-order perturbed quadrupolar nucleus and their use in data fitting.

    PubMed

    Field, Timothy R; Bain, Alex D

    2014-01-01

    Even for large quadrupolar interactions, the powder spectrum of the central transition for a half-integral spin is relatively narrow, because it is unperturbed to first order. However, the second-order perturbation is still orientation dependent, so it generates a characteristic lineshape. This lineshape has both finite step discontinuities and singularities where the spectrum is infinite, in theory. The relative positions of these features are well-known and they play an important role in fitting experimental data. However, there has been relatively little discussion of how high the steps are, so we present explicit formulae for these heights. This gives a full characterization of the features in this lineshape which can lead to an analysis of the spectrum without the usual laborious powder average. The transition frequency, as a function of the orientation angles, shows critical points: maxima, minima and saddle points. The maxima and minima correspond to the step discontinuities and the saddle points generate the singularities. Near a maximum, the contours are ellipses, whose dimensions are determined by the second derivatives of the frequency with respect to the polar and azimuthal angles. The density of points is smooth as the contour levels move up and down, but then drops to zero when a maximum is passed, giving a step. The height of the step is determined by the Hessian matrix-the matrix of all partial second derivatives. The points near the poles and the saddle points require a more detailed analysis, but this can still be done analytically. The resulting formulae are then compared to numerical simulations of the lineshape. We expand this calculation to include a relatively simple case where there is chemical shielding anisotropy and use this to fit experimental (139)La spectra of La2O3. Copyright © 2014 Elsevier Inc. All rights reserved.

  8. On the role of the termolecular reactions 2O2 + H2 → 2HO2 and 2O2 + H2 → H + HO2 + O2 in formation of the first radicals in hydrogen combustion: ab initio predictions of energy barriers.

    PubMed

    Monge-Palacios, M; Rafatijo, Homayoon

    2017-01-18

    We have investigated the role of termolecular reactions in the early chemistry of hydrogen combustion. We performed molecular chemical dynamics simulations using ReaxFF in LAMMPS to identify potential initial reactions for a 1 : 4 mixture of H 2  : O 2 in the NVT ensemble at density 276.3 kg m -3 and ∼3000 K (∼4000 atm) and ∼4000 K (∼5000 atm), and then characterized the saddle points for those reactions using ab initio methods: CCSD(T) = FC/cc-pVTZ//MP2/6-31G, CCSD(T) = FULL/aug-cc-pVTZ//CCSD = FC/cc-pVTZ and CASSCF MP2/6-31G//MP2/6-31G. The main initial reaction is H 2 + O 2 → H + HO 2 , frequently occurring in the presence of a second O 2 as a third body; that is, 2O 2 + H 2 → H + HO 2 + O 2 . The second most frequent reaction is 2O 2 + H 2 → 2HO 2 . We found three saddle points on the triplet PES of these termolecular reactions: one for 2O 2 + H 2 → H + HO 2 + O 2 and two for 2O 2 + H 2 → 2HO 2 . In the latter case, one has a symmetric structure consistent with simultaneous formation of two HO 2 and the other corresponds to a bimolecular reaction between O 2 and H 2 that is "interrupted" by a second O 2 before going to completion. The classical barrier height of the symmetric saddle point for 2O 2 + H 2 → 2HO 2 is 49.8 kcal mol -1 . The barrier to H 2 + O 2 → H + HO 2 is 58.9 kcal mol -1 . The termolecular reaction will be competitive with H 2 + O 2 → H + HO 2 only at sufficiently high pressures.

  9. Pulse bifurcations and instabilities in an excitable medium: Computations in finite ring domains

    NASA Astrophysics Data System (ADS)

    Or-Guil, M.; Krishnan, J.; Kevrekidis, I. G.; Bär, M.

    2001-10-01

    We investigate the instabilities and bifurcations of traveling pulses in a model excitable medium; in particular, we discuss three different scenarios involving either the loss of stability or disappearance of stable pulses. In numerical simulations beyond the instabilities we observe replication of pulses (``backfiring'') resulting in complex periodic or spatiotemporally chaotic dynamics as well as modulated traveling pulses. We approximate the linear stability of traveling pulses through computations in a finite albeit large domain with periodic boundary conditions. The critical eigenmodes at the onset of the instabilities are related to the resulting spatiotemporal dynamics and ``act'' upon the back of the pulses. The first scenario has been analyzed earlier [M. G. Zimmermann et al., Physica D 110, 92 (1997)] for high excitability (low excitation threshold): it involves the collision of a stable pulse branch with an unstable pulse branch in a so-called T point. In the framework of traveling wave ordinary differential equations, pulses correspond to homoclinic orbits and the T point to a double heteroclinic loop. We investigate this transition for a pulse in a domain with finite length and periodic boundary conditions. Numerical evidence of the proximity of the infinite-domain T point in this setup appears in the form of two saddle node bifurcations. Alternatively, for intermediate excitation threshold, an entire cascade of saddle nodes causing a ``spiraling'' of the pulse branch appears near the parameter values corresponding to the infinite-domain T point. Backfiring appears at the first saddle-node bifurcation, which limits the existence region of stable pulses. The third case found in the model for large excitation threshold is an oscillatory instability giving rise to ``breathing,'' traveling pulses that periodically vary in width and speed.

  10. Double-inversion mechanisms of the X⁻ + CH₃Y [X,Y = F, Cl, Br, I] SN2 reactions.

    PubMed

    Szabó, István; Czakó, Gábor

    2015-03-26

    The double-inversion and front-side attack transition states as well as the proton-abstraction channels of the X(-) + CH3Y [X,Y = F, Cl, Br, I] reactions are characterized by the explicitly correlated CCSD(T)-F12b/aug-cc-pVTZ(-PP) level of theory using small-core relativistic effective core potentials and the corresponding aug-cc-pVTZ-PP bases for Br and I. In the X = F case the double-inversion classical(adiabatic) barrier heights are 28.7(25.6), 15.8(13.4), 13.2(11.0), and 8.6(6.6) kcal mol(-1) for Y = F, Cl, Br, and I, respectively, whereas the barrier heights are in the 40-90 kcal mol(-1) range for the other 12 reactions. The abstraction channels are always above the double-inversion saddle points. For X = F, the front-side attack classical(adiabatic) barrier heights, 45.8(44.8), 31.0(30.3), 24.7(24.2), and 19.5(19.3) kcal mol(-1) for Y = F, Cl, Br, and I, respectively, are higher than the corresponding double-inversion ones, whereas for the other systems the front-side attack saddle points are in the 35-70 kcal mol(-1) range. The double-inversion transition states have XH···CH2Y(-) structures with Cs point-group symmetry, and the front-side attack saddle points have either Cs (X = F or X = Y) or C1 symmetry with XCY angles in the 78-88° range. On the basis of the previous reaction dynamics simulations and the minimum energy path computations along the inversion coordinate of selected XH···CH2Y(-) systems, we suggest that the double inversion may be a general mechanism for SN2 reactions.

  11. Singular Differential Game Numerical Technique and Closed Loop Guidance and Control Strategies,

    DTIC Science & Technology

    1982-03-01

    zero sum games one player tries to minimize and the other player tries to maxwm e payoff functions. In such games a saddle point solu- tion is sought...period- ically in a a-all time interval At tK - ti, i - O,,. e . Whe the game starts running, the pursuer takes a measurement at t 1 t 0 + At and...Loop Solutions to Non-Linear-Zero-Sum Differential Games ," Int. J. Syst., Vol. 7 (5), 1976. 41 . Johnson, D. E ., Convergence Properties of the Method

  12. Method And Apparatus For High Resolution Ex-Situ Nmr Spectroscopy

    DOEpatents

    Pines, Alexander; Meriles, Carlos A.; Heise, Henrike; Sakellariou, Dimitrios; Moule, Adam

    2004-01-06

    A method and apparatus for ex-situ nuclear magnetic resonance spectroscopy for use on samples outside the physical limits of the magnets in inhomogeneous static and radio-frequency fields. Chemical shift spectra can be resolved with the method using sequences of correlated, composite z-rotation pulses in the presence of spatially matched static and radio frequency field gradients producing nutation echoes. The amplitude of the echoes is modulated by the chemical shift interaction and an inhomogeneity free FID may be recovered by stroboscopically sampling the maxima of the echoes. In an alternative embodiment, full-passage adiabatic pulses are consecutively applied. One embodiment of the apparatus generates a static magnetic field that has a variable saddle point.

  13. Which Way Is the Flow?

    NASA Technical Reports Server (NTRS)

    Kao, David

    1999-01-01

    The line integral convolution (LIC) technique has been known to be an effective tool for depicting flow patterns in a given vector field. There have been many extensions to make it run faster and reveal useful flow information such as velocity magnitude, motion, and direction. There are also extensions to unsteady flows and 3D vector fields. Surprisingly, none of these extensions automatically highlight flow features, which often represent the most important and interesting physical flow phenomena. In this sketch, a method for highlighting flow direction in LIC images is presented. The method gives an intuitive impression of flow direction in the given vector field and automatically reveals saddle points in the flow.

  14. Forces and pressures beneath the saddle during mounting from the ground and from a raised mounting platform.

    PubMed

    Geutjens, C A; Clayton, H M; Kaiser, L J

    2008-03-01

    The objective was to use an electronic pressure mat to measure and compare forces and pressures of the saddle on a horse's back when riders mounted from the ground and with the aid of a mounting platform. Ten riders mounted a horse three times each from the ground and from a 35 cm high mounting platform in random order. Total force (summation of forces over all 256 sensors) was measured and compared at specific points on the force-time curve. Total force was usually highest as the rider's right leg was swinging upwards and was correlated with rider mass. When normalized to rider mass, total force and peak pressure were significantly higher when mounting from the ground than from a raised platform (P<0.05). The area of highest pressure was on the right side of the withers in 97% of mounting efforts, confirming the importance of the withers in stabilizing the saddle during mounting.

  15. Limit Cycle Bifurcations Near a Piecewise Smooth Generalized Homoclinic Loop with a Saddle-Fold Point

    NASA Astrophysics Data System (ADS)

    Liang, Feng; Wang, Dechang

    In this paper, we suppose that a planar piecewise Hamiltonian system, with a straight line of separation, has a piecewise generalized homoclinic loop passing through a Saddle-Fold point, and assume that there exists a family of piecewise smooth periodic orbits near the loop. By studying the asymptotic expansion of the first order Melnikov function corresponding to the period annulus, we obtain the formulas of the first six coefficients in the expansion, based on which, we provide a lower bound for the maximal number of limit cycles bifurcated from the period annulus. As applications, two concrete systems are considered. Especially, the first one reveals that a quadratic piecewise Hamiltonian system can have five limit cycles near a generalized homoclinic loop under a quadratic piecewise smooth perturbation. Compared with the smooth case [Horozov & Iliev, 1994; Han et al., 1999], three more limit cycles are found.

  16. Development of manufacturing methods for the production of superconductive devices. Final technical documentary report, 28 Jun 1965--27 Jun 1969. [Plasma arc process

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Haid, D.A.; Fietz, W.A.

    1969-06-01

    The effort to scale-up the plasma-arc process to produce large solenoids and saddle coils is described. Large coils (up to 16-/sup 3///sub 4/ in. and 41-in. length) of three different configurations, helical, ''pancake'' and ''saddle,'' were fabricated using the plasma arc process.

  17. First-principles investigation of point defect and atomic diffusion in Al2Ca

    NASA Astrophysics Data System (ADS)

    Tian, Xiao; Wang, Jia-Ning; Wang, Ya-Ping; Shi, Xue-Feng; Tang, Bi-Yu

    2017-04-01

    Point defects and atomic diffusion in Al2Ca have been studied from first-principles calculations within density functional framework. After formation energy and relative stability of point defects are investigated, several predominant diffusion processes in Al2Ca are studied, including sublattice one-step mechanism, 3-jump vacancy cycles and antistructure sublattice mechanism. The associated energy profiles are calculated with climbing image nudged elastic band (CI-NEB) method, then the saddle points and activation barriers during atomic diffusion are further determined. The resulted activation barriers show that both Al and Ca can diffuse mainly mediated by neighbor vacancy on their own sublattice. 3-jump cycle mechanism mediated by VCa may make some contribution to the overall Al diffusion. And antistructure (AS) sublattice mechanism can also play an important role in Ca atomic diffusion owing to the moderate activation barrier.

  18. Parallel Computation of Flow in Heterogeneous Media Modelled by Mixed Finite Elements

    NASA Astrophysics Data System (ADS)

    Cliffe, K. A.; Graham, I. G.; Scheichl, R.; Stals, L.

    2000-11-01

    In this paper we describe a fast parallel method for solving highly ill-conditioned saddle-point systems arising from mixed finite element simulations of stochastic partial differential equations (PDEs) modelling flow in heterogeneous media. Each realisation of these stochastic PDEs requires the solution of the linear first-order velocity-pressure system comprising Darcy's law coupled with an incompressibility constraint. The chief difficulty is that the permeability may be highly variable, especially when the statistical model has a large variance and a small correlation length. For reasonable accuracy, the discretisation has to be extremely fine. We solve these problems by first reducing the saddle-point formulation to a symmetric positive definite (SPD) problem using a suitable basis for the space of divergence-free velocities. The reduced problem is solved using parallel conjugate gradients preconditioned with an algebraically determined additive Schwarz domain decomposition preconditioner. The result is a solver which exhibits a good degree of robustness with respect to the mesh size as well as to the variance and to physically relevant values of the correlation length of the underlying permeability field. Numerical experiments exhibit almost optimal levels of parallel efficiency. The domain decomposition solver (DOUG, http://www.maths.bath.ac.uk/~parsoft) used here not only is applicable to this problem but can be used to solve general unstructured finite element systems on a wide range of parallel architectures.

  19. Upscaling of Mixed Finite Element Discretization Problems by the Spectral AMGe Method

    DOE PAGES

    Kalchev, Delyan Z.; Lee, C. S.; Villa, U.; ...

    2016-09-22

    Here, we propose two multilevel spectral techniques for constructing coarse discretization spaces for saddle-point problems corresponding to PDEs involving a divergence constraint, with a focus on mixed finite element discretizations of scalar self-adjoint second order elliptic equations on general unstructured grids. We use element agglomeration algebraic multigrid (AMGe), which employs coarse elements that can have nonstandard shape since they are agglomerates of fine-grid elements. The coarse basis associated with each agglomerated coarse element is constructed by solving local eigenvalue problems and local mixed finite element problems. This construction leads to stable upscaled coarse spaces and guarantees the inf-sup compatibility ofmore » the upscaled discretization. Also, the approximation properties of these upscaled spaces improve by adding more local eigenfunctions to the coarse spaces. The higher accuracy comes at the cost of additional computational effort, as the sparsity of the resulting upscaled coarse discretization (referred to as operator complexity) deteriorates when we introduce additional functions in the coarse space. We also provide an efficient solver for the coarse (upscaled) saddle-point system by employing hybridization, which leads to a symmetric positive definite (s.p.d.) reduced system for the Lagrange multipliers, and to solve the latter s.p.d. system, we use our previously developed spectral AMGe solver. Numerical experiments, in both two and three dimensions, are provided to illustrate the efficiency of the proposed upscaling technique.« less

  20. Upscaling of Mixed Finite Element Discretization Problems by the Spectral AMGe Method

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kalchev, Delyan Z.; Lee, C. S.; Villa, U.

    Here, we propose two multilevel spectral techniques for constructing coarse discretization spaces for saddle-point problems corresponding to PDEs involving a divergence constraint, with a focus on mixed finite element discretizations of scalar self-adjoint second order elliptic equations on general unstructured grids. We use element agglomeration algebraic multigrid (AMGe), which employs coarse elements that can have nonstandard shape since they are agglomerates of fine-grid elements. The coarse basis associated with each agglomerated coarse element is constructed by solving local eigenvalue problems and local mixed finite element problems. This construction leads to stable upscaled coarse spaces and guarantees the inf-sup compatibility ofmore » the upscaled discretization. Also, the approximation properties of these upscaled spaces improve by adding more local eigenfunctions to the coarse spaces. The higher accuracy comes at the cost of additional computational effort, as the sparsity of the resulting upscaled coarse discretization (referred to as operator complexity) deteriorates when we introduce additional functions in the coarse space. We also provide an efficient solver for the coarse (upscaled) saddle-point system by employing hybridization, which leads to a symmetric positive definite (s.p.d.) reduced system for the Lagrange multipliers, and to solve the latter s.p.d. system, we use our previously developed spectral AMGe solver. Numerical experiments, in both two and three dimensions, are provided to illustrate the efficiency of the proposed upscaling technique.« less

  1. Real-time Feynman path integral with Picard–Lefschetz theory and its applications to quantum tunneling

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Tanizaki, Yuya, E-mail: yuya.tanizaki@riken.jp; Theoretical Research Division, Nishina Center, RIKEN, Wako 351-0198; Koike, Takayuki, E-mail: tkoike@ms.u-tokyo.ac.jp

    Picard–Lefschetz theory is applied to path integrals of quantum mechanics, in order to compute real-time dynamics directly. After discussing basic properties of real-time path integrals on Lefschetz thimbles, we demonstrate its computational method in a concrete way by solving three simple examples of quantum mechanics. It is applied to quantum mechanics of a double-well potential, and quantum tunneling is discussed. We identify all of the complex saddle points of the classical action, and their properties are discussed in detail. However a big theoretical difficulty turns out to appear in rewriting the original path integral into a sum of path integralsmore » on Lefschetz thimbles. We discuss generality of that problem and mention its importance. Real-time tunneling processes are shown to be described by those complex saddle points, and thus semi-classical description of real-time quantum tunneling becomes possible on solid ground if we could solve that problem. - Highlights: • Real-time path integral is studied based on Picard–Lefschetz theory. • Lucid demonstration is given through simple examples of quantum mechanics. • This technique is applied to quantum mechanics of the double-well potential. • Difficulty for practical applications is revealed, and we discuss its generality. • Quantum tunneling is shown to be closely related to complex classical solutions.« less

  2. Chiral interface at the finite temperature transition point of QCD

    NASA Technical Reports Server (NTRS)

    Frei, Z.; Patkos, A.

    1990-01-01

    The domain wall between coexisting chirally symmetric and broken symmetry regions is studied in a saddle point approximation to the effective three-flavor sigma model. In the chiral limit the surface tension varies in the range ((40 to -50)MeV)(exp 3). The width of the domain wall is estimated to be approximately or equal to 4.5 fm.

  3. Zero-point Energy is Needed in Molecular Dynamics Calculations to Access the Saddle Point for H+HCN→H2CN* and cis/trans-HCNH* on a New Potential Energy Surface.

    PubMed

    Wang, Xiaohong; Bowman, Joel M

    2013-02-12

    We calculate the probabilities for the association reactions H+HCN→H2CN* and cis/trans-HCNH*, using quasiclassical trajectory (QCT) and classical trajectory (CT) calculations, on a new global ab initio potential energy surface (PES) for H2CN including the reaction channels. The surface is a linear least-squares fit of roughly 60 000 CCSD(T)-F12b/aug-cc-pVDZ electronic energies, using a permutationally invariant basis with Morse-type variables. The reaction probabilities are obtained at a variety of collision energies and impact parameters. Large differences in the threshold energies in the two types of dynamics calculations are traced to the absence of zero-point energy in the CT calculations. We argue that the QCT threshold energy is the realistic one. In addition, trajectories find a direct pathway to trans-HCNH, even though there is no obvious transition state (TS) for this pathway. Instead the saddle point (SP) for the addition to cis-HCNH is evidently also the TS for direct formation of trans-HCNH.

  4. Uncovering the Geometry of Barrierless Reactions Using Lagrangian Descriptors.

    PubMed

    Junginger, Andrej; Hernandez, Rigoberto

    2016-03-03

    Transition-state theories describing barrierless chemical reactions, or more general activated problems, are often hampered by the lack of a saddle around which the dividing surface can be constructed. For example, the time-dependent transition-state trajectory uncovering the nonrecrossing dividing surface in thermal reactions in the framework of the Langevin equation has relied on perturbative approaches in the vicinity of the saddle. We recently obtained an alternative approach using Lagrangian descriptors to construct time-dependent and recrossing-free dividing surfaces. This is a nonperturbative approach making no reference to a putative saddle. Here we show how the Lagrangian descriptor can be used to obtain the transition-state geometry of a dissipated and thermalized reaction across barrierless potentials. We illustrate the method in the case of a 1D Brownian motion for both barrierless and step potentials; however, the method is not restricted and can be directly applied to different kinds of potentials and higher dimensional systems.

  5. Automated Transition State Theory Calculations for High-Throughput Kinetics.

    PubMed

    Bhoorasingh, Pierre L; Slakman, Belinda L; Seyedzadeh Khanshan, Fariba; Cain, Jason Y; West, Richard H

    2017-09-21

    A scarcity of known chemical kinetic parameters leads to the use of many reaction rate estimates, which are not always sufficiently accurate, in the construction of detailed kinetic models. To reduce the reliance on these estimates and improve the accuracy of predictive kinetic models, we have developed a high-throughput, fully automated, reaction rate calculation method, AutoTST. The algorithm integrates automated saddle-point geometry search methods and a canonical transition state theory kinetics calculator. The automatically calculated reaction rates compare favorably to existing estimated rates. Comparison against high level theoretical calculations show the new automated method performs better than rate estimates when the estimate is made by a poor analogy. The method will improve by accounting for internal rotor contributions and by improving methods to determine molecular symmetry.

  6. 27 CFR 9.203 - Saddle Rock-Malibu.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2011-04-01 2011-04-01 false Saddle Rock-Malibu. 9.203... Saddle Rock-Malibu. (a) Name. The name of the viticultural area described in this section is “Saddle Rock-Malibu”. For purposes of part 4 of this chapter, “Saddle Rock-Malibu” is a term of viticultural...

  7. 27 CFR 9.203 - Saddle Rock-Malibu.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2013-04-01 2013-04-01 false Saddle Rock-Malibu. 9.203... Saddle Rock-Malibu. (a) Name. The name of the viticultural area described in this section is “Saddle Rock-Malibu”. For purposes of part 4 of this chapter, “Saddle Rock-Malibu” is a term of viticultural...

  8. 27 CFR 9.203 - Saddle Rock-Malibu.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2012-04-01 2012-04-01 false Saddle Rock-Malibu. 9.203... Saddle Rock-Malibu. (a) Name. The name of the viticultural area described in this section is “Saddle Rock-Malibu”. For purposes of part 4 of this chapter, “Saddle Rock-Malibu” is a term of viticultural...

  9. 27 CFR 9.203 - Saddle Rock-Malibu.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2010-04-01 2010-04-01 false Saddle Rock-Malibu. 9.203... Saddle Rock-Malibu. (a) Name. The name of the viticultural area described in this section is “Saddle Rock-Malibu”. For purposes of part 4 of this chapter, “Saddle Rock-Malibu” is a term of viticultural...

  10. 27 CFR 9.203 - Saddle Rock-Malibu.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2014-04-01 2014-04-01 false Saddle Rock-Malibu. 9.203... Saddle Rock-Malibu. (a) Name. The name of the viticultural area described in this section is “Saddle Rock-Malibu”. For purposes of part 4 of this chapter, “Saddle Rock-Malibu” is a term of viticultural...

  11. Typical entanglement

    NASA Astrophysics Data System (ADS)

    Deelan Cunden, Fabio; Facchi, Paolo; Florio, Giuseppe; Pascazio, Saverio

    2013-05-01

    Let a pure state | ψ> be chosen randomly in an NM-dimensional Hilbert space, and consider the reduced density matrix ρ A of an N-dimensional subsystem. The bipartite entanglement properties of | ψ> are encoded in the spectrum of ρ A . By means of a saddle point method and using a "Coulomb gas" model for the eigenvalues, we obtain the typical spectrum of reduced density matrices. We consider the cases of an unbiased ensemble of pure states and of a fixed value of the purity. We finally obtain the eigenvalue distribution by using a statistical mechanics approach based on the introduction of a partition function.

  12. The uniform asymptotic swallowtail approximation - Practical methods for oscillating integrals with four coalescing saddle points

    NASA Technical Reports Server (NTRS)

    Connor, J. N. L.; Curtis, P. R.; Farrelly, D.

    1984-01-01

    Methods that can be used in the numerical implementation of the uniform swallowtail approximation are described. An explicit expression for that approximation is presented to the lowest order, showing that there are three problems which must be overcome in practice before the approximation can be applied to any given problem. It is shown that a recently developed quadrature method can be used for the accurate numerical evaluation of the swallowtail canonical integral and its partial derivatives. Isometric plots of these are presented to illustrate some of their properties. The problem of obtaining the arguments of the swallowtail integral from an analytical function of its argument is considered, describing two methods of solving this problem. The asymptotic evaluation of the butterfly canonical integral is addressed.

  13. Acoustic-to-Seismic Coupling Over Porous Ground Surfaces.

    DTIC Science & Technology

    1984-01-01

    of sound into the ground is predicted for both spherical and plane acoustic waves incident upon two models of the ground viz i) a rigid porous solid...and soils of above-ground acoustic disturbances. Furthermore it is found possible to predict the results of model measurements using continuous and...saddle point 2.4 The geometrical wave 2.5 The lateral wave 2.6 Special cases 3. POINT TO POINT PROPAGATION MEASUREMENTS USING ACOUSTIC MODELLING " 3.0

  14. Complexes and saddle point structures, vibrational frequencies and relative energies of intermediates for CH2Br + HBr «-» CH3Br + Br

    NASA Astrophysics Data System (ADS)

    Espinosa-Garcia, J.

    Ab initio molecular orbital theory was used to study parts of the reaction between the CH2Br radical and the HBr molecule, and two possibilities were analysed: attack on the hydrogen and attack on the bromine of the HBr molecule. Optimized geometries and harmonic vibrational frequencies were calculated at the second-order Moller-Plesset perturbation theory levels, and comparison with available experimental data was favourable. Then single-point calculations were performed at several higher levels of calculation. In the attack on the hydrogen of HBr, two stationary points were located on the direct hydrogen abstraction reaction path: a very weak hydrogen bonded complex of reactants, C···HBr, close to the reactants, followed by the saddle point (SP). The effects of level of calculation (method + basis set), spin projection, zeropoint energy, thermal corrections (298K), spin-orbit coupling and basis set superposition error (BSSE) on the energy changes were analysed. Taking the reaction enthalpy (298K) as reference, agreement with experiment was obtained only when high correlation energy and large basis sets were used. It was concluded that at room temperature (i.e., with zero-point energy and thermal corrections), when the BSSE was included, the complex disappears and the activation enthalpy (298K) ranges from 0.8kcal mol-1 to 1.4kcal mol-1 above the reactants, depending on the level of calculation. It was concluded also that this result is the balance of a complicated interplay of many factors, which are affected by uncertainties in the theoretical calculations. Finally, another possible complex (X complex), which involves the alkyl radical being attracted to the halogen end of HBr (C···BrH), was explored also. It was concluded that this X complex does not exist at room temperature.

  15. An ab initio study of the potential energy surface in the S 1 state of 2-hydroxypyridine

    NASA Astrophysics Data System (ADS)

    Sobolewski, Andrzej L.; Adamowicz, Ludwik

    1996-12-01

    The potential energy (PE) surface of the lowest excited singlet state relevant to the photophysics of interconversion of the 2-hydroxypyridine/2 (1H)-pyridinone (2HP/2PY) system is characterized by ab initio calculations. The geometry optimizations in the S 1 state performed at the CIS/6-31G (d,p) level confirm the experimental findings that the 2HP form is planar in this state whereas the 2PY form is significantly out-of-plane distorted. The lowest-energy first-order saddle-points which are relevant to the photophysics of the "mobile" hydrogen atom on the S 1 PE surface lead toward its dissociation from the molecule. There is no saddle-point for a "direct" proton transfer reaction on the S 1 PE surface leading from the 2HP form to the 2PY form. The results confirm the hypothesis that the photo-induced dissociation-association (PIDA) mechanism is probably responsible for the excited-state tautomerization observed in this system.

  16. Electronic structure and molecular dynamics of Na2Li

    NASA Astrophysics Data System (ADS)

    Malcolm, Nathaniel O. J.; McDouall, Joseph J. W.

    Following the first report (Mile, B., Sillman, P. D., Yacob, A. R. and Howard, J. A., 1996, J. chem. Soc. Dalton Trans , 653) of the EPR spectrum of the mixed alkali-metal trimer Na2Li a detailed study has been made of the electronic structure and structural dynamics of this species. Two isomeric forms have been found: one of the type, Na-Li-Na, of C , symmetry and another, Li-Na-Na, of C symmetry. Also, there are two linear saddle points which correspond to 'inversion' transition structures, and a saddle point of C symmetry which connects the two minima. A molecular dynamics investigation of these species shows that, at the temperature of the reported experiments (170 K), the C minimum is not 'static', but undergoes quite rapid inversion. At higher temperatures the C minimum converts to the C form, but by a mechanism very different from that suggested by minimum energy path considerations. 2 2v s s 2v 2v s

  17. Importance of the van Hove singularity in superconducting PdTe2

    NASA Astrophysics Data System (ADS)

    Kim, Kyoo; Kim, Sooran; Kim, J. S.; Kim, Heejung; Park, J.-H.; Min, B. I.

    2018-04-01

    We have investigated the electronic, phononic, and superconducting properties of the transition-metal dichalcogenide superconductor PdTe2, and explored the origin of different superconducting behaviors between PdTe2 and its isostructural PtTe2 that is nonsuperconducting. We have found that the saddle-point van Hove singularity (vHs) near the Fermi level, which interacts strongly with Te phonon modes, plays an important role in the BCS-type superconductivity of PdTe2. We show that, with electron doping, the vHs in PdTe2 shifts down toward the Fermi level to enhance Tc, as is consistent with the observed enhancement of Tc in Cu-doped PdTe2. We ascribe the absence of superconductivity in PtTe2 to the different dispersion behavior of the saddle-point vHs band from that of PdTe2. We also suggest that this difference in the vHs band behaviors is responsible for the different structural responses of PdTe2 and PtTe2 to external pressure.

  18. How does the cosmic web impact assembly bias?

    NASA Astrophysics Data System (ADS)

    Musso, M.; Cadiou, C.; Pichon, C.; Codis, S.; Kraljic, K.; Dubois, Y.

    2018-06-01

    The mass, accretion rate, and formation time of dark matter haloes near protofilaments (identified as saddle points of the potential) are analytically predicted using a conditional version of the excursion set approach in its so-called upcrossing approximation. The model predicts that at fixed mass, mass accretion rate and formation time vary with orientation and distance from the saddle, demonstrating that assembly bias is indeed influenced by the tides imposed by the cosmic web. Starved, early-forming haloes of smaller mass lie preferentially along the main axis of filaments, while more massive and younger haloes are found closer to the nodes. Distinct gradients for distinct tracers such as typical mass and accretion rate occur because the saddle condition is anisotropic, and because the statistics of these observables depend on both the conditional means and their covariances. The theory is extended to other critical points of the potential field. The response of the mass function to variations of the matter density field (the so-called large-scale bias) is computed, and its trend with accretion rate is shown to invert along the filament. The signature of this model should correspond at low redshift to an excess of reddened galactic hosts at fixed mass along preferred directions, as recently reported in spectroscopic and photometric surveys and in hydrodynamical simulations. The anisotropy of the cosmic web emerges therefore as a significant ingredient to describe jointly the dynamics and physics of galaxies, e.g. in the context of intrinsic alignments or morphological diversity.

  19. Variationally consistent discretization schemes and numerical algorithms for contact problems

    NASA Astrophysics Data System (ADS)

    Wohlmuth, Barbara

    We consider variationally consistent discretization schemes for mechanical contact problems. Most of the results can also be applied to other variational inequalities, such as those for phase transition problems in porous media, for plasticity or for option pricing applications from finance. The starting point is to weakly incorporate the constraint into the setting and to reformulate the inequality in the displacement in terms of a saddle-point problem. Here, the Lagrange multiplier represents the surface forces, and the constraints are restricted to the boundary of the simulation domain. Having a uniform inf-sup bound, one can then establish optimal low-order a priori convergence rates for the discretization error in the primal and dual variables. In addition to the abstract framework of linear saddle-point theory, complementarity terms have to be taken into account. The resulting inequality system is solved by rewriting it equivalently by means of the non-linear complementarity function as a system of equations. Although it is not differentiable in the classical sense, semi-smooth Newton methods, yielding super-linear convergence rates, can be applied and easily implemented in terms of a primal-dual active set strategy. Quite often the solution of contact problems has a low regularity, and the efficiency of the approach can be improved by using adaptive refinement techniques. Different standard types, such as residual- and equilibrated-based a posteriori error estimators, can be designed based on the interpretation of the dual variable as Neumann boundary condition. For the fully dynamic setting it is of interest to apply energy-preserving time-integration schemes. However, the differential algebraic character of the system can result in high oscillations if standard methods are applied. A possible remedy is to modify the fully discretized system by a local redistribution of the mass. Numerical results in two and three dimensions illustrate the wide range of possible applications and show the performance of the space discretization scheme, non-linear solver, adaptive refinement process and time integration.

  20. Unsteady fluid dynamics around a hovering wing

    NASA Astrophysics Data System (ADS)

    Krishna, Swathi; Green, Melissa; Mulleners, Karen

    2017-11-01

    The unsteady flow around a hovering flat plate wing has been investigated experimentally using particle image velocimetry and direct force measurements. The measurements are conducted on a wing that rotates symmetrically about the stroke reversal at a reduced frequency of k = 0.32 and Reynolds number of Re = 220 . The Lagrangian finite-time Lyapunov exponent method is used to analyse the unsteady flow fields by identifying dynamically relevant flow features such as the primary leading edge vortex (LEV), secondary vortices, and topological saddles, and their evolution within a flapping cycle. The flow evolution is divided into four stages that are characterised by the LEV (a)emergence, (b)growth, (c)lift-off, and (d)breakdown and decay. Tracking saddle points is shown to be helpful in defining the LEV lift-off which occurs at the maximum stroke velocity. The flow fields are correlated with the aerodynamic forces revealing that the maximum lift and drag are observed just before LEV lift-off. The end of wing rotation in the beginning of the stroke stimulates a change in the direction of the LEV growth and the start of rotation at the end of the stroke triggers the breakdown of the LEV.

  1. Using Lin's method to solve Bykov's problems

    NASA Astrophysics Data System (ADS)

    Knobloch, Jürgen; Lamb, Jeroen S. W.; Webster, Kevin N.

    2014-10-01

    We consider nonwandering dynamics near heteroclinic cycles between two hyperbolic equilibria. The constituting heteroclinic connections are assumed to be such that one of them is transverse and isolated. Such heteroclinic cycles are associated with the termination of a branch of homoclinic solutions, and called T-points in this context. We study codimension-two T-points and their unfoldings in Rn. In our consideration we distinguish between cases with real and complex leading eigenvalues of the equilibria. In doing so we establish Lin's method as a unified approach to (re)gain and extend results of Bykov's seminal studies and related works. To a large extent our approach reduces the study to the discussion of intersections of lines and spirals in the plane. Case (RR): Under open conditions on the eigenvalues, there exist open sets in parameter space for which there exist periodic orbits close to the heteroclinic cycle. In addition, there exist two one-parameter families of homoclinic orbits to each of the saddle points p1 and p2.See Theorem 2.1 and Proposition 2.2 for precise statements and Fig. 2 for bifurcation diagrams. Cases (RC) and (CC): At the bifurcation point μ=0 and for each N≥2, there exists an invariant set S0N close to the heteroclinic cycle on which the first return map is topologically conjugated to a full shift on N symbols. For any fixed N≥2, the invariant set SμN persists for |μ| sufficiently small.In addition, there exist infinitely many transversal and non-transversal heteroclinic orbits connecting the saddle points p1 and p2 in a neighbourhood of μ=0, as well as infinitely many one-parameter families of homoclinic orbits to each of the saddle points.For full statements of the results see Theorem 2.3 and Propositions 2.4, 2.5 and Fig. 3 for bifurcation diagrams. The dynamics near T-points has been studied previously by Bykov [6-10], Glendinning and Sparrow [20], Kokubu [27,28] and Labouriau and Rodrigues [30,31,38]. See also the surveys by Homburg and Sandstede [24], Shilnikov et al. [43] and Fiedler [18]. The occurrence of T-points in local bifurcations has been discussed by Barrientos et al. [4], and by Lamb et al. [32] in the context of reversible systems. All these studies consider dynamics in R3 using a geometric return map approach, and their results reflect the description of types of nonwandering dynamics described above.Further related studies concerning T-points can be found in [34] and [37], where inclination flips were considered in this context. In [5], numerical studies of T-points are performed using kneading invariants.The main aim of this paper is to present a comprehensive study of dynamics near T-points, including detailed proofs of all results, employing a unified functional-analytic approach, without making any assumption on the dimension of the phase space. In the process, we recover and generalise to higher dimensional settings all previously reported results for T-points in R3. In addition, we reveal the existence of richer dynamics in the (RC) and (CC) cases. A detailed discussion of our results is contained in Section 2.The functional analytic approach we follow is commonly referred to as Lin's method, after the seminal paper by Lin [33], and employs a reduction on an appropriate Banach space of piecewise continuous functions approximating the initial heteroclinic cycle to yield bifurcation equations whose solutions represent orbits of the nonwandering set. The development of such an approach is typical for the school of Hale, and is in contrast to the analysis contained in previous T-point studies, which relies on the construction of a first return map. Our choice of analytical framework is motivated by the fact that Lin's method provides a unified approach to study global bifurcations in arbitrary dimension, and has been shown to extend to a larger class of settings, such as delay and advance-delay equations [19,33].

  2. An algorithm to locate optimal bond breaking points on a potential energy surface for applications in mechanochemistry and catalysis.

    PubMed

    Bofill, Josep Maria; Ribas-Ariño, Jordi; García, Sergio Pablo; Quapp, Wolfgang

    2017-10-21

    The reaction path of a mechanically induced chemical transformation changes under stress. It is well established that the force-induced structural changes of minima and saddle points, i.e., the movement of the stationary points on the original or stress-free potential energy surface, can be described by a Newton Trajectory (NT). Given a reactive molecular system, a well-fitted pulling direction, and a sufficiently large value of the force, the minimum configuration of the reactant and the saddle point configuration of a transition state collapse at a point on the corresponding NT trajectory. This point is called barrier breakdown point or bond breaking point (BBP). The Hessian matrix at the BBP has a zero eigenvector which coincides with the gradient. It indicates which force (both in magnitude and direction) should be applied to the system to induce the reaction in a barrierless process. Within the manifold of BBPs, there exist optimal BBPs which indicate what is the optimal pulling direction and what is the minimal magnitude of the force to be applied for a given mechanochemical transformation. Since these special points are very important in the context of mechanochemistry and catalysis, it is crucial to develop efficient algorithms for their location. Here, we propose a Gauss-Newton algorithm that is based on the minimization of a positively defined function (the so-called σ-function). The behavior and efficiency of the new algorithm are shown for 2D test functions and for a real chemical example.

  3. A complex fermionic tensor model in d dimensions

    NASA Astrophysics Data System (ADS)

    Prakash, Shiroman; Sinha, Ritam

    2018-02-01

    In this note, we study a melonic tensor model in d dimensions based on three-index Dirac fermions with a four-fermion interaction. Summing the melonic diagrams at strong coupling allows one to define a formal large- N saddle point in arbitrary d and calculate the spectrum of scalar bilinear singlet operators. For d = 2 - ɛ the theory is an infrared fixed point, which we find has a purely real spectrum that we determine numerically for arbitrary d < 2, and analytically as a power series in ɛ. The theory appears to be weakly interacting when ɛ is small, suggesting that fermionic tensor models in 1-dimension can be studied in an ɛ expansion. For d > 2, the spectrum can still be calculated using the saddle point equations, which may define a formal large- N ultraviolet fixed point analogous to the Gross-Neveu model in d > 2. For 2 < d < 6, we find that the spectrum contains at least one complex scalar eigenvalue (similar to the complex eigenvalue present in the bosonic tensor model recently studied by Giombi, Klebanov and Tarnopolsky) which indicates that the theory is unstable. We also find that the fixed point is weakly-interacting when d = 6 (or more generally d = 4 n + 2) and has a real spectrum for 6 < d < 6 .14 which we present as a power series in ɛ in 6 + ɛ dimensions.

  4. An instability of the standard model of cosmology creates the anomalous acceleration without dark energy

    NASA Astrophysics Data System (ADS)

    Smoller, Joel; Temple, Blake; Vogler, Zeke

    2017-11-01

    We identify the condition for smoothness at the centre of spherically symmetric solutions of Einstein's original equations without the cosmological constant or dark energy. We use this to derive a universal phase portrait which describes general, smooth, spherically symmetric solutions near the centre of symmetry when the pressure p=0. In this phase portrait, the critical k=0 Friedmann space-time appears as a saddle rest point which is unstable to spherical perturbations. This raises the question as to whether the Friedmann space-time is observable by redshift versus luminosity measurements looking outwards from any point. The unstable manifold of the saddle rest point corresponding to Friedmann describes the evolution of local uniformly expanding space-times whose accelerations closely mimic the effects of dark energy. A unique simple wave perturbation from the radiation epoch is shown to trigger the instability, match the accelerations of dark energy up to second order and distinguish the theory from dark energy at third order. In this sense, anomalous accelerations are not only consistent with Einstein's original theory of general relativity, but are a prediction of it without the cosmological constant or dark energy.

  5. An instability of the standard model of cosmology creates the anomalous acceleration without dark energy.

    PubMed

    Smoller, Joel; Temple, Blake; Vogler, Zeke

    2017-11-01

    We identify the condition for smoothness at the centre of spherically symmetric solutions of Einstein's original equations without the cosmological constant or dark energy. We use this to derive a universal phase portrait which describes general, smooth, spherically symmetric solutions near the centre of symmetry when the pressure p =0. In this phase portrait, the critical k =0 Friedmann space-time appears as a saddle rest point which is unstable to spherical perturbations. This raises the question as to whether the Friedmann space-time is observable by redshift versus luminosity measurements looking outwards from any point. The unstable manifold of the saddle rest point corresponding to Friedmann describes the evolution of local uniformly expanding space-times whose accelerations closely mimic the effects of dark energy. A unique simple wave perturbation from the radiation epoch is shown to trigger the instability, match the accelerations of dark energy up to second order and distinguish the theory from dark energy at third order. In this sense, anomalous accelerations are not only consistent with Einstein's original theory of general relativity, but are a prediction of it without the cosmological constant or dark energy.

  6. 36 CFR 34.10 - Saddle and pack animals.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 36 Parks, Forests, and Public Property 1 2014-07-01 2014-07-01 false Saddle and pack animals. 34... INTERIOR EL PORTAL ADMINISTRATIVE SITE REGULATIONS § 34.10 Saddle and pack animals. The use of saddle and pack animals is prohibited without a permit from the Superintendent. ...

  7. 36 CFR 34.10 - Saddle and pack animals.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 36 Parks, Forests, and Public Property 1 2011-07-01 2011-07-01 false Saddle and pack animals. 34... INTERIOR EL PORTAL ADMINISTRATIVE SITE REGULATIONS § 34.10 Saddle and pack animals. The use of saddle and pack animals is prohibited without a permit from the Superintendent. ...

  8. 36 CFR 34.10 - Saddle and pack animals.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 36 Parks, Forests, and Public Property 1 2013-07-01 2013-07-01 false Saddle and pack animals. 34... INTERIOR EL PORTAL ADMINISTRATIVE SITE REGULATIONS § 34.10 Saddle and pack animals. The use of saddle and pack animals is prohibited without a permit from the Superintendent. ...

  9. 36 CFR 34.10 - Saddle and pack animals.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 36 Parks, Forests, and Public Property 1 2012-07-01 2012-07-01 false Saddle and pack animals. 34... INTERIOR EL PORTAL ADMINISTRATIVE SITE REGULATIONS § 34.10 Saddle and pack animals. The use of saddle and pack animals is prohibited without a permit from the Superintendent. ...

  10. 36 CFR 34.10 - Saddle and pack animals.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 36 Parks, Forests, and Public Property 1 2010-07-01 2010-07-01 false Saddle and pack animals. 34... INTERIOR EL PORTAL ADMINISTRATIVE SITE REGULATIONS § 34.10 Saddle and pack animals. The use of saddle and pack animals is prohibited without a permit from the Superintendent. ...

  11. Basic kinematics of the saddle and rider in high-level dressage horses trotting on a treadmill.

    PubMed

    Byström, A; Rhodin, M; von Peinen, K; Weishaupt, M A; Roepstorff, L

    2009-03-01

    A comprehensive kinematic description of rider and saddle movements is not yet present in the scientific literature. To describe saddle and rider movements in a group of high-level dressage horses and riders. Seven high-level dressage horses and riders were subjected to kinematic measurements while performing collected trot on a treadmill. For analysis a rigid body model for the saddle and core rider segments, projection angles of the rider's extremities and the neck and trunk of the horse, and distances between markers selected to indicate rider position were used. For a majority of the variables measured it was possible to describe a common pattern for the group. Rotations around the transverse axis (pitch) were generally biphasic for each diagonal. During the first half of stance the saddle rotated anti-clockwise and the rider's pelvis clockwise viewed from the right and the rider's lumbar back extended. During the later part of stance and the suspension phase reverse pitch rotations were observed. Rotations of the saddle and core rider segments around the longitudinal (roll) and vertical axes (yaw) changed direction only around time of contact of each diagonal. The saddles and riders of high-level dressage horses follow a common movement pattern at collected trot. The movements of the saddle and rider are clearly related to the movements of the horse and saddle movements also seem to be influenced by the rider. Knowledge about rider and saddle movements can further our understanding of, and hence possibilities to prevent, orthopaedic injuries related to the exposure of the horse to a rider and saddle.

  12. The molecular structure and conformation of tetrabromoformaldazine: ab initio and DFT calculations

    NASA Astrophysics Data System (ADS)

    Jeong, Myongho; Kwon, Younghi

    2000-06-01

    Ab initio and density functional theory methods are applied to investigate the molecular structure and conformational nature of tetrabromoformaldazine. The calculations including the effects of the electron correlation at the B3LYP and MP2 levels with the basis set 6-311+G(d) can reproduce the experimental geometrical parameters at the skew conformation. The N-N bond torsional angle φ calculated at the MP2/6-311+G(d) level is found to be closest to the observed angle. The scanning of the potential energy surface suggests that the anti-conformation is at a saddle point corresponding to the transition state.

  13. Delta function excitation of waves in the earth's ionosphere

    NASA Technical Reports Server (NTRS)

    Vidmar, R. J.; Crawford, F. W.; Harker, K. J.

    1983-01-01

    Excitation of the earth's ionosphere by delta function current sheets is considered, and the temporal and spatial evolution of wave packets is analyzed for a two-component collisional F2 layer. Approximations of an inverse Fourier-Laplace transform via saddle point methods provide plots of typical wave packets. These illustrate cold plasma wave theory and may be used as a diagnostic tool since it is possible to relate specific features, e.g., the frequency of a modulation envelope, to plasma parameters such as the electron cyclotron frequency. It is also possible to deduce the propagation path length and orientation of a remote radio beacon.

  14. Crossed-field divertor for a plasma device

    DOEpatents

    Kerst, Donald W.; Strait, Edward J.

    1981-01-01

    A divertor for removal of unwanted materials from the interior of a magnetic plasma confinement device includes the division of the wall of the device into segments insulated from each other in order to apply an electric field having a component perpendicular to the confining magnetic field. The resulting crossed-field drift causes electrically charged particles to be removed from the outer part of the confinement chamber to a pumping chamber. This method moves the particles quickly past the saddle point in the poloidal magnetic field where they would otherwise tend to stall, and provides external control over the rate of removal by controlling the magnitude of the electric field.

  15. 19 CFR 148.32 - Vehicles, aircraft, boats, teams and saddle horses taken abroad.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 19 Customs Duties 2 2013-04-01 2013-04-01 false Vehicles, aircraft, boats, teams and saddle horses... for Returning Residents § 148.32 Vehicles, aircraft, boats, teams and saddle horses taken abroad. (a) Admission free of duty. Automobiles and other vehicles, aircraft, boats, teams and saddle horses, together...

  16. 19 CFR 148.32 - Vehicles, aircraft, boats, teams and saddle horses taken abroad.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 19 Customs Duties 2 2010-04-01 2010-04-01 false Vehicles, aircraft, boats, teams and saddle horses... for Returning Residents § 148.32 Vehicles, aircraft, boats, teams and saddle horses taken abroad. (a) Admission free of duty. Automobiles and other vehicles, aircraft, boats, teams and saddle horses, together...

  17. 19 CFR 148.32 - Vehicles, aircraft, boats, teams and saddle horses taken abroad.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 19 Customs Duties 2 2014-04-01 2014-04-01 false Vehicles, aircraft, boats, teams and saddle horses... for Returning Residents § 148.32 Vehicles, aircraft, boats, teams and saddle horses taken abroad. (a) Admission free of duty. Automobiles and other vehicles, aircraft, boats, teams and saddle horses, together...

  18. 19 CFR 148.32 - Vehicles, aircraft, boats, teams and saddle horses taken abroad.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 19 Customs Duties 2 2012-04-01 2012-04-01 false Vehicles, aircraft, boats, teams and saddle horses... for Returning Residents § 148.32 Vehicles, aircraft, boats, teams and saddle horses taken abroad. (a) Admission free of duty. Automobiles and other vehicles, aircraft, boats, teams and saddle horses, together...

  19. 19 CFR 148.32 - Vehicles, aircraft, boats, teams and saddle horses taken abroad.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 19 Customs Duties 2 2011-04-01 2011-04-01 false Vehicles, aircraft, boats, teams and saddle horses... for Returning Residents § 148.32 Vehicles, aircraft, boats, teams and saddle horses taken abroad. (a) Admission free of duty. Automobiles and other vehicles, aircraft, boats, teams and saddle horses, together...

  20. Lassoing saddle splay and the geometrical control of topological defects

    NASA Astrophysics Data System (ADS)

    Tran, Lisa; Lavrentovich, Maxim O.; Beller, Daniel A.; Li, Ningwei; Stebe, Kathleen J.; Kamien, Randall D.

    2016-06-01

    Systems with holes, such as colloidal handlebodies and toroidal droplets, have been studied in the nematic liquid crystal (NLC) 4-cyano-4'-pentylbiphenyl (5CB): Both point and ring topological defects can occur within each hole and around the system while conserving the system's overall topological charge. However, what has not been fully appreciated is the ability to manipulate the hole geometry with homeotropic (perpendicular) anchoring conditions to induce complex, saddle-like deformations. We exploit this by creating an array of holes suspended in an NLC cell with oriented planar (parallel) anchoring at the cell boundaries. We study both 5CB and a binary mixture of bicyclohexane derivatives (CCN-47 and CCN-55). Through simulations and experiments, we study how the bulk saddle deformations of each hole interact to create defect structures, including an array of disclination lines, reminiscent of those found in liquid-crystal blue phases. The line locations are tunable via the NLC elastic constants, the cell geometry, and the size and spacing of holes in the array. This research lays the groundwork for the control of complex elastic deformations of varying length scales via geometrical cues in materials that are renowned in the display industry for their stability and easy manipulability.

  1. Ar/Ar age data of muscovite from the Keivy Terrane (central Kola Peninsula, arctic European Russia) imply a prolonged fluid-assisted recrystallisation

    NASA Astrophysics Data System (ADS)

    de Jong, K.; Ruffet, G.; Marker, M.

    2012-04-01

    Single grain muscovite 40Ar/39Ar age data from metasediments of the Keivy Terrane point to a prolonged recrystallisation, and imply that the younger age set in metamorphic terranes with a long history cannot always be simply interpreted as due to late and slow cooling. The Keivy terrane is an element of the Palaeoproterozoic Lapland-Kola collisional belt developed along the northern margin of the Fennoscandian (Baltic) Shield. It comprises a lower series of late Archaean meta-volcanic rocks, intruded by earliest Palaeoproterozoic alkali granites that are covered by strongly deformed quartz-rich kyanite-staurolite-garnet-micaschists of the Keivy unit that have yielded magmatic zircons as young as ~2.35 Ga, which were derived from the substratum's alkaline granite. 40Ar/39Ar step-heating dating with a defocussed laser beam of muscovite grains from seven metasediments of the Keivy unit yielded saddle-shaped age spectra in most experiments. In five out of seven cases the base of the saddle corresponded to a plateau age in the range of 1667 to 1593 Ma (60-90% of the gas release; 1 sigma errors: 1.0-1.2 Ma). We do not simply interpret these 40Ar/39Ar ages in the classical way as due to cooling, because the saddle shape of the spectra enables a more complete and detailed interpretation. Saddle-shaped age spectra may result from the presence of different argon reservoirs in partially recrystallised and chemically distinct micas that degas over a different energy interval: a primary, not recrystallised or inherited domain (low and high temperature steps) and a newly formed or recrystallised one (saddle minimum in the intermediate steps). The younger subdomains formed by growth or recrystallisation could characterise the last isotopic record during an extended (re)crystallisation history. It is striking that 1612 and 1615 Ma saddle minimum ages in two samples correspond to a plateau age of 1612 Ma in another sample. Also elevated high and/or low temperature apparent ages of about 1654 Ma in one sample agree to a plateau age of 1657 Ma in another sample. These data would point to recrystallisation lasting about 45 million years, or even around 75 million years, taking the difference between the oldest and youngest plateau ages. The age difference between elevated apparent ages of high and/or low temperature steps and the plateau in individual age spectra can amount to similar lengths of time. The occurrence of overgrowth rims with uniform high-U/low-Th ratios and 1.70-1.72 Ga ages around older zircons, previously revealed by NORDSIM ion probe dating of some of the samples we used, also points to low-temperature fluid alteration. The tectonic meaning of the 1.67-1.59 Ga muscovite ages is unclear, but the age range is comparable to the Gothian orogeny (1.75-1.55 Ga) and the voluminous anorthosite-rapakivi magmatism (1.67-1.45Ga) in the southern Baltic Shield. The latter event has been linked to the Gothian orogeny when a long-lived calc-alkaline Cordilleran-type continental margin arc was developed along the western margin of the Baltic Shield, but also to rifting around the Palaeoproterozoic-Mesoproterozoic boundary.

  2. Statistical prescission point model of fission fragment angular distributions

    NASA Astrophysics Data System (ADS)

    John, Bency; Kataria, S. K.

    1998-03-01

    In light of recent developments in fission studies such as slow saddle to scission motion and spin equilibration near the scission point, the theory of fission fragment angular distribution is examined and a new statistical prescission point model is developed. The conditional equilibrium of the collective angular bearing modes at the prescission point, which is guided mainly by their relaxation times and population probabilities, is taken into account in the present model. The present model gives a consistent description of the fragment angular and spin distributions for a wide variety of heavy and light ion induced fission reactions.

  3. Nonconvergence to Saddle Boundary Points under Perturbed Reinforcement Learning

    DTIC Science & Technology

    2012-12-07

    of the ODE (12). Note that for some games not all stationary points of the ODE (12) are Nash equilibria. For example, if you consider the Typewriter ...B A 4, 4 2, 2 B 2, 2 3, 3 Table 1: The Typewriter Game. On the other hand, any stationary point in the interior of the probability simplex will... Typewriter Game of Table 1. We observe that it is possible for the process to converge to a pure strategy profile which is not a Nash equilibrium when Ri(α

  4. Measurements of a turbulent horseshoe vortex formed around a cylinder

    NASA Technical Reports Server (NTRS)

    Eckerle, W. A.; Langston, L. S.

    1986-01-01

    An experimental investigation was conducted to characterize a symmetrical horseshoe vortex system in front of and around a single large-diameter right cylinder centered between the sidewalls of a wind tunnel. Surface flow visualization and surface static pressure measurements as well as extensive mean velocity and pressure measurements in and around the vortex system were acquired. The results lend new insight into the formation and development of the vortex system. Contrary to what has been assumed previously, a strong vortex was not identified in the streamwise plane of symmetry, but started a significant angular distance away from it. Rather than the multiple vortex systems reported by others, only a single primary vortex and saddle point were found. The scale of the separation process at the saddle point was much smaller than the scale of the approaching boundary layer thickness. Results of the present study not only shed light on such phenomena as the nonsymmetrical endwall flow in axial turbomachinery but can also be used as a test case for three-dimensional computational fluid mechanics computer codes.

  5. Beyond Poisson-Boltzmann: Fluctuation effects and correlation functions

    NASA Astrophysics Data System (ADS)

    Netz, R. R.; Orland, H.

    2000-02-01

    We formulate the exact non-linear field theory for a fluctuating counter-ion distribution in the presence of a fixed, arbitrary charge distribution. The Poisson-Boltzmann equation is obtained as the saddle-point of the field-theoretic action, and the effects of counter-ion fluctuations are included by a loop-wise expansion around this saddle point. The Poisson equation is obeyed at each order in this loop expansion. We explicitly give the expansion of the Gibbs potential up to two loops. We then apply our field-theoretic formalism to the case of a single impenetrable wall with counter ions only (in the absence of salt ions). We obtain the fluctuation corrections to the electrostatic potential and the counter-ion density to one-loop order without further approximations. The relative importance of fluctuation corrections is controlled by a single parameter, which is proportional to the cube of the counter-ion valency and to the surface charge density. The effective interactions and correlation functions between charged particles close to the charged wall are obtained on the one-loop level.

  6. Back in the saddle: large-deviation statistics of the cosmic log-density field

    NASA Astrophysics Data System (ADS)

    Uhlemann, C.; Codis, S.; Pichon, C.; Bernardeau, F.; Reimberg, P.

    2016-08-01

    We present a first principle approach to obtain analytical predictions for spherically averaged cosmic densities in the mildly non-linear regime that go well beyond what is usually achieved by standard perturbation theory. A large deviation principle allows us to compute the leading order cumulants of average densities in concentric cells. In this symmetry, the spherical collapse model leads to cumulant generating functions that are robust for finite variances and free of critical points when logarithmic density transformations are implemented. They yield in turn accurate density probability distribution functions (PDFs) from a straightforward saddle-point approximation valid for all density values. Based on this easy-to-implement modification, explicit analytic formulas for the evaluation of the one- and two-cell PDF are provided. The theoretical predictions obtained for the PDFs are accurate to a few per cent compared to the numerical integration, regardless of the density under consideration and in excellent agreement with N-body simulations for a wide range of densities. This formalism should prove valuable for accurately probing the quasi-linear scales of low-redshift surveys for arbitrary primordial power spectra.

  7. Dynamics of a parametrically excited simple pendulum

    NASA Astrophysics Data System (ADS)

    Depetri, Gabriela I.; Pereira, Felipe A. C.; Marin, Boris; Baptista, Murilo S.; Sartorelli, J. C.

    2018-03-01

    The dynamics of a parametric simple pendulum submitted to an arbitrary angle of excitation ϕ was investigated experimentally by simulations and analytically. Analytical calculations for the loci of saddle-node bifurcations corresponding to the creation of resonant orbits were performed by applying Melnikov's method. However, this powerful perturbative method cannot be used to predict the existence of odd resonances for a vertical excitation within first order corrections. Yet, we showed that period-3 resonances indeed exist in such a configuration. Two degenerate attractors of different phases, associated with the same loci of saddle-node bifurcations in parameter space, are reported. For tilted excitation, the degeneracy is broken due to an extra torque, which was confirmed by the calculation of two distinct loci of saddle-node bifurcations for each attractor. This behavior persists up to ϕ≈7 π/180 , and for inclinations larger than this, only one attractor is observed. Bifurcation diagrams were constructed experimentally for ϕ=π/8 to demonstrate the existence of self-excited resonances (periods smaller than three) and hidden oscillations (for periods greater than three).

  8. Dynamics of a parametrically excited simple pendulum.

    PubMed

    Depetri, Gabriela I; Pereira, Felipe A C; Marin, Boris; Baptista, Murilo S; Sartorelli, J C

    2018-03-01

    The dynamics of a parametric simple pendulum submitted to an arbitrary angle of excitation ϕ was investigated experimentally by simulations and analytically. Analytical calculations for the loci of saddle-node bifurcations corresponding to the creation of resonant orbits were performed by applying Melnikov's method. However, this powerful perturbative method cannot be used to predict the existence of odd resonances for a vertical excitation within first order corrections. Yet, we showed that period-3 resonances indeed exist in such a configuration. Two degenerate attractors of different phases, associated with the same loci of saddle-node bifurcations in parameter space, are reported. For tilted excitation, the degeneracy is broken due to an extra torque, which was confirmed by the calculation of two distinct loci of saddle-node bifurcations for each attractor. This behavior persists up to ϕ≈7π/180, and for inclinations larger than this, only one attractor is observed. Bifurcation diagrams were constructed experimentally for ϕ=π/8 to demonstrate the existence of self-excited resonances (periods smaller than three) and hidden oscillations (for periods greater than three).

  9. Detection of symmetric homoclinic orbits to saddle-centres in reversible systems

    NASA Astrophysics Data System (ADS)

    Yagasaki, Kazuyuki; Wagenknecht, Thomas

    2006-02-01

    We present a perturbation technique for the detection of symmetric homoclinic orbits to saddle-centre equilibria in reversible systems of ordinary differential equations. We assume that the unperturbed system has primary, symmetric homoclinic orbits, which may be either isolated or appear in a family, and use an idea similar to that of Melnikov’s method to detect homoclinic orbits in their neighbourhood. This technique also allows us to identify bifurcations of unperturbed or perturbed, symmetric homoclinic orbits. Our technique is of importance in applications such as nonlinear optics and water waves since homoclinic orbits to saddle-centre equilibria describe embedded solitons (ESs) in systems of partial differential equations representing physical models, and except for special cases their existence has been previously studied only numerically using shooting methods and continuation techniques. We apply the general theory to two examples, a four-dimensional system describing ESs in nonlinear optical media and a six-dimensional system which can possess a one-parameter family of symmetric homoclinic orbits in the unperturbed case. For these examples, the analysis is compared with numerical computations and an excellent agreement between both results is found.

  10. Benchmark ab Initio Characterization of the Complex Potential Energy Surfaces of the X- + NH2Y [X, Y = F, Cl, Br, I] Reactions.

    PubMed

    Hajdu, Bálint; Czakó, Gábor

    2018-02-22

    We report a comprehensive high-level explicitly correlated ab initio study on the X - + NH 2 Y [X,Y = F, Cl, Br, I] reactions characterizing the stationary points of the S N 2 (Y - + NH 2 X) and proton-transfer (HX + NHY - ) pathways as well as the reaction enthalpies of various endothermic additional product channels such as H - + NHXY, XY - + NH 2 , XY + NH 2 - , and XHY - + NH. Benchmark structures and harmonic vibrational frequencies are obtained at the CCSD(T)-F12b/aug-cc-pVTZ(-PP) level of theory, followed by CCSD(T)-F12b/aug-cc-pVnZ(-PP) [n = Q and 5] and core correlation energy computations. In the entrance and exit channels we find two equivalent hydrogen-bonded C 1 minima, X - ···HH'NY and X - ···H'HNY connected by a C s first-order saddle point, X - ···H 2 NY, as well as a halogen-bonded front-side complex, X - ···YNH 2 . S N 2 reactions can proceed via back-side attack Walden inversion and front-side attack retention pathways characterized by first-order saddle points, submerged [X-NH 2 -Y] - and high-energy [H 2 NXY] - , respectively. Product-like stationary points below the HX + NHY - asymptotes are involved in the proton-transfer processes.

  11. Crossing the dividing surface of transition state theory. III. Once and only once. Selecting reactive trajectories

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lorquet, J. C., E-mail: jc.lorquet@ulg.ac.be

    2015-09-14

    The purpose of the present work is to determine initial conditions that generate reacting, recrossing-free trajectories that cross the conventional dividing surface of transition state theory (i.e., the plane in configuration space passing through a saddle point of the potential energy surface and perpendicular to the reaction coordinate) without ever returning to it. Local analytical equations of motion valid in the neighborhood of this planar surface have been derived as an expansion in Poisson brackets. We show that the mere presence of a saddle point implies that reactivity criteria can be quite simply formulated in terms of elements of thismore » series, irrespective of the shape of the potential energy function. Some of these elements are demonstrated to be equal to a sum of squares and thus to be necessarily positive, which has a profound impact on the dynamics. The method is then applied to a three-dimensional model describing an atom-diatom interaction. A particular relation between initial conditions is shown to generate a bundle of reactive trajectories that form reactive cylinders (or conduits) in phase space. This relation considerably reduces the phase space volume of initial conditions that generate recrossing-free trajectories. Loci in phase space of reactive initial conditions are presented. Reactivity is influenced by symmetry, as shown by a comparative study of collinear and bent transition states. Finally, it is argued that the rules that have been derived to generate reactive trajectories in classical mechanics are also useful to build up a reactive wave packet.« less

  12. Identifying Septal Support Reconstructions for Saddle Nose Deformity: The Cakmak Algorithm.

    PubMed

    Cakmak, Ozcan; Emre, Ismet Emrah; Ozkurt, Fazil Emre

    2015-01-01

    The saddle nose deformity is one of the most challenging problems in nasal surgery with a less predictable and reproducible result than other nasal procedures. The main feature of this deformity is loss of septal support with both functional and aesthetic implications. Most reports on saddle nose have focused on aesthetic improvement and neglected the reestablishment of septal support to improve airway. To explain how the Cakmak algorithm, an algorithm that describes various fixation techniques and grafts in different types of saddle nose deformities, aids in identifying saddle nose reconstructions that restore supportive nasal framework and provide the aesthetic improvements typically associated with procedures to correct saddle nose deformities. This algorithm presents septal support reconstruction of patients with saddle nose deformity based on the experience of the senior author in 206 patients with saddle nose deformity. Preoperative examination, intraoperative assessment, reconstruction techniques, graft materials, and patient evaluation of aesthetic success were documented, and 4 different types of saddle nose deformities were defined. The Cakmak algorithm classifies varying degrees of saddle nose deformity from type 0 to type 4 and helps identify the most appropriate surgical procedure to restore the supportive nasal framework and aesthetic dorsum. Among the 206 patients, 110 women and 96 men, mean (range) age was 39.7 years (15-68 years), and mean (range) of follow-up was 32 months (6-148 months). All but 12 patients had a history of previous nasal surgeries. Application of the Cakmak algorithm resulted in 36 patients categorized with type 0 saddle nose deformities; 79, type 1; 50, type 2; 20, type 3a; 7, type 3b; and 14, type 4. Postoperative photographs showed improvement of deformities, and patient surveys revealed aesthetic improvement in 201 patients and improvement in nasal breathing in 195 patients. Three patients developed postoperative infection and 21 patients underwent revision septal surgery. The goal of saddle nose reconstruction should be not only to restore an aesthetic dorsum but also to restore the supportive nasal framework. The surgeon should provide more projected and strengthened septal support before augmentation of saddle nose deformity to improve breathing and achieve a stable long-term result. The Cakmak algorithm is a mechanism that helps surgeons identify the most effective way to maximize septal support and aesthetic appeal. 4.

  13. High-energy photon-hadron scattering in holographic QCD

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Nishio, Ryoichi; Institute for the Physics and Mathematics of the Universe, University of Tokyo, Kashiwano-ha 5-1-5, 277-8583; Watari, Taizan

    2011-10-01

    This article provides an in-depth look at hadron high-energy scattering by using gravity dual descriptions of strongly coupled gauge theories. Just like deeply inelastic scattering (DIS) and deeply virtual Compton scattering (DVCS) serve as clean experimental probes into nonperturbative internal structure of hadrons, elastic scattering amplitude of a hadron and a (virtual) photon in gravity dual can be exploited as a theoretical probe. Since the scattering amplitude at sufficiently high energy (small Bjorken x) is dominated by parton contributions (=Pomeron contributions) even in strong coupling regime, there is a chance to learn a lesson for generalized parton distribution (GPD) bymore » using gravity dual models. We begin with refining derivation of the Brower-Polchinski-Strassler-Tan (BPST) Pomeron kernel in gravity dual, paying particular attention to the role played by the complex spin variable j. The BPST Pomeron on warped spacetime consists of a Kaluza-Klein tower of 4D Pomerons with nonlinear trajectories, and we clarify the relation between Pomeron couplings and the Pomeron form factor. We emphasize that the saddle-point value j* of the scattering amplitude in the complex j-plane representation is a very important concept in understanding qualitative behavior of the scattering amplitude. The total Pomeron contribution to the scattering is decomposed into the saddle-point contribution and at most a finite number of pole contributions, and when the pole contributions are absent (which we call saddle-point phase), kinematical variable (q,x,t)-dependence of ln(1/q) evolution and ln(1/x) evolution parameters {gamma}{sub eff} and {lambda}{sub eff} in DIS and t-slope parameter B of DVCS in HERA experiment are all reproduced qualitatively in gravity dual. All of these observations shed a new light on modeling of GPD. Straightforward application of those results to other hadron high-energy scattering is also discussed.« less

  14. Identification of a mutation that is associated with the saddle tan and black-and-tan phenotypes in Basset Hounds and Pembroke Welsh Corgis.

    PubMed

    Dreger, Dayna L; Parker, Heidi G; Ostrander, Elaine A; Schmutz, Sheila M

    2013-01-01

    The causative mutation for the black-and-tan (a (t) ) phenotype in dogs was previously shown to be a SINE insertion in the 5' region of Agouti Signaling Protein (ASIP). Dogs with the black-and-tan phenotype, as well as dogs with the saddle tan phenotype, genotype as a (t) /_ at this locus. We have identified a 16-bp duplication (g.1875_1890dupCCCCAGGTCAGAGTTT) in an intron of hnRNP associated with lethal yellow (RALY), which segregates with the black-and-tan phenotype in a group of 99 saddle tan and black-and-tan Basset Hounds and Pembroke Welsh Corgis. In these breeds, all dogs with the saddle tan phenotype had RALY genotypes of +/+ or +/dup, whereas dogs with the black-and-tan phenotype were homozygous for the duplication. The presence of an a (y) /_ fawn or e/e red genotype is epistatic to the +/_ saddle tan genotype. Genotypes from 10 wolves and 1 coyote indicated that the saddle tan (+) allele is the ancestral allele, suggesting that black-and-tan is a modification of saddle tan. An additional 95 dogs from breeds that never have the saddle tan phenotype have all three of the possible RALY genotypes. We suggest that a multi-gene interaction involving ASIP, RALY, MC1R, DEFB103, and a yet-unidentified modifier gene is required for expression of saddle tan.

  15. Variational principle for the Navier-Stokes equations.

    PubMed

    Kerswell, R R

    1999-05-01

    A variational principle is presented for the Navier-Stokes equations in the case of a contained boundary-driven, homogeneous, incompressible, viscous fluid. Based upon making the fluid's total viscous dissipation over a given time interval stationary subject to the constraint of the Navier-Stokes equations, the variational problem looks overconstrained and intractable. However, introducing a nonunique velocity decomposition, u(x,t)=phi(x,t) + nu(x,t), "opens up" the variational problem so that what is presumed a single allowable point over the velocity domain u corresponding to the unique solution of the Navier-Stokes equations becomes a surface with a saddle point over the extended domain (phi,nu). Complementary or dual variational problems can then be constructed to estimate this saddle point value strictly from above as part of a minimization process or below via a maximization procedure. One of these reduced variational principles is the natural and ultimate generalization of the upper bounding problem developed by Doering and Constantin. The other corresponds to the ultimate Busse problem which now acts to lower bound the true dissipation. Crucially, these reduced variational problems require only the solution of a series of linear problems to produce bounds even though their unique intersection is conjectured to correspond to a solution of the nonlinear Navier-Stokes equations.

  16. Minimization principles for the coupled problem of Darcy-Biot-type fluid transport in porous media linked to phase field modeling of fracture

    NASA Astrophysics Data System (ADS)

    Miehe, Christian; Mauthe, Steffen; Teichtmeister, Stephan

    2015-09-01

    This work develops new minimization and saddle point principles for the coupled problem of Darcy-Biot-type fluid transport in porous media at fracture. It shows that the quasi-static problem of elastically deforming, fluid-saturated porous media is related to a minimization principle for the evolution problem. This two-field principle determines the rate of deformation and the fluid mass flux vector. It provides a canonically compact model structure, where the stress equilibrium and the inverse Darcy's law appear as the Euler equations of a variational statement. A Legendre transformation of the dissipation potential relates the minimization principle to a characteristic three field saddle point principle, whose Euler equations determine the evolutions of deformation and fluid content as well as Darcy's law. A further geometric assumption results in modified variational principles for a simplified theory, where the fluid content is linked to the volumetric deformation. The existence of these variational principles underlines inherent symmetries of Darcy-Biot theories of porous media. This can be exploited in the numerical implementation by the construction of time- and space-discrete variational principles, which fully determine the update problems of typical time stepping schemes. Here, the proposed minimization principle for the coupled problem is advantageous with regard to a new unconstrained stable finite element design, while space discretizations of the saddle point principles are constrained by the LBB condition. The variational principles developed provide the most fundamental approach to the discretization of nonlinear fluid-structure interactions, showing symmetric systems in algebraic update procedures. They also provide an excellent starting point for extensions towards more complex problems. This is demonstrated by developing a minimization principle for a phase field description of fracture in fluid-saturated porous media. It is designed for an incorporation of alternative crack driving forces, such as a convenient criterion in terms of the effective stress. The proposed setting provides a modeling framework for the analysis of complex problems such as hydraulic fracture. This is demonstrated by a spectrum of model simulations.

  17. Liquid-gas phase transitions and C K symmetry in quantum field theories

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Nishimura, Hiromichi; Ogilvie, Michael C.; Pangeni, Kamal

    A general field-theoretic framework for the treatment of liquid-gas phase transitions is developed. Starting from a fundamental four-dimensional field theory at nonzero temperature and density, an effective three-dimensional field theory is derived. The effective field theory has a sign problem at finite density. Although finite density explicitly breaks charge conjugation C , there remains a symmetry under C K , where K is complex conjugation. Here, we consider four models: relativistic fermions, nonrelativistic fermions, static fermions and classical particles. The interactions are via an attractive potential due to scalar field exchange and a repulsive potential due to massive vector exchange.more » The field-theoretic representation of the partition function is closely related to the equivalence of the sine-Gordon field theory with a classical gas. The thermodynamic behavior is extracted from C K -symmetric complex saddle points of the effective field theory at tree level. In the cases of nonrelativistic fermions and classical particles, we find complex saddle point solutions but no first-order transitions, and neither model has a ground state at tree level. The relativistic and static fermions show a liquid-gas transition at tree level in the effective field theory. The liquid-gas transition, when it occurs, manifests as a first-order line at low temperature and high density, terminated by a critical end point. The mass matrix controlling the behavior of correlation functions is obtained from fluctuations around the saddle points. Due to the C K symmetry of the models, the eigenvalues of the mass matrix are not always real but can be complex. This then leads to the existence of disorder lines, which mark the boundaries where the eigenvalues go from purely real to complex. The regions where the mass matrix eigenvalues are complex are associated with the critical line. In the case of static fermions, a powerful duality between particles and holes allows for the analytic determination of both the critical line and the disorder lines. Depending on the values of the parameters, either zero, one, or two disorder lines are found. Our numerical results for relativistic fermions give a very similar picture.« less

  18. Liquid-gas phase transitions and C K symmetry in quantum field theories

    DOE PAGES

    Nishimura, Hiromichi; Ogilvie, Michael C.; Pangeni, Kamal

    2017-04-04

    A general field-theoretic framework for the treatment of liquid-gas phase transitions is developed. Starting from a fundamental four-dimensional field theory at nonzero temperature and density, an effective three-dimensional field theory is derived. The effective field theory has a sign problem at finite density. Although finite density explicitly breaks charge conjugation C , there remains a symmetry under C K , where K is complex conjugation. Here, we consider four models: relativistic fermions, nonrelativistic fermions, static fermions and classical particles. The interactions are via an attractive potential due to scalar field exchange and a repulsive potential due to massive vector exchange.more » The field-theoretic representation of the partition function is closely related to the equivalence of the sine-Gordon field theory with a classical gas. The thermodynamic behavior is extracted from C K -symmetric complex saddle points of the effective field theory at tree level. In the cases of nonrelativistic fermions and classical particles, we find complex saddle point solutions but no first-order transitions, and neither model has a ground state at tree level. The relativistic and static fermions show a liquid-gas transition at tree level in the effective field theory. The liquid-gas transition, when it occurs, manifests as a first-order line at low temperature and high density, terminated by a critical end point. The mass matrix controlling the behavior of correlation functions is obtained from fluctuations around the saddle points. Due to the C K symmetry of the models, the eigenvalues of the mass matrix are not always real but can be complex. This then leads to the existence of disorder lines, which mark the boundaries where the eigenvalues go from purely real to complex. The regions where the mass matrix eigenvalues are complex are associated with the critical line. In the case of static fermions, a powerful duality between particles and holes allows for the analytic determination of both the critical line and the disorder lines. Depending on the values of the parameters, either zero, one, or two disorder lines are found. Our numerical results for relativistic fermions give a very similar picture.« less

  19. Chaos in driven Alfvén systems: unstable periodic orbits and chaotic saddles

    NASA Astrophysics Data System (ADS)

    Chian, A. C.-L.; Santana, W. M.; Rempel, E. L.; Borotto, F. A.; Hada, T.; Kamide, Y.

    2007-01-01

    The chaotic dynamics of Alfvén waves in space plasmas governed by the derivative nonlinear Schrödinger equation, in the low-dimensional limit described by stationary spatial solutions, is studied. A bifurcation diagram is constructed, by varying the driver amplitude, to identify a number of nonlinear dynamical processes including saddle-node bifurcation, boundary crisis, and interior crisis. The roles played by unstable periodic orbits and chaotic saddles in these transitions are analyzed, and the conversion from a chaotic saddle to a chaotic attractor in these dynamical processes is demonstrated. In particular, the phenomenon of gap-filling in the chaotic transition from weak chaos to strong chaos via an interior crisis is investigated. A coupling unstable periodic orbit created by an explosion, within the gaps of the chaotic saddles embedded in a chaotic attractor following an interior crisis, is found numerically. The gap-filling unstable periodic orbits are responsible for coupling the banded chaotic saddle (BCS) to the surrounding chaotic saddle (SCS), leading to crisis-induced intermittency. The physical relevance of chaos for Alfvén intermittent turbulence observed in the solar wind is discussed.

  20. Kinetic Monte Carlo simulations of thermally activated magnetization reversal in dual-layer Exchange Coupled Composite recording media

    NASA Astrophysics Data System (ADS)

    Plumer, M. L.; Almudallal, A. M.; Mercer, J. I.; Whitehead, J. P.; Fal, T. J.

    The kinetic Monte Carlo (KMC) method developed for thermally activated magnetic reversal processes in single-layer recording media has been extended to study dual-layer Exchange Coupled Composition (ECC) media used in current and next generations of disc drives. The attempt frequency is derived from the Langer formalism with the saddle point determined using a variant of Bellman Ford algorithm. Complication (such as stagnation) arising from coupled grains having metastable states are addressed. MH-hysteresis loops are calculated over a wide range of anisotropy ratios, sweep rates and inter-layer coupling parameter. Results are compared with standard micromagnetics at fast sweep rates and experimental results at slow sweep rates.

  1. Nonadiabatic quantum path analysis of high-order harmonic generation: Role of the carrier-envelope phase on short and long paths

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sansone, G.; Stagira, S.; Nisoli, M.

    2004-07-01

    High-order harmonic generation process in the few- and multiple-optical-cycle regime is theoretically investigated, using the saddle-point method generalized to account for nonadiabatic effects. The influence of the carrier-envelope phase of the driving pulses on the various electron quantum paths is analyzed. We demonstrate that the short and long quantum paths are influenced in different ways by the carrier-envelope phase. In particular, we show that clear phase effects are visible on the long quantum paths even in the multiple-optical-cycle regime, while the short quantum paths are significantly influenced by the carrier-envelope phase only in the few-optical-cycle regime.

  2. Bianchi IX dynamics in bouncing cosmologies: homoclinic chaos and the BKL conjecture

    NASA Astrophysics Data System (ADS)

    Maier, Rodrigo; Damião Soares, Ivano; Valentino Tonini, Eduardo

    2015-12-01

    We examine the dynamics of a Bianchi IX model with three scale factors on a 4-dim Lorentzian brane embedded in a 5-dim conformally flat empty bulk with a timelike extra dimension. The matter content is a pressureless perfect fluid restricted to the brane, with the embedding consistently satisfying the Gauss-Codazzi equations. The 4-dim Einstein equations on the brane reduce to a 6-dim Hamiltonian dynamical system with additional terms (due to the bulk-brane interaction) that avoid the singularity and implement nonsingular bounces in the model. We examine the complex Bianchi IX dynamics in its approach to the neighborhood of the bounce which replaces the cosmological singularity of general relativity. The phase space of the model presents (i) two critical points (a saddle-center-center and a center-center-center) in a finite region of phase space, (ii) two asymptotic de Sitter critical points at infinity, one acting as an attractor to late-time acceleration and (iii) a 2-dim invariant plane, which together organize the dynamics of the phase space. The saddle-center-center engenders in the phase space the topology of stable and unstable 4-dim cylinders R × S 3, where R is a saddle direction and S 3 is the center manifold of unstable periodic orbits, the latter being the nonlinear extension of the center-center sector. By a proper canonical transformation the degrees of freedom of the dynamics are separated into one degree connected with the expansion/contraction of the scales of the model, and two rotational degrees of freedom associated with the center manifold S 3. The typical dynamical flow is thus an oscillatory mode about the orbits of the invariant plane. The stable and unstable cylinders are spanned by oscillatory orbits about the separatrix towards the bounce, leading to the homoclinic transversal intersection of the cylinders, as shown numerically in two distinct simulations. The homoclinic intersection manifold has the topology of R × S 2 consisting of homoclinic orbits biasymptotic to the center manifold S 3. This behavior defines a chaotic saddle associated with S 3, indicating that the intersection points of the cylinders have the nature of a Cantor set with compact support S 2. This is an invariant signature of chaos in the model. We discuss the connection between these properties of the dynamics, namely the oscillatory approach to the bounce together with its chaotic behavior, and analogous features present in the BKL conjecture in general relativity.

  3. Three-Dimensional Interactions and Vortical Flows with Emphasis on High Speeds

    DTIC Science & Technology

    1980-07-01

    experimental studies ui.ilizing oil-streak flow-visualization techniques. If a flow-visualization -indicator on a wind-tunnel model is very thin, it has...present study . At a saddle point ’Fig. 10c), there are only two particular lines, CC and DD, that pass through the singular point. The directions on ... case the vortex filament emanating from the focus remains distinct ("tornado-like") and is sean as a separate entity on crossflow planes downstream

  4. Effects of Different Anesthetic Techniques on Serum Leptin, C-reactive Protein, and Cortisol Concentrations in Anorectal Surgery

    PubMed Central

    Buyukkocak, Unase; Daphan, Cagatay; Caglayan, Osman; Aydinuraz, Kuzey; Kaya, Tahsin; Saygun, Oral; Agalar, Fatih

    2006-01-01

    Aim To compare the effects of intratracheal general anesthesia (ITGA) and regional (saddle block) anesthesia on leptin, C-reactive protein (CRP), and cortisol blood concentrations during anorectal surgery. Methods Fifty-eight patients suffering from hemorrhoidal disease, pilonidal sinus, anal fissure, or anal fistula were included the study. Patients were randomly assigned into one of the two groups (n = 29). Patients in one group received ITGA. After thiopental and fentanyl induction, vecuronium was used as a muscle relaxant. Anesthesia was maintained with sevoflurane. In the other group we applied saddle block, injecting hyperbaric bupivacaine into the subarachnoid space, through the L3-L4 intervertebral space, in the sitting position. Blood samples were collected for leptin, CRP, and cortisol analysis before the induction of anesthesia at 3 and 24 hours postoperatively. Results Preoperative leptin, CRP, and cortisol concentrations were comparable between the groups. There was no significant difference in postoperative levels of leptin and CRP in both groups. Although not significant, leptin and CRP concentrations were lower in the saddle block group at three hours postoperatively (mean ± SD, 6.95 ± 8.59 and 6.02 ± 12.25, respectively) than in the ITGA group (mean ± SD, 9.04 ± 9.89 and 8.40 ± 15.75, respectively). During early postoperative period, cortisol increased slightly in the ITGA group and remained at similar level in the saddle block group, but later decreased in both groups. Cortisol levels in the saddle block group were significantly lower than in the ITGA group at 3 hours postoperatively (343.7 ± 329.6 vs 611.4 ± 569.8; P = 0.034). Conclusion Saddle block, a regional anesthetic technique, may attenuate stress response in patients undergoing anorectal surgery, by blocking afferent neural input during early postoperative period. PMID:17167859

  5. Study of Fission Barrier Heights of Uranium Isotopes by the Macroscopic-Microscopic Method

    NASA Astrophysics Data System (ADS)

    Zhong, Chun-Lai; Fan, Tie-Shuan

    2014-09-01

    Potential energy surfaces of uranium nuclei in the range of mass numbers 229 through 244 are investigated in the framework of the macroscopic-microscopic model and the heights of static fission barriers are obtained in terms of a double-humped structure. The macroscopic part of the nuclear energy is calculated according to Lublin—Strasbourg-drop (LSD) model. Shell and pairing corrections as the microscopic part are calculated with a folded-Yukawa single-particle potential. The calculation is carried out in a five-dimensional parameter space of the generalized Lawrence shapes. In order to extract saddle points on the potential energy surface, a new algorithm which can effectively find an optimal fission path leading from the ground state to the scission point is developed. The comparison of our results with available experimental data and others' theoretical results confirms the reliability of our calculations.

  6. On the stability analysis of hyperelastic boundary value problems using three- and two-field mixed finite element formulations

    NASA Astrophysics Data System (ADS)

    Schröder, Jörg; Viebahn, Nils; Wriggers, Peter; Auricchio, Ferdinando; Steeger, Karl

    2017-09-01

    In this work we investigate different mixed finite element formulations for the detection of critical loads for the possible occurrence of bifurcation and limit points. In detail, three- and two-field formulations for incompressible and quasi-incompressible materials are analyzed. In order to apply various penalty functions for the volume dilatation in displacement/pressure mixed elements we propose a new consistent scheme capturing the non linearities of the penalty constraints. It is shown that for all mixed formulations, which can be reduced to a generalized displacement scheme, a straight forward stability analysis is possible. However, problems based on the classical saddle-point structure require a different analyses based on the change of the signature of the underlying matrix system. The basis of these investigations is the work from Auricchio et al. (Comput Methods Appl Mech Eng 194:1075-1092, 2005, Comput Mech 52:1153-1167, 2013).

  7. Distributed Optimal Consensus Over Resource Allocation Network and Its Application to Dynamical Economic Dispatch.

    PubMed

    Li, Chaojie; Yu, Xinghuo; Huang, Tingwen; He, Xing; Chaojie Li; Xinghuo Yu; Tingwen Huang; Xing He; Li, Chaojie; Huang, Tingwen; He, Xing; Yu, Xinghuo

    2018-06-01

    The resource allocation problem is studied and reformulated by a distributed interior point method via a -logarithmic barrier. By the facilitation of the graph Laplacian, a fully distributed continuous-time multiagent system is developed for solving the problem. Specifically, to avoid high singularity of the -logarithmic barrier at boundary, an adaptive parameter switching strategy is introduced into this dynamical multiagent system. The convergence rate of the distributed algorithm is obtained. Moreover, a novel distributed primal-dual dynamical multiagent system is designed in a smart grid scenario to seek the saddle point of dynamical economic dispatch, which coincides with the optimal solution. The dual decomposition technique is applied to transform the optimization problem into easily solvable resource allocation subproblems with local inequality constraints. The good performance of the new dynamical systems is, respectively, verified by a numerical example and the IEEE six-bus test system-based simulations.

  8. Lassoing saddle splay and the geometrical control of topological defects

    PubMed Central

    Tran, Lisa; Lavrentovich, Maxim O.; Beller, Daniel A.; Li, Ningwei; Stebe, Kathleen J.; Kamien, Randall D.

    2016-01-01

    Systems with holes, such as colloidal handlebodies and toroidal droplets, have been studied in the nematic liquid crystal (NLC) 4-cyano-4′-pentylbiphenyl (5CB): Both point and ring topological defects can occur within each hole and around the system while conserving the system’s overall topological charge. However, what has not been fully appreciated is the ability to manipulate the hole geometry with homeotropic (perpendicular) anchoring conditions to induce complex, saddle-like deformations. We exploit this by creating an array of holes suspended in an NLC cell with oriented planar (parallel) anchoring at the cell boundaries. We study both 5CB and a binary mixture of bicyclohexane derivatives (CCN-47 and CCN-55). Through simulations and experiments, we study how the bulk saddle deformations of each hole interact to create defect structures, including an array of disclination lines, reminiscent of those found in liquid-crystal blue phases. The line locations are tunable via the NLC elastic constants, the cell geometry, and the size and spacing of holes in the array. This research lays the groundwork for the control of complex elastic deformations of varying length scales via geometrical cues in materials that are renowned in the display industry for their stability and easy manipulability. PMID:27222582

  9. αAMG based on Weighted Matching for Systems of Elliptic PDEs Arising From Displacement and Mixed Methods

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    D'Ambra, P.; Vassilevski, P. S.

    2014-05-30

    Adaptive Algebraic Multigrid (or Multilevel) Methods (αAMG) are introduced to improve robustness and efficiency of classical algebraic multigrid methods in dealing with problems where no a-priori knowledge or assumptions on the near-null kernel of the underlined matrix are available. Recently we proposed an adaptive (bootstrap) AMG method, αAMG, aimed to obtain a composite solver with a desired convergence rate. Each new multigrid component relies on a current (general) smooth vector and exploits pairwise aggregation based on weighted matching in a matrix graph to define a new automatic, general-purpose coarsening process, which we refer to as “the compatible weighted matching”. Inmore » this work, we present results that broaden the applicability of our method to different finite element discretizations of elliptic PDEs. In particular, we consider systems arising from displacement methods in linear elasticity problems and saddle-point systems that appear in the application of the mixed method to Darcy problems.« less

  10. Lagrangian Visualization and Real-Time Identification of the Vortex Shedding Time in the Wake of a Circular Cylinder

    NASA Astrophysics Data System (ADS)

    Rockwood, Matthew P.

    The flow around a circular cylinder, a canonical bluff body, has been extensively studied in the literature to determine the mechanisms that cause the formation of vortices in the cylinder wake. Understanding of these mechanisms has led to myriad attempts to control the vortices either to mitigate the oscillating forces they cause, or to augment them in order to enhance mixing in the near-wake. While these flow control techniques have been effective at low Reynolds numbers, they generally lose effectiveness or require excessive power at Reynolds numbers commonly experienced in practical applications. For this reason, new methods for identifying the locations of vortices and their shedding time could increase the effectiveness of the control techniques. In the current work, two-dimensional, two-component velocity data was collected in the wake of a circular cylinder using a planar digital particle image velocimetry (DPIV) measurement system at Reynolds numbers of 9,000 and 19,000. This experimental data, as well as two-dimensional simulation data at a Reynolds number of 150, and three-dimensional simulation data at a Reynolds number of 400, is used to calculate the finite-time Lyapunov exponent (FTLE) field. The locations of Lagrangian saddles, identified as non-parallel intersections of positive and negative time FTLE ridges, are shown to indicate the timing of von Karman vortex shedding in the wake of a circular cylinder. The Lagrangian saddle found upstream of a forming and subsequently shedding vortex is shown to clearly accelerate away from the cylinder surface as the vortex begins to shed. This provides a novel, objective method to determine the timing of vortex shedding. The saddles are impossible to track in real-time, however, since future flow field data is needed for the computation of the FTLE fields. In order to detect the Lagrangian saddle acceleration without direct access to the FTLE, the saddle dynamics are connected to measurable surface quantities on a circular cylinder in crossflow. The acceleration of the Lagrangian saddle occurs simultaneously with a maximum in lift in both numerical cases, and with a minimum in the static pressure at a location slightly upstream of the mean separation location in the numerical cases, as well as the experimental data at a Reynolds number of 19,000. This allows the von Karman vortex shedding time, determined objectively by the acceleration of the Lagrangian saddle away from the circular cylinder, to be detected by a minimum in the static pressure at one location on the cylinder, a quantity that can be measured in real-time using available pressure sensors. These results can be used to place sensors in optimal locations on bluff bodies to inform closed-loop flow control algorithms of the timing of von Karman vortex shedding.

  11. Comparison of saddle, lumbar epidural and caudal blocks on anal sphincter tone: A prospective, randomized study.

    PubMed

    Shon, Yoon-Jung; Huh, Jin; Kang, Sung-Sik; Bae, Seung-Kil; Kang, Ryeong-Ah; Kim, Duk-Kyung

    2016-10-01

    Objective To compare the effects of saddle, lumbar epidural and caudal blocks on anal sphincter tone using anorectal manometry. Methods Patients undergoing elective anorectal surgery with regional anaesthesia were divided randomly into three groups and received a saddle (SD), lumbar epidural (LE), or caudal (CD) block. Anorectal manometry was performed before and 30 min after each regional block. The degree of motor blockade of the anal sphincter was compared using the maximal resting pressure (MRP) and the maximal squeezing pressure (MSP). Results The study analysis population consisted of 49 patients (SD group, n = 18; LE group, n = 16; CD group, n = 15). No significant differences were observed in the percentage inhibition of the MRP among the three regional anaesthetic groups. However, percentage inhibition of the MSP was significantly greater in the SD group (83.6 ± 13.7%) compared with the LE group (58.4 ± 19.8%) and the CD group (47.8 ± 16.9%). In all groups, MSP was reduced significantly more than MRP after each regional block. Conclusions Saddle block was more effective than lumbar epidural or caudal block for depressing anal sphincter tone. No differences were detected between lumbar epidural and caudal blocks.

  12. Model-Free Adaptive Control for Unknown Nonlinear Zero-Sum Differential Game.

    PubMed

    Zhong, Xiangnan; He, Haibo; Wang, Ding; Ni, Zhen

    2018-05-01

    In this paper, we present a new model-free globalized dual heuristic dynamic programming (GDHP) approach for the discrete-time nonlinear zero-sum game problems. First, the online learning algorithm is proposed based on the GDHP method to solve the Hamilton-Jacobi-Isaacs equation associated with optimal regulation control problem. By setting backward one step of the definition of performance index, the requirement of system dynamics, or an identifier is relaxed in the proposed method. Then, three neural networks are established to approximate the optimal saddle point feedback control law, the disturbance law, and the performance index, respectively. The explicit updating rules for these three neural networks are provided based on the data generated during the online learning along the system trajectories. The stability analysis in terms of the neural network approximation errors is discussed based on the Lyapunov approach. Finally, two simulation examples are provided to show the effectiveness of the proposed method.

  13. Paleoseismic evidence for late Holocene tectonic deformation along the Saddle mountain fault zone, Southeastern Olympic Peninsula, Washington

    USGS Publications Warehouse

    Barnett, Elizabeth; Sherrod, Brian; Hughes, Jonathan F.; Kelsey, Harvey M.; Czajkowski, Jessica L.; Walsh, Timothy J.; Contreras, Trevor A.; Schermer, Elizabeth R.; Carson, Robert J.

    2015-01-01

    Trench and wetland coring studies show that northeast‐striking strands of the Saddle Mountain fault zone ruptured the ground about 1000 years ago, generating prominent scarps. Three conspicuous subparallel fault scarps can be traced for 15 km on Light Detection and Ranging (LiDAR) imagery, traversing the foothills of the southeast Olympic Mountains: the Saddle Mountain east fault, the Saddle Mountain west fault, and the newly identified Sund Creek fault. Uplift of the Saddle Mountain east fault scarp impounded stream flow, forming Price Lake and submerging an existing forest, thereby leaving drowned stumps still rooted in place. Stratigraphy mapped in two trenches, one across the Saddle Mountain east fault and the other across the Sund Creek fault, records one and two earthquakes, respectively, as faulting juxtaposed Miocene‐age bedrock against glacial and postglacial deposits. Although the stratigraphy demonstrates that reverse motion generated the scarps, slip indicators measured on fault surfaces suggest a component of left‐lateral slip. From trench exposures, we estimate the postglacial slip rate to be 0.2  mm/yr and between 0.7 and 3.2  mm/yr during the past 3000 years. Integrating radiocarbon data from this study with earlier Saddle Mountain fault studies into an OxCal Bayesian statistical chronology model constrains the most recent paleoearthquake age of rupture across all three Saddle Mountain faults to 1170–970 calibrated years (cal B.P.), which overlaps with the nearby Mw 7.5 1050–1020 cal B.P. Seattle fault earthquake. An earlier earthquake recorded in the Sund Creek trench exposure, dates to around 3500 cal B.P. The geometry of the Saddle Mountain faults and their near‐synchronous rupture to nearby faults 1000 years ago suggest that the Saddle Mountain fault zone forms a western boundary fault along which the fore‐arc blocks migrate northward in response to margin‐parallel shortening across the Puget Lowland.

  14. Motion stability of the magnetic levitation and suspension with YBa2Cu3O7-x high-Tc superconducting bulks and NdFeB magnets

    NASA Astrophysics Data System (ADS)

    Li, Jipeng; Zheng, Jun; Huang, Huan; Li, Yanxing; Li, Haitao; Deng, Zigang

    2017-10-01

    The flux pinning effect of YBa2Cu3O7-x high temperature superconducting (HTS) bulk can achieve self-stable levitation over a permanent magnet or magnet array. Devices based on this phenomenon have been widely developed. However, the self-stable flux pinning effect is not unconditional, under disturbances, for example. To disclose the roots of this amazing self-stable levitation phenomenon in theory, mathematical and mechanical calculations using Lyapunov's stability theorem and the Hurwitz criterion were performed under the conditions of magnetic levitation and suspension of HTS bulk near permanent magnets in Halbach array. It is found that the whole dynamical system, in the case of levitation, has only one equilibrium solution, and the singular point is a stable focus. In the general case of suspension, the system has two singular points: one is a stable focus, and the other is an unstable saddle. With the variation of suspension force, the two first-order singular points mentioned earlier will get closer and closer, and finally degenerate to a high-order singular point, which means the stable region gets smaller and smaller, and finally vanishes. According to the center manifold theorem, the high-order singular point is unstable. With the interaction force varying, the HTS suspension dynamical system undergoes a saddle-node bifurcation. Moreover, a deficient damping can also decrease the stable region. These findings, together with existing experiments, could enlighten the improvement of HTS devices with strong anti-interference ability.

  15. Population collapse to extinction: the catastrophic combination of parasitism and Allee effect.

    PubMed

    Hilker, Frank M

    2010-01-01

    Infectious diseases are responsible for the extinction of a number of species. In conventional epidemic models, the transition from endemic population persistence to extirpation takes place gradually. However, if host demographics exhibits a strong Allee effect (AE) (population decline at low densities), extinction can occur abruptly in a catastrophic population crash. This might explain why species suddenly disappear even when they used to persist at high endemic population levels. Mathematically, the tipping point towards population collapse is associated with a saddle-node bifurcation. The underlying mechanism is the simultaneous population size depression and the increase of the extinction threshold due to parasite pathogenicity and Allee effect. Since highly pathogenic parasites cause their own extinction but not that of their host, there can be another saddle-node bifurcation with the re-emergence of two endemic equilibria. The implications for control interventions are discussed, suggesting that effective management may be possible for ℛ(0)≫1.

  16. Isogeometric analysis and harmonic stator-rotor coupling for simulating electric machines

    NASA Astrophysics Data System (ADS)

    Bontinck, Zeger; Corno, Jacopo; Schöps, Sebastian; De Gersem, Herbert

    2018-06-01

    This work proposes Isogeometric Analysis as an alternative to classical finite elements for simulating electric machines. Through the spline-based Isogeometric discretization it is possible to parametrize the circular arcs exactly, thereby avoiding any geometrical error in the representation of the air gap where a high accuracy is mandatory. To increase the generality of the method, and to allow rotation, the rotor and the stator computational domains are constructed independently as multipatch entities. The two subdomains are then coupled using harmonic basis functions at the interface which gives rise to a saddle-point problem. The properties of Isogeometric Analysis combined with harmonic stator-rotor coupling are presented. The results and performance of the new approach are compared to the ones for a classical finite element method using a permanent magnet synchronous machine as an example.

  17. The equilibrium molecular structures of cross-conjugated alkenes with particular reference to [3]- and [4]-dendralene from ab initio studies of various conformers

    NASA Astrophysics Data System (ADS)

    Palmer, Michael H.; Blair-Fish, John A.; Sherwood, Paul

    1997-07-01

    A study of the equilibrium structures and relative energies for the conformers of 3-methylenepenta-1,4-diene (MPD) and bis(3,4-methylene)-1,5-hexadiene (MHD) have been obtained by SCF and MP2 correlated methods; a double zeta+polarisation basis set (DZP) was used. Both planar and non-planar forms were evaluated for a variety of point groups. The force constants for each conformer were obtained, in order to determine whether the minima were saddle points rather than genuine minima owing to the constraints of molecular symmetry. For both molecules, all the non-planar forms studied were of lower energy than the best planar-forms. Indeed the planar structures are all saddle-points between the interconverting pairs of non-planar forms, as shown by one or more negative vibration frequencies for the planar molecules. The relative energies and structures of the different conformers of MPD and MHD are almost identical between the SCF and MP2 series, the MP2 calculations merely leading to slight extensions of the C=C bonds, minor changes in dihedral angles, and small changes otherwise. Because of the H⋯H interactions, all the planar forms showed considerable in-plane angle bending, and small but consistent H-C bond compressions were also obtained in the most hindered cases. The lowest energy conformer of MPD is a gauche-trans conformer, with symmetry C 1, but a second conformer of trans-trans type and C 2 symmetry lies only 6 kJ mol -1 above. The C 2 non-planar conformer of MHD containing (basically) trans-butadiene units is the lowest energy by a significant amount, but several trans-cis and cis-cis conformers were all identified as potential species for gas phase mixtures.

  18. Global bifurcations in fractional-order chaotic systems with an extended generalized cell mapping method

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Liu, Xiaojun; School of Mathematics and Statistics, Tianshui Normal University, Tianshui 741001; Hong, Ling, E-mail: hongling@mail.xjtu.edu.cn

    Global bifurcations include sudden changes in chaotic sets due to crises. There are three types of crises defined by Grebogi et al. [Physica D 7, 181 (1983)]: boundary crisis, interior crisis, and metamorphosis. In this paper, by means of the extended generalized cell mapping (EGCM), boundary and interior crises of a fractional-order Duffing system are studied as one of the system parameters or the fractional derivative order is varied. It is found that a crisis can be generally defined as a collision between a chaotic basic set and a basic set, either periodic or chaotic, to cause a sudden discontinuousmore » change in chaotic sets. Here chaotic sets involve three different kinds: a chaotic attractor, a chaotic saddle on a fractal basin boundary, and a chaotic saddle in the interior of a basin and disjoint from the attractor. A boundary crisis results from the collision of a periodic (or chaotic) attractor with a chaotic (or regular) saddle in the fractal (or smooth) boundary. In such a case, the attractor, together with its basin of attraction, is suddenly destroyed as the control parameter passes through a critical value, leaving behind a chaotic saddle in the place of the original attractor and saddle after the crisis. An interior crisis happens when an unstable chaotic set in the basin of attraction collides with a periodic attractor, which causes the appearance of a new chaotic attractor, while the original attractor and the unstable chaotic set are converted to the part of the chaotic attractor after the crisis. These results further demonstrate that the EGCM is a powerful tool to reveal the mechanism of crises in fractional-order systems.« less

  19. Communication: Prediction of the rate constant of bimolecular hydrogen exchange in the water dimer using an ab initio potential energy surface.

    PubMed

    Wang, Yimin; Bowman, Joel M; Huang, Xinchuan

    2010-09-21

    We report the properties of two novel transition states of the bimolecular hydrogen exchange reaction in the water dimer, based on an ab initio water dimer potential [A. Shank et al., J. Chem. Phys. 130, 144314 (2009)]. The realism of the two transition states is assessed by comparing structures, energies, and harmonic frequencies obtained from the potential energy surface and new high-level ab initio calculations. The rate constant for the exchange is obtained using conventional transition state theory with a tunneling correction. We employ a one-dimensional approach for the tunneling calculations using a relaxed potential from the full-dimensional potential in the imaginary-frequency normal mode of the saddle point, Q(im). The accuracy of this one-dimensional approach has been shown for the ground-state tunneling splittings for H and D-transfer in malonaldehyde and for the D+H(2) reaction [Y. Wang and J. M. Bowman, J. Chem. Phys. 129, 121103 (2008)]. This approach is applied to calculate the rate constant for the H(2)O+H(2)O exchange and also for H(2)O+D(2)O→2HOD. The local zero-point energy is also obtained using diffusion Monte Carlo calculations in the space of real-frequency-saddle-point normal modes, as a function of Q(im).

  20. 46 CFR 64.29 - Tank saddles.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 2 2011-10-01 2011-10-01 false Tank saddles. 64.29 Section 64.29 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) MARINE ENGINEERING MARINE PORTABLE TANKS AND CARGO HANDLING SYSTEMS Standards for an MPT § 64.29 Tank saddles. If a tank is not completely supported by a framework...

  1. 46 CFR 64.29 - Tank saddles.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 2 2013-10-01 2013-10-01 false Tank saddles. 64.29 Section 64.29 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) MARINE ENGINEERING MARINE PORTABLE TANKS AND CARGO HANDLING SYSTEMS Standards for an MPT § 64.29 Tank saddles. If a tank is not completely supported by a framework...

  2. 46 CFR 64.29 - Tank saddles.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 2 2010-10-01 2010-10-01 false Tank saddles. 64.29 Section 64.29 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) MARINE ENGINEERING MARINE PORTABLE TANKS AND CARGO HANDLING SYSTEMS Standards for an MPT § 64.29 Tank saddles. If a tank is not completely supported by a framework...

  3. 46 CFR 64.29 - Tank saddles.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 2 2012-10-01 2012-10-01 false Tank saddles. 64.29 Section 64.29 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) MARINE ENGINEERING MARINE PORTABLE TANKS AND CARGO HANDLING SYSTEMS Standards for an MPT § 64.29 Tank saddles. If a tank is not completely supported by a framework...

  4. 46 CFR 64.29 - Tank saddles.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 2 2014-10-01 2014-10-01 false Tank saddles. 64.29 Section 64.29 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) MARINE ENGINEERING MARINE PORTABLE TANKS AND CARGO HANDLING SYSTEMS Standards for an MPT § 64.29 Tank saddles. If a tank is not completely supported by a framework...

  5. Dynamics of polymers: A mean-field theory

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Fredrickson, Glenn H.; Materials Research Laboratory, University of California, Santa Barbara, California 93106; Department of Materials, University of California, Santa Barbara, California 93106

    2014-02-28

    We derive a general mean-field theory of inhomogeneous polymer dynamics; a theory whose form has been speculated and widely applied, but not heretofore derived. Our approach involves a functional integral representation of a Martin-Siggia-Rose (MSR) type description of the exact many-chain dynamics. A saddle point approximation to the generating functional, involving conditions where the MSR action is stationary with respect to a collective density field ρ and a conjugate MSR response field ϕ, produces the desired dynamical mean-field theory. Besides clarifying the proper structure of mean-field theory out of equilibrium, our results have implications for numerical studies of polymer dynamicsmore » involving hybrid particle-field simulation techniques such as the single-chain in mean-field method.« less

  6. The numerical calculation of laminar boundary-layer separation

    NASA Technical Reports Server (NTRS)

    Klineberg, J. M.; Steger, J. L.

    1974-01-01

    Iterative finite-difference techniques are developed for integrating the boundary-layer equations, without approximation, through a region of reversed flow. The numerical procedures are used to calculate incompressible laminar separated flows and to investigate the conditions for regular behavior at the point of separation. Regular flows are shown to be characterized by an integrable saddle-type singularity that makes it difficult to obtain numerical solutions which pass continuously into the separated region. The singularity is removed and continuous solutions ensured by specifying the wall shear distribution and computing the pressure gradient as part of the solution. Calculated results are presented for several separated flows and the accuracy of the method is verified. A computer program listing and complete solution case are included.

  7. Viscous interaction of flow redevelopment after flow reattachment with supersonic external streams

    NASA Technical Reports Server (NTRS)

    Chow, W. L.; Spring, D. J.

    1975-01-01

    A flow model has been developed to study the flow development after reattachment with supersonic external streams. Special attention is given to the pressure difference across the viscous layer, and it is suggested that such a flow redevelopment can be treated as a relaxation of this pressure difference. Upon correlating the pressure difference with a slope parameter of the velocity profile, the system of equations governing the flow would produce a saddle point singularity corresponding to the fully rehabilitated asymptotic flow condition. A method of calculation for this flowfield, in conjunction with the matching of the upstream flow, has been derived and is discussed. Samples of calculations are also presented. Reasonably good agreement with experimental data has also been observed.

  8. Local and global dynamics of Ramsey model: From continuous to discrete time.

    PubMed

    Guzowska, Malgorzata; Michetti, Elisabetta

    2018-05-01

    The choice of time as a discrete or continuous variable may radically affect equilibrium stability in an endogenous growth model with durable consumption. In the continuous-time Ramsey model [F. P. Ramsey, Econ. J. 38(152), 543-559 (1928)], the steady state is locally saddle-path stable with monotonic convergence. However, in the discrete-time version, the steady state may be unstable or saddle-path stable with monotonic or oscillatory convergence or periodic solutions [see R.-A. Dana et al., Handbook on Optimal Growth 1 (Springer, 2006) and G. Sorger, Working Paper No. 1505 (2015)]. When this occurs, the discrete-time counterpart of the continuous-time model is not consistent with the initial framework. In order to obtain a discrete-time Ramsey model preserving the main properties of the continuous-time counterpart, we use a general backward and forward discretisation as initially proposed by Bosi and Ragot [Theor. Econ. Lett. 2(1), 10-15 (2012)]. The main result of the study here presented is that, with this hybrid discretisation method, fixed points and local dynamics do not change. For what it concerns global dynamics, i.e., long-run behavior for initial conditions taken on the state space, we mainly perform numerical analysis with the main scope of comparing both qualitative and quantitative evolution of the two systems, also varying some parameters of interest.

  9. Local and global dynamics of Ramsey model: From continuous to discrete time

    NASA Astrophysics Data System (ADS)

    Guzowska, Malgorzata; Michetti, Elisabetta

    2018-05-01

    The choice of time as a discrete or continuous variable may radically affect equilibrium stability in an endogenous growth model with durable consumption. In the continuous-time Ramsey model [F. P. Ramsey, Econ. J. 38(152), 543-559 (1928)], the steady state is locally saddle-path stable with monotonic convergence. However, in the discrete-time version, the steady state may be unstable or saddle-path stable with monotonic or oscillatory convergence or periodic solutions [see R.-A. Dana et al., Handbook on Optimal Growth 1 (Springer, 2006) and G. Sorger, Working Paper No. 1505 (2015)]. When this occurs, the discrete-time counterpart of the continuous-time model is not consistent with the initial framework. In order to obtain a discrete-time Ramsey model preserving the main properties of the continuous-time counterpart, we use a general backward and forward discretisation as initially proposed by Bosi and Ragot [Theor. Econ. Lett. 2(1), 10-15 (2012)]. The main result of the study here presented is that, with this hybrid discretisation method, fixed points and local dynamics do not change. For what it concerns global dynamics, i.e., long-run behavior for initial conditions taken on the state space, we mainly perform numerical analysis with the main scope of comparing both qualitative and quantitative evolution of the two systems, also varying some parameters of interest.

  10. Seven lessons from manyfield inflation in random potentials

    NASA Astrophysics Data System (ADS)

    Dias, Mafalda; Frazer, Jonathan; Marsh, M. C. David

    2018-01-01

    We study inflation in models with many interacting fields subject to randomly generated scalar potentials. We use methods from non-equilibrium random matrix theory to construct the potentials and an adaption of the `transport method' to evolve the two-point correlators during inflation. This construction allows, for the first time, for an explicit study of models with up to 100 interacting fields supporting a period of `approximately saddle-point' inflation. We determine the statistical predictions for observables by generating over 30,000 models with 2–100 fields supporting at least 60 efolds of inflation. These studies lead us to seven lessons: i) Manyfield inflation is not single-field inflation, ii) The larger the number of fields, the simpler and sharper the predictions, iii) Planck compatibility is not rare, but future experiments may rule out this class of models, iv) The smoother the potentials, the sharper the predictions, v) Hyperparameters can transition from stiff to sloppy, vi) Despite tachyons, isocurvature can decay, vii) Eigenvalue repulsion drives the predictions. We conclude that many of the `generic predictions' of single-field inflation can be emergent features of complex inflation models.

  11. Tunable strength saddle-point contacts impact on quantum rings transmission

    NASA Astrophysics Data System (ADS)

    González, J. J.; Diago-Cisneros, L.

    2016-09-01

    A particular subject of investigation is the role of several sadle-point contact (QPC) parameters on the scattering properties of an Aharonov-Bohm-Aharonov-Casher quantum ring (QR) under Rashba-type spin orbit interaction. We discuss the interplay of the conductance with the confinement strengths and height of the QPC, which yields new and tunable harmonic and non-harmonics patterns, while one manipulates these constriction parameters. This phenomenology may be of utility to implement a novel way to modulate spin interference effects in semiconducting QRs, providing an appealing test-platform for spintronics applications.

  12. Neural network approach to time-dependent dividing surfaces in classical reaction dynamics.

    PubMed

    Schraft, Philippe; Junginger, Andrej; Feldmaier, Matthias; Bardakcioglu, Robin; Main, Jörg; Wunner, Günter; Hernandez, Rigoberto

    2018-04-01

    In a dynamical system, the transition between reactants and products is typically mediated by an energy barrier whose properties determine the corresponding pathways and rates. The latter is the flux through a dividing surface (DS) between the two corresponding regions, and it is exact only if it is free of recrossings. For time-independent barriers, the DS can be attached to the top of the corresponding saddle point of the potential energy surface, and in time-dependent systems, the DS is a moving object. The precise determination of these direct reaction rates, e.g., using transition state theory, requires the actual construction of a DS for a given saddle geometry, which is in general a demanding methodical and computational task, especially in high-dimensional systems. In this paper, we demonstrate how such time-dependent, global, and recrossing-free DSs can be constructed using neural networks. In our approach, the neural network uses the bath coordinates and time as input, and it is trained in a way that its output provides the position of the DS along the reaction coordinate. An advantage of this procedure is that, once the neural network is trained, the complete information about the dynamical phase space separation is stored in the network's parameters, and a precise distinction between reactants and products can be made for all possible system configurations, all times, and with little computational effort. We demonstrate this general method for two- and three-dimensional systems and explain its straightforward extension to even more degrees of freedom.

  13. Neural network approach to time-dependent dividing surfaces in classical reaction dynamics

    NASA Astrophysics Data System (ADS)

    Schraft, Philippe; Junginger, Andrej; Feldmaier, Matthias; Bardakcioglu, Robin; Main, Jörg; Wunner, Günter; Hernandez, Rigoberto

    2018-04-01

    In a dynamical system, the transition between reactants and products is typically mediated by an energy barrier whose properties determine the corresponding pathways and rates. The latter is the flux through a dividing surface (DS) between the two corresponding regions, and it is exact only if it is free of recrossings. For time-independent barriers, the DS can be attached to the top of the corresponding saddle point of the potential energy surface, and in time-dependent systems, the DS is a moving object. The precise determination of these direct reaction rates, e.g., using transition state theory, requires the actual construction of a DS for a given saddle geometry, which is in general a demanding methodical and computational task, especially in high-dimensional systems. In this paper, we demonstrate how such time-dependent, global, and recrossing-free DSs can be constructed using neural networks. In our approach, the neural network uses the bath coordinates and time as input, and it is trained in a way that its output provides the position of the DS along the reaction coordinate. An advantage of this procedure is that, once the neural network is trained, the complete information about the dynamical phase space separation is stored in the network's parameters, and a precise distinction between reactants and products can be made for all possible system configurations, all times, and with little computational effort. We demonstrate this general method for two- and three-dimensional systems and explain its straightforward extension to even more degrees of freedom.

  14. Assessment of dental student posture in two seating conditions using RULA methodology - a pilot study.

    PubMed

    Gandavadi, A; Ramsay, J R E; Burke, F J T

    2007-11-24

    To assess dental students' posture on two different seats in order to determine if one seat predisposes to a difference in working posture. A between-subject experimental design was selected. The study was undertaken at the University of Birmingham School of Dentistry in 2006. Subjects (materials) and methods Sixty second year dental students at the University of Birmingham who were attending their fi rst classes in the phantom head laboratory were randomly selected and allocated to two different seats (30 Bambach Saddle Seats and 30 conventional seats). Students were trained in the use of the seats. After ten weeks, the students were observed, photographs were taken by the researcher and these were assessed using Rapid Upper Limb Assessment (RULA). The posture of the students was assessed using the RULA. Each student was given a risk score. A Mann Whitney test was used for statistical analysis. The results indicated that the students using the conventional seat recorded significantly higher risk scores (p <0.05) when compared with the students using Bambach Saddle Seat, suggesting an improvement in posture when using the Bambach Saddle Seat. RULA has identified that dental students using a Bambach Saddle Seat were able to maintain an acceptable working posture during simulated dental treatment and this seating may reduce the development of work-related musculoskeletal disorders.

  15. Stellarator Saddle Coils

    NASA Astrophysics Data System (ADS)

    Boozer, Allen H.

    1999-11-01

    Modern stellarators are designed using J. Nuehrenberg’s method of varying Fourier coefficients in the shape of the plasma boundary to maximize a target function. The matrix of second derivatives of the target function at the optimum determines a quality matrix. This matrix gives the degradation in the quality of the configuration as the normal magnetic field is varied on a control surface, which lies on or outside the plasma surface. The task is finding saddle coils that produce the desired configuration in the presence of a given toroidal field. An eigenvector of the quality matrix can be important for two reasons: (1) the normal field that must be produced by the saddles is large or (2) the eigenvalue is large (an island-causing resonant perturbation). The rank of the important part of the quality matrix is the number of important eigenvectors. The current in each saddle coil produces a normal field on the control surface, which can be described by an inductance matrix. The relevant part of the inductance matrix has large eigenvalues. The coils can produce the configuration if the rank of the important part of the quality matrix and its product with the relevant part of the inductance matrix are the same. Existing coil design codes, pioneered by P. Merkel, approximate the quality matrix by the unit matrix. Stellarator flexibility could be enhanced by using a more realistic quality matrix and by using trim coils to balance large eigenvalues.

  16. 78 FR 36164 - Tongass National Forest; Ketchikan-Misty Fiords Ranger District; Alaska; Saddle Lakes Timber Sale...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-06-17

    ... District; Alaska; Saddle Lakes Timber Sale Environmental Impact Statement AGENCY: Forest Service, USDA... Notice of Intent (NOI) to prepare an Environmental Impact Statement for the Saddle Lakes Timber Sale... management plans documented with a Record of Decision or Decision Notice (reference 36 CFR part 218). This...

  17. Phase space analysis for a scalar-tensor model with kinetic and Gauss-Bonnet couplings

    NASA Astrophysics Data System (ADS)

    Granda, L. N.; Loaiza, E.

    2016-09-01

    We study the phase space for a scalar-tensor string inspired model of dark energy with nonminimal kinetic and Gauss-Bonnet couplings. The form of the scalar potential and of the coupling terms is of the exponential type, which gives rise to appealing cosmological solutions. The critical points describe a variety of cosmological scenarios that go from a matter or radiation dominated universe to a dark energy dominated universe. Trajectories were found in the phase space departing from unstable or saddle fixed points and arriving at the stable scalar field dominated point corresponding to late-time accelerated expansion.

  18. Deconstructing zero: resurgence, supersymmetry and complex saddles

    DOE PAGES

    Dunne, Gerald V.; Ünsal, Mithat

    2016-12-01

    We explain how a vanishing, or truncated, perturbative expansion, such as often arises in semi-classically tractable supersymmetric theories, can nevertheless be related to fluctuations about non-perturbative sectors via resurgence. We also demonstrate that, in the same class of theories, the vanishing of the ground state energy (unbroken supersymmetry) can be attributed to the cancellation between a real saddle and a complex saddle (with hidden topological angle π), and positivity of the ground state energy (broken supersymmetry) can be interpreted as the dominance of complex saddles. In either case, despite the fact that the ground state energy is zero to allmore » orders in perturbation theory, all orders of fluctuations around non-perturbative saddles are encoded in the perturbative E (N, g). Finally, we illustrate these ideas with examples from supersymmetric quantum mechanics and quantum field theory.« less

  19. Sediment oxygen demand in the Saddle River and Salem River watersheds, New Jersey, July-August 2008

    USGS Publications Warehouse

    Heckathorn, Heather A.; Gibs, Jacob

    2010-01-01

    Many factors, such as river depth and velocity, biochemical oxygen demand, and algal productivity, as well as sediment oxygen demand, can affect the concentration of dissolved oxygen in the water column. Measurements of sediment oxygen demand, in conjunction with those of other water-column water-quality constituents, are useful for quantifying the mechanisms that affect in-stream dissolved-oxygen concentrations. Sediment-oxygen-demand rates are also needed to develop and calibrate a water-quality model being developed for the Saddle River and Salem River Basins in New Jersey to predict dissolved-oxygen concentrations. This report documents the methods used to measure sediment oxygen demand in the Saddle River and Salem River watersheds along with the rates of sediment oxygen demand that were obtained during this investigation. In July and August 2008, sediment oxygen demand was measured in situ in the Saddle River and Salem River watersheds. In the Saddle River Basin, sediment oxygen demand was measured twice at two sites and once at a third location; in the Salem River Basin, sediment oxygen demand was measured three times at two sites and once at a third location. In situ measurements of sediment oxygen demand in the Saddle River and Salem River watersheds ranged from 0.8 to 1.4 g/m2d (grams per square meter per day) and from 0.6 to 7.1 g/m2d at 20 degrees Celsius, respectively. Except at one site in this study, rates of sediment oxygen demand generally were low. The highest rate of sediment oxygen demand measured during this investigation, 7.1 g/m2d, which occurred at Courses Landing in the Salem River Basin, may be attributable to the consumption of oxygen by a large amount of organic matter (54 grams per kilogram as organic carbon) in the streambed sediments or to potential error during data collection. In general, sediment oxygen demand increased with the concentration of organic carbon in the streambed sediments. Repeated measurements made 6 to 7 days apart at the same site locations resulted in similar values.

  20. Surface-Streamline Flow Visualization

    NASA Technical Reports Server (NTRS)

    Langston, L.; Boyle, M.

    1985-01-01

    Matrix of ink dots covers matte surface of polyester drafting film. Film placed against wind-tunnel wall. Layer of methyl salicylate (oil of wintergreen) sprayed over dotted area. Ink dot streaklines show several characteristics of flow, including primary saddle point of separations, primary horseshoe vortex and smaller vortex at cylinder/ endwall junction. Surface streamline flow visualization technique suitable for use in low-speed windtunnels or other low-speed gas flows.

  1. Communication: A new ab initio potential energy surface for HCl-H2O, diffusion Monte Carlo calculations of D0 and a delocalized zero-point wavefunction.

    PubMed

    Mancini, John S; Bowman, Joel M

    2013-03-28

    We report a global, full-dimensional, ab initio potential energy surface describing the HCl-H2O dimer. The potential is constructed from a permutationally invariant fit, using Morse-like variables, to over 44,000 CCSD(T)-F12b∕aug-cc-pVTZ energies. The surface describes the complex and dissociated monomers with a total RMS fitting error of 24 cm(-1). The normal modes of the minima, low-energy saddle point and separated monomers, the double minimum isomerization pathway and electronic dissociation energy are accurately described by the surface. Rigorous quantum mechanical diffusion Monte Carlo (DMC) calculations are performed to determine the zero-point energy and wavefunction of the complex and the separated fragments. The calculated zero-point energies together with a De value calculated from CCSD(T) with a complete basis set extrapolation gives a D0 value of 1348 ± 3 cm(-1), in good agreement with the recent experimentally reported value of 1334 ± 10 cm(-1) [B. E. Casterline, A. K. Mollner, L. C. Ch'ng, and H. Reisler, J. Phys. Chem. A 114, 9774 (2010)]. Examination of the DMC wavefunction allows for confident characterization of the zero-point geometry to be dominant at the C(2v) double-well saddle point and not the C(s) global minimum. Additional support for the delocalized zero-point geometry is given by numerical solutions to the 1D Schrödinger equation along the imaginary-frequency out-of-plane bending mode, where the zero-point energy is calculated to be 52 cm(-1) above the isomerization barrier. The D0 of the fully deuterated isotopologue is calculated to be 1476 ± 3 cm(-1), which we hope will stand as a benchmark for future experimental work.

  2. 23 CFR 658.5 - Definitions.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... truck tractors, each connected by a saddle to the frame or fifth wheel of the forward vehicle of the..., deck, or plate mounted behind the cab and forward of the fifth wheel on the frame of the power unit of... saddle to the frame or fifth wheel of the vehicle in front of it. The saddle is a mechanism that connects...

  3. 23 CFR 658.5 - Definitions.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... truck tractors, each connected by a saddle to the frame or fifth wheel of the forward vehicle of the..., deck, or plate mounted behind the cab and forward of the fifth wheel on the frame of the power unit of... saddle to the frame or fifth wheel of the vehicle in front of it. The saddle is a mechanism that connects...

  4. 23 CFR 658.5 - Definitions.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... truck tractors, each connected by a saddle to the frame or fifth wheel of the forward vehicle of the..., deck, or plate mounted behind the cab and forward of the fifth wheel on the frame of the power unit of... saddle to the frame or fifth wheel of the vehicle in front of it. The saddle is a mechanism that connects...

  5. 23 CFR 658.5 - Definitions.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... truck tractors, each connected by a saddle to the frame or fifth wheel of the forward vehicle of the..., deck, or plate mounted behind the cab and forward of the fifth wheel on the frame of the power unit of... saddle to the frame or fifth wheel of the vehicle in front of it. The saddle is a mechanism that connects...

  6. Conjugate gradient filtering of instantaneous normal modes, saddles on the energy landscape, and diffusion in liquids.

    PubMed

    Chowdhary, J; Keyes, T

    2002-02-01

    Instantaneous normal modes (INM's) are calculated during a conjugate-gradient (CG) descent of the potential energy landscape, starting from an equilibrium configuration of a liquid or crystal. A small number (approximately equal to 4) of CG steps removes all the Im-omega modes in the crystal and leaves the liquid with diffusive Im-omega which accurately represent the self-diffusion constant D. Conjugate gradient filtering appears to be a promising method, applicable to any system, of obtaining diffusive modes and facilitating INM theory of D. The relation of the CG-step dependent INM quantities to the landscape and its saddles is discussed.

  7. Preconditioned Mixed Spectral Element Methods for Elasticity and Stokes Problems

    NASA Technical Reports Server (NTRS)

    Pavarino, Luca F.

    1996-01-01

    Preconditioned iterative methods for the indefinite systems obtained by discretizing the linear elasticity and Stokes problems with mixed spectral elements in three dimensions are introduced and analyzed. The resulting stiffness matrices have the structure of saddle point problems with a penalty term, which is associated with the Poisson ratio for elasticity problems or with stabilization techniques for Stokes problems. The main results of this paper show that the convergence rate of the resulting algorithms is independent of the penalty parameter, the number of spectral elements Nu and mildly dependent on the spectral degree eta via the inf-sup constant. The preconditioners proposed for the whole indefinite system are block-diagonal and block-triangular. Numerical experiments presented in the final section show that these algorithms are a practical and efficient strategy for the iterative solution of the indefinite problems arising from mixed spectral element discretizations of elliptic systems.

  8. Mixed Arlequin method for multiscale poromechanics problems: Mixed Arlequin method for multiscale poromechanics problems

    DOE PAGES

    Sun, WaiChing; Cai, Zhijun; Choo, Jinhyun

    2016-11-18

    An Arlequin poromechanics model is introduced to simulate the hydro-mechanical coupling effects of fluid-infiltrated porous media across different spatial scales within a concurrent computational framework. A two-field poromechanics problem is first recast as the twofold saddle point of an incremental energy functional. We then introduce Lagrange multipliers and compatibility energy functionals to enforce the weak compatibility of hydro-mechanical responses in the overlapped domain. Here, to examine the numerical stability of this hydro-mechanical Arlequin model, we derive a necessary condition for stability, the twofold inf–sup condition for multi-field problems, and establish a modified inf–sup test formulated in the product space ofmore » the solution field. We verify the implementation of the Arlequin poromechanics model through benchmark problems covering the entire range of drainage conditions. Finally, through these numerical examples, we demonstrate the performance, robustness, and numerical stability of the Arlequin poromechanics model.« less

  9. On-the-fly transition search and applications to temperature-accelerated dynamics

    NASA Astrophysics Data System (ADS)

    Shim, Yunsic; Amar, Jacques

    2015-03-01

    Temperature-accelerated dynamics (TAD) is a powerful method to study non-equilibrium processes and has been providing surprising insights for a variety of systems. While serial TAD simulations have been limited by the roughly N3 increase in the computational cost as a function of the number of atoms N in the system, recently we have shown that by carrying out parallel TAD simulations which combine spatial decomposition with our semi-rigorous synchronous sublattice algorithm, significantly improved scaling is possible. However, in this approach the size of activated events is limited by the processor size while the dynamics is not exact. Here we discuss progress in improving the scaling of serial TAD by combining the use of on-the-fly transition searching with our previously developed localized saddle-point method. We demonstrate improved performance for the cases of Ag/Ag(100) annealing and Cu/Cu(100) growth. Supported by NSF DMR-1410840.

  10. Reconstruction of chaotic saddles by classification of unstable periodic orbits: Kuramoto-Sivashinsky equation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Saiki, Yoshitaka, E-mail: yoshi.saiki@r.hit-u.ac.jp; Yamada, Michio; Chian, Abraham C.-L.

    The unstable periodic orbits (UPOs) embedded in a chaotic attractor after an attractor merging crisis (MC) are classified into three subsets, and employed to reconstruct chaotic saddles in the Kuramoto-Sivashinsky equation. It is shown that in the post-MC regime, the two chaotic saddles evolved from the two coexisting chaotic attractors before crisis can be reconstructed from the UPOs embedded in the pre-MC chaotic attractors. The reconstruction also involves the detection of the mediating UPO responsible for the crisis, and the UPOs created after crisis that fill the gap regions of the chaotic saddles. We show that the gap UPOs originatemore » from saddle-node, period-doubling, and pitchfork bifurcations inside the periodic windows in the post-MC chaotic region of the bifurcation diagram. The chaotic attractor in the post-MC regime is found to be the closure of gap UPOs.« less

  11. Reconstruction of chaotic saddles by classification of unstable periodic orbits: Kuramoto-Sivashinsky equation.

    PubMed

    Saiki, Yoshitaka; Yamada, Michio; Chian, Abraham C-L; Miranda, Rodrigo A; Rempel, Erico L

    2015-10-01

    The unstable periodic orbits (UPOs) embedded in a chaotic attractor after an attractor merging crisis (MC) are classified into three subsets, and employed to reconstruct chaotic saddles in the Kuramoto-Sivashinsky equation. It is shown that in the post-MC regime, the two chaotic saddles evolved from the two coexisting chaotic attractors before crisis can be reconstructed from the UPOs embedded in the pre-MC chaotic attractors. The reconstruction also involves the detection of the mediating UPO responsible for the crisis, and the UPOs created after crisis that fill the gap regions of the chaotic saddles. We show that the gap UPOs originate from saddle-node, period-doubling, and pitchfork bifurcations inside the periodic windows in the post-MC chaotic region of the bifurcation diagram. The chaotic attractor in the post-MC regime is found to be the closure of gap UPOs.

  12. Strategic PSYOP Management: A Marketing Management Approach

    DTIC Science & Technology

    2005-03-01

    Armstrong, Gary & Kotler , Philip , (2005). Marketing: An Introduction. Upper Saddle River, New Jersey: Prentice Hall. Daft, Richard L., (2001). Essentials of...Briefing presented at the John F. Kennedy Special Warfare Center, Fort Bragg, North Carolina. Kotler , Philip , (2003). A Framework for Marketing...Management. Upper Saddle River, New Jersey: Prentice Hall. Kotler , Philip , & Armstrong, Gary, (2004). Principles of marketing. Upper Saddle River, New

  13. Classification of hyperbolic singularities of rank zero of integrable Hamiltonian systems

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Oshemkov, Andrey A

    2010-10-06

    A complete invariant is constructed that is a solution of the problem of semilocal classification of saddle singularities of integrable Hamiltonian systems. Namely, a certain combinatorial object (an f{sub n}-graph) is associated with every nondegenerate saddle singularity of rank zero; as a result, the problem of semilocal classification of saddle singularities of rank zero is reduced to the problem of enumeration of the f{sub n}-graphs. This enables us to describe a simple algorithm for obtaining the lists of saddle singularities of rank zero for a given number of degrees of freedom and a given complexity. Bibliography: 24 titles.

  14. Delivering Academic Excellence to Culturally Diverse Populations (Language Development through Math/Science Activities). Conference Proceedings (Saddle Brook, New Jersey, December 7-8, 1984).

    ERIC Educational Resources Information Center

    Bilotta, Cynthia, Ed.

    This document includes the proceedings of a conference that made the following points about American society now and in the future: (1) racial changes in demographics require preparing urban minority students for entrance into scientific and technological fields; (2) the science/mathematics education movement of the late 1950s into the 1970s has…

  15. Bifurcation Gaps in Asymmetric and High-Dimensional Hypercycles

    NASA Astrophysics Data System (ADS)

    Puig, Júlia; Farré, Gerard; Guillamon, Antoni; Fontich, Ernest; Sardanyés, Josep

    Hypercycles are catalytic systems with cyclic architecture. These systems have been suggested to play a key role in the maintenance and increase of information in prebiotic replicators. It is known that for a large enough number of hypercycle species (n > 4) the coexistence of all hypercycle members is governed by a stable periodic orbit. Previous research has characterized saddle-node (s-n) bifurcations involving abrupt transitions from stable hypercycles to extinction of all hypercycle members, or, alternatively, involving the outcompetition of the hypercycle by so-called mutant sequences or parasites. Recently, the presence of a bifurcation gap between a s-n bifurcation of periodic orbits and a s-n of fixed points has been described for symmetric five-member hypercycles. This gap was found between the value of the replication quality factor Q from which the periodic orbit vanishes (QPO) and the value where two unstable (nonzero) equilibrium points collide (QSS). Here, we explore the persistence of this gap considering asymmetries in replication rates in five-member hypercycles as well as considering symmetric, larger hypercycles. Our results indicate that both the asymmetry in Malthusian replication constants and the increase in hypercycle members enlarge the size of this gap. The implications of this phenomenon are discussed in the context of delayed transitions associated to the so-called saddle remnants.

  16. Thermodynamics of Terrestrial Evolution

    PubMed Central

    Kirkaldy, J. S.

    1965-01-01

    The causal element of biological evolution and development can be understood in terms of a potential function which is generalized from the variational principles of irreversible thermodynamics. This potential function is approximated by the rate of entropy production in a configuration space which admits of macroscopic excursions by fluctuation and regression as well as microscopic ones. Analogously to Onsager's dissipation function, the potential takes the form of a saddle surface in this configuration space. The path of evolution following from an initial high dissipation state within the fixed constraint provided by the invariant energy flux from the sun tends toward the stable saddle point by a series of spontaneous regressions which lower the entropy production rate and by an alternating series of spontaneous fluctuations which introduce new internal constraints and lead to a higher entropy production rate. The potential thus rationalizes the system's observed tendency toward “chemical imperialism” (high dissipation) while simultaneously accommodating the development of “dynamic efficiency” and complication (low dissipation). PMID:5884019

  17. From conformal blocks to path integrals in the Vaidya geometry

    NASA Astrophysics Data System (ADS)

    Anous, Tarek; Hartman, Thomas; Rovai, Antonin; Sonner, Julian

    2017-09-01

    Correlators in conformal field theory are naturally organized as a sum over conformal blocks. In holographic theories, this sum must reorganize into a path integral over bulk fields and geometries. We explore how these two sums are related in the case of a point particle moving in the background of a 3d collapsing black hole. The conformal block expansion is recast as a sum over paths of the first-quantized particle moving in the bulk geometry. Off-shell worldlines of the particle correspond to subdominant contributions in the Euclidean conformal block expansion, but these same operators must be included in order to correctly reproduce complex saddles in the Lorentzian theory. During thermalization, a complex saddle dominates under certain circumstances; in this case, the CFT correlator is not given by the Virasoro identity block in any channel, but can be recovered by summing heavy operators. This effectively converts the conformal block expansion in CFT from a sum over intermediate states to a sum over channels that mimics the bulk path integral.

  18. Local shape of pictorial relief

    PubMed Central

    Koenderink, Jan; van Doorn, Andrea; Wagemans, Johan

    2014-01-01

    How is pictorial relief represented in visual awareness? Certainly not as a “depth map,” but perhaps as a map of local surface attitudes (Koenderink & van Doorn, 1995). Here we consider the possibility that observers might instead, or concurrently, represent local surface shape, a geometrical invariant with respect to motions. Observers judge local surface shape, in a picture of a piece of sculpture, on a five-point categorical scale. Categories are cap–ridge–saddle–rut–cup–flat, where “flat” denotes the absence of shape. We find that observers readily perform such a task, with full resolution of a shape index scale (cap–ridge–saddle–rut–cup), and with excellent self-consistency over days. There exist remarkable inter-observer differences. Over a group of 10 naive observers we find that the dispersion of judgments peaks at the saddle category. There may be a relation of this finding to the history of the topic—Alberti's (1827) omission of the saddle category in his purportedly exhaustive catalog of local surface shapes. PMID:25469225

  19. Distributed least-squares estimation of a remote chemical source via convex combination in wireless sensor networks.

    PubMed

    Cao, Meng-Li; Meng, Qing-Hao; Zeng, Ming; Sun, Biao; Li, Wei; Ding, Cheng-Jun

    2014-06-27

    This paper investigates the problem of locating a continuous chemical source using the concentration measurements provided by a wireless sensor network (WSN). Such a problem exists in various applications: eliminating explosives or drugs, detecting the leakage of noxious chemicals, etc. The limited power and bandwidth of WSNs have motivated collaborative in-network processing which is the focus of this paper. We propose a novel distributed least-squares estimation (DLSE) method to solve the chemical source localization (CSL) problem using a WSN. The DLSE method is realized by iteratively conducting convex combination of the locally estimated chemical source locations in a distributed manner. Performance assessments of our method are conducted using both simulations and real experiments. In the experiments, we propose a fitting method to identify both the release rate and the eddy diffusivity. The results show that the proposed DLSE method can overcome the negative interference of local minima and saddle points of the objective function, which would hinder the convergence of local search methods, especially in the case of locating a remote chemical source.

  20. Baryon number violation and nonperturbative weak processes at Superconducting Super Collider energies

    NASA Astrophysics Data System (ADS)

    Shuryak, E. V.; Verbaarschot, J. J. M.

    1992-04-01

    Baryon number violation and multiple production of W and Higgs bosons are described semiclassically in terms of the instanton-anti-instanton valley. We find (i) two saddle points, one describing reflection from a barrier and the other describing tunneling through it. We find (ii) a critical energy Ec~35 TeV where the cross section is suppressed as exp(-const/g2w), but the formulas are no longer valid; (iii) however, depending on the (still uncertain) Higgs bosson action, the cross section at this point may be large enough to be observable.

  1. Molecular structures and intramolecular dynamics of pentahalides

    NASA Astrophysics Data System (ADS)

    Ischenko, A. A.

    2017-03-01

    This paper reviews advances of modern gas electron diffraction (GED) method combined with high-resolution spectroscopy and quantum chemical calculations in studies of the impact of intramolecular dynamics in free molecules of pentahalides. Some recently developed approaches to the electron diffraction data interpretation, based on direct incorporation of the adiabatic potential energy surface parameters to the diffraction intensity are described. In this way, complementary data of different experimental and computational methods can be directly combined for solving problems of the molecular structure and its dynamics. The possibility to evaluate some important parameters of the adiabatic potential energy surface - barriers to pseudorotation and saddle point of intermediate configuration from diffraction intensities in solving the inverse GED problem is demonstrated on several examples. With increasing accuracy of the electron diffraction intensities and the development of the theoretical background of electron scattering and data interpretation, it has become possible to investigate complex nuclear dynamics in fluxional systems by the GED method. Results of other research groups are also included in the discussion.

  2. MIT-Skywalker: Evaluating comfort of bicycle/saddle seat.

    PubMed

    Goncalves, Rogerio S; Hamilton, Taya; Daher, Ali R; Hirai, Hiroaki; Krebs, Hermano I

    2017-07-01

    The MIT-Skywalker is a robotic device developed for the rehabilitation of gait and balance after a neurological injury. This device has been designed based on the concept of a passive walker and provides three distinct training modes: discrete movement, rhythmic movement, and balance training. In this paper, we present our efforts to evaluate the comfort of a bicycle/saddle seat design for the system's novel actuated body weight support device. We employed different bicycle and saddle seats and evaluated comfort using objective and subjective measures. Here we will summarize the results obtained from a study of fifteen healthy subjects and one stroke patient that led to the selection of a saddle seat design for the MIT-Skywalker.

  3. The Taylor saddle effacement: a new technique for correction of saddle nose deformity.

    PubMed

    Taylor, S Mark; Rigby, Matthew H

    2008-02-01

    To describe a novel technique, the Taylor saddle effacement (TSE), for correction of saddle nose deformity using autologous grafts from the lower lateral cartilages. A prospective evaluation of six patients, all of whom had the TSE performed. Photographs were taken in combination with completion of a rhinoplasty outcomes questionnaire preoperatively and at 6 months. The questionnaire included a visual analogue scale (VAS) of nasal breathing and a rhinoplasty outcomes evaluation (ROE) of nasal function and esthetics. All six patients had improvement in both their global nasal airflow on the VAS and on their ROE that was statistically significant. The mean preoperative VAS score was 5.8 compared with our postoperative mean of 8.5 of a possible 10. Mean ROE scores improved from 34.7 to 85.5. At 6 months, all patients felt that their nasal appearance had improved. The TSE is a simple and reliable technique for correction of saddle nose deformity. This prospective study has demonstrated improvement in both nasal function and esthetics when it is employed.

  4. A new contrast-assisted method in microcirculation volumetric flow assessment

    NASA Astrophysics Data System (ADS)

    Lu, Sheng-Yi; Chen, Yung-Sheng; Yeh, Chih-Kuang

    2007-03-01

    Microcirculation volumetric flow rate is a significant index in diseases diagnosis and treatment such as diabetes and cancer. In this study, we propose an integrated algorithm to assess microcirculation volumetric flow rate including estimation of blood perfused area and corresponding flow velocity maps based on high frequency destruction/contrast replenishment imaging technique. The perfused area indicates the blood flow regions including capillaries, arterioles and venules. Due to the echo variance changes between ultrasonic contrast agents (UCAs) pre- and post-destruction two images, the perfused area can be estimated by the correlation-based approach. The flow velocity distribution within the perfused area can be estimated by refilling time-intensity curves (TICs) after UCAs destruction. Most studies introduced the rising exponential model proposed by Wei (1998) to fit the TICs. Nevertheless, we found the TICs profile has a great resemblance to sigmoid function in simulations and in vitro experiments results. Good fitting correlation reveals that sigmoid model was more close to actual fact in describing destruction/contrast replenishment phenomenon. We derived that the saddle point of sigmoid model is proportional to blood flow velocity. A strong linear relationship (R = 0.97) between the actual flow velocities (0.4-2.1 mm/s) and the estimated saddle constants was found in M-mode and B-mode flow phantom experiments. Potential applications of this technique include high-resolution volumetric flow rate assessment in small animal tumor and the evaluation of superficial vasculature in clinical studies.

  5. Gaussian windows: A tool for exploring multivariate data

    NASA Technical Reports Server (NTRS)

    Jaeckel, Louis A.

    1990-01-01

    Presented here is a method for interactively exploring a large set of quantitative multivariate data, in order to estimate the shape of the underlying density function. It is assumed that the density function is more or less smooth, but no other specific assumptions are made concerning its structure. The local structure of the data in a given region may be examined by viewing the data through a Gaussian window, whose location and shape are chosen by the user. A Gaussian window is defined by giving each data point a weight based on a multivariate Gaussian function. The weighted sample mean and sample covariance matrix are then computed, using the weights attached to the data points. These quantities are used to compute an estimate of the shape of the density function in the window region. The local structure of the data is described by a method similar to the method of principal components. By taking many such local views of the data, we can form an idea of the structure of the data set. The method is applicable in any number of dimensions. The method can be used to find and describe simple structural features such as peaks, valleys, and saddle points in the density function, and also extended structures in higher dimensions. With some practice, we can apply our geometrical intuition to these structural features in any number of dimensions, so that we can think about and describe the structure of the data. Since the computations involved are relatively simple, the method can easily be implemented on a small computer.

  6. A reduction of the saddle vertical force triggers the sit-stand transition in cycling.

    PubMed

    Costes, Antony; Turpin, Nicolas A; Villeger, David; Moretto, Pierre; Watier, Bruno

    2015-09-18

    The purpose of the study was to establish the link between the saddle vertical force and its determinants in order to establish the strategies that could trigger the sit-stand transition. We hypothesized that the minimum saddle vertical force would be a critical parameter influencing the sit-stand transition during cycling. Twenty-five non-cyclists were asked to pedal at six different power outputs from 20% (1.6 ± 0.3 W kg(-1)) to 120% (9.6 ± 1.6 W kg(-1)) of their spontaneous sit-stand transition power obtained at 90 rpm. Five 6-component sensors (saddle tube, pedals and handlebars) and a full-body kinematic reconstruction were used to provide the saddle vertical force and other force components (trunk inertial force, hips and shoulders reaction forces, and trunk weight) linked to the saddle vertical force. Minimum saddle vertical force linearly decreased with power output by 87% from a static position on the bicycle (5.30 ± 0.50 N kg(-1)) to power output=120% of the sit-stand transition power (0.68 ± 0.49 N kg(-1)). This decrease was mainly explained by the increase in instantaneous pedal forces from 2.84 ± 0.58 N kg(-1) to 6.57 ± 1.02 N kg(-1) from 20% to 120% of the power output corresponding to the sit-stand transition, causing an increase in hip vertical forces from -0.17 N kg(-1) to 3.29 N kg(-1). The emergence of strategies aiming at counteracting the elevation of the trunk (handlebars and pedals pulling) coincided with the spontaneous sit-stand transition power. The present data suggest that the large decrease in minimum saddle vertical force observed at high pedal reaction forces might trigger the sit-stand transition in cycling. Copyright © 2015 Elsevier Ltd. All rights reserved.

  7. Probability evolution method for exit location distribution

    NASA Astrophysics Data System (ADS)

    Zhu, Jinjie; Chen, Zhen; Liu, Xianbin

    2018-03-01

    The exit problem in the framework of the large deviation theory has been a hot topic in the past few decades. The most probable escape path in the weak-noise limit has been clarified by the Freidlin-Wentzell action functional. However, noise in real physical systems cannot be arbitrarily small while noise with finite strength may induce nontrivial phenomena, such as noise-induced shift and noise-induced saddle-point avoidance. Traditional Monte Carlo simulation of noise-induced escape will take exponentially large time as noise approaches zero. The majority of the time is wasted on the uninteresting wandering around the attractors. In this paper, a new method is proposed to decrease the escape simulation time by an exponentially large factor by introducing a series of interfaces and by applying the reinjection on them. This method can be used to calculate the exit location distribution. It is verified by examining two classical examples and is compared with theoretical predictions. The results show that the method performs well for weak noise while may induce certain deviations for large noise. Finally, some possible ways to improve our method are discussed.

  8. Electrostatic ion thruster optics calculations

    NASA Technical Reports Server (NTRS)

    Whealton, John H.; Kirkman, David A.; Raridon, R. J.

    1992-01-01

    Calculations have been performed which encompass both a self-consistent ion source extraction plasma sheath and the primary ion optics including sheath and electrode-induced aberrations. Particular attention is given to the effects of beam space charge, accelerator geometry, and properties of the downstream plasma sheath on the position of the electrostatic potential saddle point near the extractor electrode. The electron blocking potential blocking is described as a function of electrode thickness and secondary plasma processes.

  9. On exponentially suppressed corrections to BMPV black hole entropy

    NASA Astrophysics Data System (ADS)

    Lal, Shailesh; Narayan, Prithvi

    2018-05-01

    The microscopic formula for the degeneracy of BMPV black hole microstates contains a series of exponentially suppressed corrections to the leading Bekenstein Hawking expression. We identify saddle points of the quantum entropy function for the BMPV black hole which are natural counterparts to these corrections and discuss the matching of leading and next-to-leading terms from the microscopic and macroscopic sides in a limit where the black hole charges are large.

  10. Shear-modulated electroosmotic flow on a patterned charged surface.

    PubMed

    Wei, Hsien-Hung

    2005-04-15

    The effect of imposing shear flow on a charge-modulated electroosmotic flow is theoretically investigated. The flow structures exhibit either saddle points or closed streamlines, depending on the relative strength of an imposed shear to the applied electric field. The formation of closed streamlines could be advantageous for trapping nondiffusive particles at desired locations. Different time periodic alternating flows and their corresponding particle trajectories are also examined to assess strategies for creating efficient mixing.

  11. An improved quasi-diabatic representation of the 1, 2, 3{sup 1}A coupled adiabatic potential energy surfaces of phenol in the full 33 internal coordinates

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhu, Xiaolei, E-mail: virtualzx@gmail.com; Malbon, Christopher L., E-mail: clmalbon@gmail.com; Yarkony, David R., E-mail: yarkony@jhu.edu

    2016-03-28

    In a recent work we constructed a quasi-diabatic representation, H{sup d}, of the 1, 2, 3{sup 1}A adiabatic states of phenol from high level multireference single and double excitation configuration interaction electronic structure data, energies, energy gradients, and derivative couplings. That H{sup d} accurately describes surface minima, saddle points, and also regions of strong nonadiabatic interactions, reproducing the locus of conical intersection seams and the coordinate dependence of the derivative couplings. The present work determines the accuracy of H{sup d} for describing phenol photodissociation. Additionally, we demonstrate that a modest energetic shift of two diabats yields a quantifiably more accuratemore » H{sup d} compared with experimental energetics. The analysis shows that in favorable circumstances it is possible to use single point energies obtained from the most reliable electronic structure methods available, including methods for which the energy gradients and derivative couplings are not available, to improve the quality of a global representation of several coupled potential energy surfaces. Our data suggest an alternative interpretation of kinetic energy release measurements near λ{sub phot} ∼ 248 nm.« less

  12. Graph-based analysis of kinetics on multidimensional potential-energy surfaces.

    PubMed

    Okushima, T; Niiyama, T; Ikeda, K S; Shimizu, Y

    2009-09-01

    The aim of this paper is twofold: one is to give a detailed description of an alternative graph-based analysis method, which we call saddle connectivity graph, for analyzing the global topography and the dynamical properties of many-dimensional potential-energy landscapes and the other is to give examples of applications of this method in the analysis of the kinetics of realistic systems. A Dijkstra-type shortest path algorithm is proposed to extract dynamically dominant transition pathways by kinetically defining transition costs. The applicability of this approach is first confirmed by an illustrative example of a low-dimensional random potential. We then show that a coarse-graining procedure tailored for saddle connectivity graphs can be used to obtain the kinetic properties of 13- and 38-atom Lennard-Jones clusters. The coarse-graining method not only reduces the complexity of the graphs, but also, with iterative use, reveals a self-similar hierarchical structure in these clusters. We also propose that the self-similarity is common to many-atom Lennard-Jones clusters.

  13. Stability analysis of an autocatalytic protein model

    NASA Astrophysics Data System (ADS)

    Lee, Julian

    2016-05-01

    A self-regulatory genetic circuit, where a protein acts as a positive regulator of its own production, is known to be the simplest biological network with a positive feedback loop. Although at least three components—DNA, RNA, and the protein—are required to form such a circuit, stability analysis of the fixed points of this self-regulatory circuit has been performed only after reducing the system to a two-component system, either by assuming a fast equilibration of the DNA component or by removing the RNA component. Here, stability of the fixed points of the three-component positive feedback loop is analyzed by obtaining eigenvalues of the full three-dimensional Hessian matrix. In addition to rigorously identifying the stable fixed points and saddle points, detailed information about the system can be obtained, such as the existence of complex eigenvalues near a fixed point.

  14. Singular perturbations and vanishing passage through a turning point

    NASA Astrophysics Data System (ADS)

    De Maesschalck, P.; Dumortier, F.

    The paper deals with planar slow-fast cycles containing a unique generic turning point. We address the question on how to study canard cycles when the slow dynamics can be singular at the turning point. We more precisely accept a generic saddle-node bifurcation to pass through the turning point. It reveals that in this case the slow divergence integral is no longer the good tool to use, but its derivative with respect to the layer variable still is. We provide general results as well as a number of applications. We show how to treat the open problems presented in Artés et al. (2009) [1] and Dumortier and Rousseau (2009) [13], dealing respectively with the graphics DI2a and DF1a from Dumortier et al. (1994) [14].

  15. Saddle-shaped mitral valve annuloplasty rings experience lower forces compared with flat rings.

    PubMed

    Jensen, Morten O; Jensen, Henrik; Smerup, Morten; Levine, Robert A; Yoganathan, Ajit P; Nygaard, Hans; Hasenkam, J Michael; Nielsen, Sten L

    2008-09-30

    New insight into the 3D dynamic behavior of the mitral valve has prompted a reevaluation of annuloplasty ring designs. Force balance analysis indicates correlation between annulus forces and stresses in leaflets and chords. Improving this stress distribution can intuitively enhance the durability of mitral valve repair. We tested the hypothesis that saddle-shaped annuloplasty rings have superior uniform systolic force distribution compared with a nonuniform force distribution in flat annuloplasty rings. Sixteen 80-kg pigs had a flat (n=8) or saddle-shaped (n=8) mitral annuloplasty ring implanted. Mitral annulus 3D dynamic geometry was obtained with sonomicrometry before ring insertion. Strain gauges mounted on dedicated D-shaped rigid flat and saddle-shaped annuloplasty rings provided the intraoperative force distribution perpendicular to the annular plane. Average systolic annular height to commissural width ratio before ring implantation was 14.0%+/-1.6%. After flat and saddle shaped ring implantation, the annulus was fixed in the diastolic (9.0%+/-1.0%) and systolic (14.3%+/-1.3%) configuration, respectively (P<0.01). Force accumulation was seen from the anterior (0.72N+/-0.14N) and commissural annular segments (average 1.38N+/-0.27N) of the flat rings. In these segments, the difference between the 2 types of rings was statistically significant (P<0.05). The saddle-shaped annuloplasty rings did not experience forces statistically significantly larger than zero in any annular segments. Saddle-shaped annuloplasty rings provide superior uniform annular force distribution compared to flat rings and appear to represent a configuration that minimizes out-of-plane forces that could potentially be transmitted to leaflets and chords. This may have important implications for annuloplasty ring selections.

  16. Resurgence and dynamics of O(N) and Grassmannian sigma models

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dunne, Gerald V.; Unsal, Mithat

    Here, we study the non-perturbative dynamics of the two dimensional O( N) and Grassmannian sigma models by using compactification with twisted boundary conditions on R× S 1, semi-classical techniques and resurgence. While the O(N) model has no instantons for N > 3, it has (non-instanton) saddles on R 2, which we call 2d-saddles. On R× S 1, the resurgent relation between perturbation theory and non-perturbative physics is encoded in new saddles, which are associated with the affine root system of the o( N) algebra. These events may be viewed as fractionalizations of the 2d-saddles. The first beta function coefficient, givenmore » by the dual Coxeter number, can then be intepreted as the sum of the multiplicities (dual Kac labels) of these fractionalized objects. Surprisingly, the new saddles in O( N) models in compactified space are in one-to-one correspondence with monopole-instanton saddles in SO( N) gauge theory on R 3×S 1. The Grassmannian sigma models Gr( N, M) have 2d instantons, which fractionalize into N kink-instantons. The small circle dynamics of both sigma models can be described as a dilute gas of the one-events and two-events, bions. One-events are the leading source of a variety of non-perturbative effects, and produce the strong scale of the 2d theory in the compactified theory. We show that in both types of sigma models the neutral bion emulates the role of IR-renormalons. We also study the topological theta angle dependence in both the O(3) model and Gr( N, M), and describe the multi-branched structure of the observables in terms of the theta-angle dependence of the saddle amplitudes, providing a microscopic argument for Haldane’s conjecture.« less

  17. Resurgence and dynamics of O(N) and Grassmannian sigma models

    DOE PAGES

    Dunne, Gerald V.; Unsal, Mithat

    2015-09-29

    Here, we study the non-perturbative dynamics of the two dimensional O( N) and Grassmannian sigma models by using compactification with twisted boundary conditions on R× S 1, semi-classical techniques and resurgence. While the O(N) model has no instantons for N > 3, it has (non-instanton) saddles on R 2, which we call 2d-saddles. On R× S 1, the resurgent relation between perturbation theory and non-perturbative physics is encoded in new saddles, which are associated with the affine root system of the o( N) algebra. These events may be viewed as fractionalizations of the 2d-saddles. The first beta function coefficient, givenmore » by the dual Coxeter number, can then be intepreted as the sum of the multiplicities (dual Kac labels) of these fractionalized objects. Surprisingly, the new saddles in O( N) models in compactified space are in one-to-one correspondence with monopole-instanton saddles in SO( N) gauge theory on R 3×S 1. The Grassmannian sigma models Gr( N, M) have 2d instantons, which fractionalize into N kink-instantons. The small circle dynamics of both sigma models can be described as a dilute gas of the one-events and two-events, bions. One-events are the leading source of a variety of non-perturbative effects, and produce the strong scale of the 2d theory in the compactified theory. We show that in both types of sigma models the neutral bion emulates the role of IR-renormalons. We also study the topological theta angle dependence in both the O(3) model and Gr( N, M), and describe the multi-branched structure of the observables in terms of the theta-angle dependence of the saddle amplitudes, providing a microscopic argument for Haldane’s conjecture.« less

  18. Cauda equina syndrome versus saddle embolism.

    PubMed

    Shaw, A; Anwar, H; Targett, J; Lafferty, K

    2008-09-01

    We discuss a case of saddle embolism with a clinical presentation similar to cauda equina syndrome in a 79-year-old woman with a history of ischaemic heart disease. Saddle embolus is very rare but one of an array of visceral causes for back and leg pain. This case highlights diagnostic difficulties, particularly in patients with multiple disorders. A high index of suspicion for vascular conditions must be exercised in cases of arterial dysfunction presenting with back pain.

  19. Regular and singular pulse and front solutions and possible isochronous behavior in the short-pulse equation: Phase-plane, multi-infinite series and variational approaches

    NASA Astrophysics Data System (ADS)

    Gambino, G.; Tanriver, U.; Guha, P.; Choudhury, A. Ghose; Choudhury, S. Roy

    2015-02-01

    In this paper we employ three recent analytical approaches to investigate the possible classes of traveling wave solutions of some members of a family of so-called short-pulse equations (SPE). A recent, novel application of phase-plane analysis is first employed to show the existence of breaking kink wave solutions in certain parameter regimes. Secondly, smooth traveling waves are derived using a recent technique to derive convergent multi-infinite series solutions for the homoclinic (heteroclinic) orbits of the traveling-wave equations for the SPE equation, as well as for its generalized version with arbitrary coefficients. These correspond to pulse (kink or shock) solutions respectively of the original PDEs. We perform many numerical tests in different parameter regime to pinpoint real saddle equilibrium points of the corresponding traveling-wave equations, as well as ensure simultaneous convergence and continuity of the multi-infinite series solutions for the homoclinic/heteroclinic orbits anchored by these saddle points. Unlike the majority of unaccelerated convergent series, high accuracy is attained with relatively few terms. And finally, variational methods are employed to generate families of both regular and embedded solitary wave solutions for the SPE PDE. The technique for obtaining the embedded solitons incorporates several recent generalizations of the usual variational technique and it is thus topical in itself. One unusual feature of the solitary waves derived here is that we are able to obtain them in analytical form (within the assumed ansatz for the trial functions). Thus, a direct error analysis is performed, showing the accuracy of the resulting solitary waves. Given the importance of solitary wave solutions in wave dynamics and information propagation in nonlinear PDEs, as well as the fact that not much is known about solutions of the family of generalized SPE equations considered here, the results obtained are both new and timely.

  20. A novel grid multiwing chaotic system with only non-hyperbolic equilibria

    NASA Astrophysics Data System (ADS)

    Zhang, Sen; Zeng, Yicheng; Li, Zhijun; Wang, Mengjiao; Xiong, Le

    2018-05-01

    The structure of the chaotic attractor of a system is mainly determined by the nonlinear functions in system equations. By using a new saw-tooth wave function and a new stair function, a novel complex grid multiwing chaotic system which belongs to non-Shil'nikov chaotic system with non-hyperbolic equilibrium points is proposed in this paper. It is particularly interesting that the complex grid multiwing attractors are generated by increasing the number of non-hyperbolic equilibrium points, which are different from the traditional methods of realising multiwing attractors by adding the index-2 saddle-focus equilibrium points in double-wing chaotic systems. The basic dynamical properties of the new system, such as dissipativity, phase portraits, the stability of the equilibria, the time-domain waveform, power spectrum, bifurcation diagram, Lyapunov exponents, and so on, are investigated by theoretical analysis and numerical simulations. Furthermore, the corresponding electronic circuit is designed and simulated on the Multisim platform. The Multisim simulation results and the hardware experimental results are in good agreement with the numerical simulations of the same system on Matlab platform, which verify the feasibility of this new grid multiwing chaotic system.

  1. On the sighting of unicorns: A variational approach to computing invariant sets in dynamical systems

    NASA Astrophysics Data System (ADS)

    Junge, Oliver; Kevrekidis, Ioannis G.

    2017-06-01

    We propose to compute approximations to invariant sets in dynamical systems by minimizing an appropriate distance between a suitably selected finite set of points and its image under the dynamics. We demonstrate, through computational experiments, that this approach can successfully converge to approximations of (maximal) invariant sets of arbitrary topology, dimension, and stability, such as, e.g., saddle type invariant sets with complicated dynamics. We further propose to extend this approach by adding a Lennard-Jones type potential term to the objective function, which yields more evenly distributed approximating finite point sets, and illustrate the procedure through corresponding numerical experiments.

  2. On the sighting of unicorns: A variational approach to computing invariant sets in dynamical systems.

    PubMed

    Junge, Oliver; Kevrekidis, Ioannis G

    2017-06-01

    We propose to compute approximations to invariant sets in dynamical systems by minimizing an appropriate distance between a suitably selected finite set of points and its image under the dynamics. We demonstrate, through computational experiments, that this approach can successfully converge to approximations of (maximal) invariant sets of arbitrary topology, dimension, and stability, such as, e.g., saddle type invariant sets with complicated dynamics. We further propose to extend this approach by adding a Lennard-Jones type potential term to the objective function, which yields more evenly distributed approximating finite point sets, and illustrate the procedure through corresponding numerical experiments.

  3. Flood-inundation maps for the Saddle River from Upper Saddle River Borough to Saddle River Borough, New Jersey, 2013

    USGS Publications Warehouse

    Watson, Kara M.; Hoppe, Heidi L.

    2013-01-01

    Digital flood-inundation maps for a 4.1-mile reach of the Saddle River from 0.6 miles downstream from the New Jersey-New York State boundary in Upper Saddle River Borough to 0.2 miles downstream from the East Allendale Road bridge in Saddle River Borough, New Jersey, were created by the U.S. Geological Survey (USGS) in cooperation with the New Jersey Department of Environmental Protection (NJDEP). The inundation maps, which can be accessed through the USGS Flood Inundation Mapping Science Web site at http://water.usgs.gov/osw/flood_inundation/, depict estimates of the areal extent and depth of flooding corresponding to select water levels (stages) at the USGS streamgage 01390450, Saddle River at Upper Saddle River, New Jersey. Current conditions for estimating near real-time areas of inundation using USGS streamgage information may be obtained on the Internet at http://waterdata.usgs.gov/nwis/uv?site_no=01390450. The National Weather Service (NWS) forecasts flood hydrographs at many places that are often collocated with USGS streamgages. NWS-forecasted peak-stage information may be used in conjunction with the maps developed in this study to show predicted areas of flood inundation. In this study, flood profiles were computed for the stream reach by means of a one-dimensional step-backwater model. The model was calibrated by using the most current stage-discharge relations (in effect March 2013) at USGS streamgage 01390450, Saddle River at Upper Saddle River, New Jersey, and documented high-water marks from recent floods. The hydraulic model was then used to determine eight water-surface profiles for flood stages at 0.5-foot (ft) intervals referenced to the streamgage datum, North American Vertical Datum of 1988 (NAVD 88), and ranging from bankfull, 0.5 ft below NWS Action Stage, to the upper extent of the stage-discharge rating which is approximately 1 ft higher than the highest recorded water level at the streamgage. Action Stage is the stage which when reached by a rising stream the NWS or a partner needs to take some type of mitigation action in preparation for possible significant hydrologic activity. The simulated water-surface profiles were then combined with a geographic information system 3-meter (9.84 ft) digital elevation model (derived from Light Detection and Ranging (LiDAR) data) in order to delineate the area flooded at each water level. The availability of these maps along with real-time streamflow data and information regarding current stage from USGS streamgages and forecasted stream stages from the NWS provide emergency management personnel and residents with information that is critical for flood response activities, such as evacuations and road closures, as well as for post-flood recovery efforts.

  4. From Sommerfeld and Brillouin forerunners to optical precursors

    NASA Astrophysics Data System (ADS)

    Macke, Bruno; Ségard, Bernard

    2013-04-01

    The Sommerfeld and Brillouin forerunners generated in a single-resonance absorbing medium by an incident step-modulated pulse are theoretically considered in the double limit where the susceptibility of the medium is weak and the resonance is narrow. Combining direct Laplace-Fourier integration and calculations by the saddle-point method, we establish an explicit analytical expression of the transmitted field valid at any time, even when the two forerunners significantly overlap. We examine how their complete overlapping, occurring for shorter propagation distances, originates the formation of the unique transient currently named resonant precursor or dynamical beat. We obtain an expression of this transient identical to that usually derived within the slowly varying envelope approximation in spite of the initial discontinuity of the incident field envelope. The dynamical beats and 0π pulses generated by ultrashort incident pulses are also briefly examined.

  5. Optimal weight based on energy imbalance and utility maximization

    NASA Astrophysics Data System (ADS)

    Sun, Ruoyan

    2016-01-01

    This paper investigates the optimal weight for both male and female using energy imbalance and utility maximization. Based on the difference of energy intake and expenditure, we develop a state equation that reveals the weight gain from this energy gap. We ​construct an objective function considering food consumption, eating habits and survival rate to measure utility. Through applying mathematical tools from optimal control methods and qualitative theory of differential equations, we obtain some results. For both male and female, the optimal weight is larger than the physiologically optimal weight calculated by the Body Mass Index (BMI). We also study the corresponding trajectories to steady state weight respectively. Depending on the value of a few parameters, the steady state can either be a saddle point with a monotonic trajectory or a focus with dampened oscillations.

  6. Shear-Modulated Electroosmotic Flow on a Patterned Charged Surface

    NASA Astrophysics Data System (ADS)

    Wei, Hsien-Hung

    2004-11-01

    The effect of imposing shear flow on a charge-modulated electroosmotic flow is theoretically investigated. The flow pattern can contain saddle points or closed streamlines, depending on the relative strength of an imposed shear to the applied electrical field. The formation of closed streamlines could be advantageous for trapping non-diffusive particles in desired locations. Different time periodic alternating flows and their corresponding particle trajectories are also examined for assessing strategies for creating efficient mixing.

  7. Large-N and Bethe Ansatz

    NASA Astrophysics Data System (ADS)

    Jurčo, Branislav

    We describe an integrable model, related to the Gaudin magnet, and its relation to the matrix model of Brézin, Itzykson, Parisi and Zuber. Relation is based on Bethe ansatz for the integrable model and its interpretation using orthogonal polynomials and saddle point approximation. Large-N limit of the matrix model corresponds to the thermodynamic limit of the integrable system. In this limit (functional) Bethe ansatz is the same as the generating function for correlators of the matrix models.

  8. Mid-Frequency Reverberation Measurements with Full Companion Environmental Support

    DTIC Science & Technology

    2014-12-30

    it reaches a caustic . Beyond the caustic , it is only a saddle point [12]; there are distortions of the ray that give shorter travel times. Each of the...rays TBT, TB, and BT has at least one caustic . Thus, the argument must be modified. The following modified argument also uses Fermat’s prin- ciple...travel time decreased by about 1 ms. The presence of caustics invalidates a straightforward Fermat’s principle in- terpretation with a minimum travel

  9. High-field superconductivity in the Nb-Ti-Zr ternary system

    NASA Astrophysics Data System (ADS)

    Ralls, K. M.; Rose, R. M.; Wulff, J.

    1980-06-01

    Resistive critical current densities, critical fields, and normal-state electrical resistivities were obtained at 4.2 °K for 55 alloys in the Nb-Ti-Zr ternary alloy system, excepting Ti-Zr binary compositions. The resistive critical field as a function of ternary composition has a saddle point between the Nb-Ti and Nb-Zr binaries, so that ternary alloying in this system is not expected to result in higher critical fields than the binary alloys.

  10. Non-smooth saddle-node bifurcations III: Strange attractors in continuous time

    NASA Astrophysics Data System (ADS)

    Fuhrmann, G.

    2016-08-01

    Non-smooth saddle-node bifurcations give rise to minimal sets of interesting geometry built of so-called strange non-chaotic attractors. We show that certain families of quasiperiodically driven logistic differential equations undergo a non-smooth bifurcation. By a previous result on the occurrence of non-smooth bifurcations in forced discrete time dynamical systems, this yields that within the class of families of quasiperiodically driven differential equations, non-smooth saddle-node bifurcations occur in a set with non-empty C2-interior.

  11. Explaining pathological changes in axonal excitability through dynamical analysis of conductance-based models

    NASA Astrophysics Data System (ADS)

    Coggan, Jay S.; Ocker, Gabriel K.; Sejnowski, Terrence J.; Prescott, Steven A.

    2011-10-01

    Neurons rely on action potentials, or spikes, to relay information. Pathological changes in spike generation likely contribute to certain enigmatic features of neurological disease, like paroxysmal attacks of pain and muscle spasm. Paroxysmal symptoms are characterized by abrupt onset and short duration, and are associated with abnormal spiking although the exact pathophysiology remains unclear. To help decipher the biophysical basis for 'paroxysmal' spiking, we replicated afterdischarge (i.e. continued spiking after a brief stimulus) in a minimal conductance-based axon model. We then applied nonlinear dynamical analysis to explain the dynamical basis for initiation and termination of afterdischarge. A perturbation could abruptly switch the system between two (quasi-)stable attractor states: rest and repetitive spiking. This bistability was a consequence of slow positive feedback mediated by persistent inward current. Initiation of afterdischarge was explained by activation of the persistent inward current forcing the system to cross a saddle point that separates the basins of attraction associated with each attractor. Termination of afterdischarge was explained by the attractor associated with repetitive spiking being destroyed. This occurred when ultra-slow negative feedback, such as intracellular sodium accumulation, caused the saddle point and stable limit cycle to collide; in that regard, the active attractor is not truly stable when the slowest dynamics are taken into account. The model also explains other features of paroxysmal symptoms, including temporal summation and refractoriness.

  12. Comprehensive Evaluation of Fast-Response, Reynolds-Averaged Navier–Stokes, and Large-Eddy Simulation Methods Against High-Spatial-Resolution Wind-Tunnel Data in Step-Down Street Canyons

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hayati, Arash Nemati; Stoll, Rob; Kim, J. J.

    Three computational fluid dynamics (CFD) methods with different levels of flow-physics modelling are comprehensively evaluated against high-spatial-resolution wind-tunnel velocity data from step-down street canyons (i.e., a short building downwind of a tall building). The first method is a semi-empirical fast-response approach using the Quick Urban Industrial Complex (QUIC-URB) model. The second method solves the Reynolds-averaged Navier–Stokes (RANS) equations, and the third one utilizes a fully-coupled fluid-structure interaction large-eddy simulation (LES) model with a grid-turbulence inflow generator. Unlike typical point-by-point evaluation comparisons, here the entire two-dimensional wind-tunnel dataset is used to evaluate the dynamics of dominant flow topological features in themore » street canyon. Each CFD method is scrutinized for several geometric configurations by varying the downwind-to-upwind building-height ratio (H d/H u) and street canyon-width to building-width aspect ratio (S / W) for inflow winds perpendicular to the upwind building front face. Disparities between the numerical results and experimental data are quantified in terms of their ability to capture flow topological features for different geometric configurations. Ultimately, all three methods qualitatively predict the primary flow topological features, including a saddle point and a primary vortex. But, the secondary flow topological features, namely an in-canyon separation point and secondary vortices, are only well represented by the LES method despite its failure for taller downwind building cases. Misrepresentation of flow-regime transitions, exaggeration of the coherence of recirculation zones and wake fields, and overestimation of downwards vertical velocity into the canyon are the main defects in QUIC-URB, RANS and LES results, respectively. All three methods underestimate the updrafts and, surprisingly, QUIC-URB outperforms RANS for the streamwise velocity component, while RANS is superior to QUIC-URB for the vertical velocity component in the street canyon.« less

  13. Comprehensive Evaluation of Fast-Response, Reynolds-Averaged Navier–Stokes, and Large-Eddy Simulation Methods Against High-Spatial-Resolution Wind-Tunnel Data in Step-Down Street Canyons

    DOE PAGES

    Hayati, Arash Nemati; Stoll, Rob; Kim, J. J.; ...

    2017-05-18

    Three computational fluid dynamics (CFD) methods with different levels of flow-physics modelling are comprehensively evaluated against high-spatial-resolution wind-tunnel velocity data from step-down street canyons (i.e., a short building downwind of a tall building). The first method is a semi-empirical fast-response approach using the Quick Urban Industrial Complex (QUIC-URB) model. The second method solves the Reynolds-averaged Navier–Stokes (RANS) equations, and the third one utilizes a fully-coupled fluid-structure interaction large-eddy simulation (LES) model with a grid-turbulence inflow generator. Unlike typical point-by-point evaluation comparisons, here the entire two-dimensional wind-tunnel dataset is used to evaluate the dynamics of dominant flow topological features in themore » street canyon. Each CFD method is scrutinized for several geometric configurations by varying the downwind-to-upwind building-height ratio (H d/H u) and street canyon-width to building-width aspect ratio (S / W) for inflow winds perpendicular to the upwind building front face. Disparities between the numerical results and experimental data are quantified in terms of their ability to capture flow topological features for different geometric configurations. Ultimately, all three methods qualitatively predict the primary flow topological features, including a saddle point and a primary vortex. But, the secondary flow topological features, namely an in-canyon separation point and secondary vortices, are only well represented by the LES method despite its failure for taller downwind building cases. Misrepresentation of flow-regime transitions, exaggeration of the coherence of recirculation zones and wake fields, and overestimation of downwards vertical velocity into the canyon are the main defects in QUIC-URB, RANS and LES results, respectively. All three methods underestimate the updrafts and, surprisingly, QUIC-URB outperforms RANS for the streamwise velocity component, while RANS is superior to QUIC-URB for the vertical velocity component in the street canyon.« less

  14. Comprehensive Evaluation of Fast-Response, Reynolds-Averaged Navier-Stokes, and Large-Eddy Simulation Methods Against High-Spatial-Resolution Wind-Tunnel Data in Step-Down Street Canyons

    NASA Astrophysics Data System (ADS)

    Hayati, Arash Nemati; Stoll, Rob; Kim, J. J.; Harman, Todd; Nelson, Matthew A.; Brown, Michael J.; Pardyjak, Eric R.

    2017-08-01

    Three computational fluid dynamics (CFD) methods with different levels of flow-physics modelling are comprehensively evaluated against high-spatial-resolution wind-tunnel velocity data from step-down street canyons (i.e., a short building downwind of a tall building). The first method is a semi-empirical fast-response approach using the Quick Urban Industrial Complex (QUIC-URB) model. The second method solves the Reynolds-averaged Navier-Stokes (RANS) equations, and the third one utilizes a fully-coupled fluid-structure interaction large-eddy simulation (LES) model with a grid-turbulence inflow generator. Unlike typical point-by-point evaluation comparisons, here the entire two-dimensional wind-tunnel dataset is used to evaluate the dynamics of dominant flow topological features in the street canyon. Each CFD method is scrutinized for several geometric configurations by varying the downwind-to-upwind building-height ratio (H_d/H_u) and street canyon-width to building-width aspect ratio ( S / W) for inflow winds perpendicular to the upwind building front face. Disparities between the numerical results and experimental data are quantified in terms of their ability to capture flow topological features for different geometric configurations. Overall, all three methods qualitatively predict the primary flow topological features, including a saddle point and a primary vortex. However, the secondary flow topological features, namely an in-canyon separation point and secondary vortices, are only well represented by the LES method despite its failure for taller downwind building cases. Misrepresentation of flow-regime transitions, exaggeration of the coherence of recirculation zones and wake fields, and overestimation of downwards vertical velocity into the canyon are the main defects in QUIC-URB, RANS and LES results, respectively. All three methods underestimate the updrafts and, surprisingly, QUIC-URB outperforms RANS for the streamwise velocity component, while RANS is superior to QUIC-URB for the vertical velocity component in the street canyon.

  15. 1. Historic American Buildings Survey R. Merritt Lacey, Photographer April ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    1. Historic American Buildings Survey R. Merritt Lacey, Photographer April 8, 1936 EXTERIOR - SOUTH AND EAST ELEVATIONS - Abram Ackerman House, 199 East Saddle River Road, Saddle River, Bergen County, NJ

  16. 3. Historic American Buildings Survey R. Merritt Lacey, Photographer April ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    3. Historic American Buildings Survey R. Merritt Lacey, Photographer April 9, 1936 INTERIOR - LIVING ROOM MANTEL WALL - Abram Ackerman House, 199 East Saddle River Road, Saddle River, Bergen County, NJ

  17. 4. Historic American Buildings Survey R. Merritt Lacey, Photographer April ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    4. Historic American Buildings Survey R. Merritt Lacey, Photographer April 9, 1936 INTERIOR - DINING ROOM MANTEL WALL - Abram Ackerman House, 199 East Saddle River Road, Saddle River, Bergen County, NJ

  18. Modelling of lateral fold growth and fold linkage: Applications to fold-and-thrust belt tectonics

    NASA Astrophysics Data System (ADS)

    Grasemann, Bernhard; Schmalholz, Stefan

    2013-04-01

    We use a finite element model to investigate the three-dimensional fold growth and interference of two initially isolated fold segments. The most critical parameter, which controls the fold linkage mode, is the phase difference between the laterally growing fold hinge lines: 1) "Linear-linkage" yields a sub-cylindrical fold with a saddle at the location where the two initial folds linked. 2) "Oblique-linkage" produces a curved fold resembling a Type II refold structure. 3) "Oblique-no-linkage" results in two curved folds with fold axes plunging in opposite directions. 4) "Linear-no-linkage" yields a fold train of two separate sub-cylindrical folds with fold axes plunging in opposite directions. The transition from linkage to no-linkage occurs when the fold separation between the initially isolated folds is slightly larger than one half of the low-amplitude fold wavelength. The model results compare well with previously published plasticine analogue models and can be directly applied to the investigation of fold growth history in fold-and-thust belts. An excellent natural example of lateral fold linkage is described from the Zagros fold-and-thrust belt in the Kurdistan Region of Iraq. The fold growth in this region is not controlled by major thrust faults but the shortening of the Paleozoic to Cenozoic passive margin sediments of the Arabian plate occurred mainly by detachment folding. The sub-cylindrical anticlines with hinge-parallel lengths of more than 50 km have not developed from single sub-cylindrical embryonic folds but they have merged from different fold segments that joined laterally during fold amplification and lateral fold growth. Linkage points are marked by geomorphological saddle points which are structurally the lowermost points of antiforms and points of principal curvatures with opposite sign. Linkage points can significantly influence the migration of mineral-rich fluids and hydrocarbons and are therefore of great economic importance.

  19. Improved field free line magnetic particle imaging using saddle coils.

    PubMed

    Erbe, Marlitt; Sattel, Timo F; Buzug, Thorsten M

    2013-12-01

    Magnetic particle imaging (MPI) is a novel tracer-based imaging method detecting the distribution of superparamagnetic iron oxide (SPIO) nanoparticles in vivo in three dimensions and in real time. Conventionally, MPI uses the signal emitted by SPIO tracer material located at a field free point (FFP). To increase the sensitivity of MPI, however, an alternative encoding scheme collecting the particle signal along a field free line (FFL) was proposed. To provide the magnetic fields needed for line imaging in MPI, a very efficient scanner setup regarding electrical power consumption is needed. At the same time, the scanner needs to provide a high magnetic field homogeneity along the FFL as well as parallel to its alignment to prevent the appearance of artifacts, using efficient radon-based reconstruction methods arising for a line encoding scheme. This work presents a dynamic FFL scanner setup for MPI that outperforms all previously presented setups in electrical power consumption as well as magnetic field quality.

  20. Reversal time of jump-noise magnetization dynamics in nanomagnets via Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Parthasarathy, Arun; Rakheja, Shaloo

    2018-06-01

    The jump-noise is a nonhomogeneous Poisson process which models thermal effects in magnetization dynamics, with special applications in low temperature escape rate phenomena. In this work, we develop improved numerical methods for Monte Carlo simulation of the jump-noise dynamics and validate the method by comparing the stationary distribution obtained empirically against the Boltzmann distribution. In accordance with the Néel-Brown theory, the jump-noise dynamics display an exponential relaxation toward equilibrium with a characteristic reversal time, which we extract for nanomagnets with uniaxial and cubic anisotropy. We relate the jump-noise dynamics to the equivalent Landau-Lifshitz dynamics up to second order correction for a general energy landscape and obtain the analogous Néel-Brown theory's solution of the reversal time. We find that the reversal time of jump-noise dynamics is characterized by Néel-Brown theory's solution at the energy saddle point for small noise. For large noise, the magnetization reversal due to jump-noise dynamics phenomenologically represents macroscopic tunneling of magnetization.

  1. Nudged-elastic band method with two climbing images: Finding transition states in complex energy landscapes

    DOE PAGES

    Zarkevich, Nikolai A.; Johnson, Duane D.

    2015-01-09

    The nudged-elastic band (NEB) method is modified with concomitant two climbing images (C2-NEB) to find a transition state (TS) in complex energy landscapes, such as those with a serpentine minimal energy path (MEP). If a single climbing image (C1-NEB) successfully finds the TS, then C2-NEB finds it too. Improved stability of C2-NEB makes it suitable for more complex cases, where C1-NEB misses the TS because the MEP and NEB directions near the saddle point are different. Generally, C2-NEB not only finds the TS, but guarantees, by construction, that the climbing images approach it from the opposite sides along the MEP.more » In addition, C2-NEB provides an accuracy estimate from the three images: the highest-energy one and its climbing neighbors. C2-NEB is suitable for fixed-cell NEB and the generalized solid-state NEB.« less

  2. Mimetic finite difference method

    NASA Astrophysics Data System (ADS)

    Lipnikov, Konstantin; Manzini, Gianmarco; Shashkov, Mikhail

    2014-01-01

    The mimetic finite difference (MFD) method mimics fundamental properties of mathematical and physical systems including conservation laws, symmetry and positivity of solutions, duality and self-adjointness of differential operators, and exact mathematical identities of the vector and tensor calculus. This article is the first comprehensive review of the 50-year long history of the mimetic methodology and describes in a systematic way the major mimetic ideas and their relevance to academic and real-life problems. The supporting applications include diffusion, electromagnetics, fluid flow, and Lagrangian hydrodynamics problems. The article provides enough details to build various discrete operators on unstructured polygonal and polyhedral meshes and summarizes the major convergence results for the mimetic approximations. Most of these theoretical results, which are presented here as lemmas, propositions and theorems, are either original or an extension of existing results to a more general formulation using polyhedral meshes. Finally, flexibility and extensibility of the mimetic methodology are shown by deriving higher-order approximations, enforcing discrete maximum principles for diffusion problems, and ensuring the numerical stability for saddle-point systems.

  3. From conformal blocks to path integrals in the Vaidya geometry

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Anous, Tarek; Hartman, Thomas; Rovai, Antonin

    Correlators in conformal field theory are naturally organized as a sum over conformal blocks. In holographic theories, this sum must reorganize into a path integral over bulk fields and geometries. We explore how these two sums are related in the case of a point particle moving in the background of a 3d collapsing black hole. The conformal block expansion is recast as a sum over paths of the first-quantized particle moving in the bulk geometry. Off-shell worldlines of the particle correspond to subdominant contributions in the Euclidean conformal block expansion, but these same operators must be included in order tomore » correctly reproduce complex saddles in the Lorentzian theory. During thermalization, a complex saddle dominates under certain circumstances; in this case, the CFT correlator is not given by the Virasoro identity block in any channel, but can be recovered by summing heavy operators. This effectively converts the conformal block expansion in CFT from a sum over intermediate states to a sum over channels that mimics the bulk path integral.« less

  4. From conformal blocks to path integrals in the Vaidya geometry

    DOE PAGES

    Anous, Tarek; Hartman, Thomas; Rovai, Antonin; ...

    2017-09-04

    Correlators in conformal field theory are naturally organized as a sum over conformal blocks. In holographic theories, this sum must reorganize into a path integral over bulk fields and geometries. We explore how these two sums are related in the case of a point particle moving in the background of a 3d collapsing black hole. The conformal block expansion is recast as a sum over paths of the first-quantized particle moving in the bulk geometry. Off-shell worldlines of the particle correspond to subdominant contributions in the Euclidean conformal block expansion, but these same operators must be included in order tomore » correctly reproduce complex saddles in the Lorentzian theory. During thermalization, a complex saddle dominates under certain circumstances; in this case, the CFT correlator is not given by the Virasoro identity block in any channel, but can be recovered by summing heavy operators. This effectively converts the conformal block expansion in CFT from a sum over intermediate states to a sum over channels that mimics the bulk path integral.« less

  5. The shape of a long leaf

    PubMed Central

    Liang, Haiyi; Mahadevan, L.

    2009-01-01

    Long leaves in terrestrial plants and their submarine counterparts, algal blades, have a typical, saddle-like midsurface and rippled edges. To understand the origin of these morphologies, we dissect leaves and differentially stretch foam ribbons to show that these shapes arise from a simple cause, the elastic relaxation via bending that follows either differential growth (in leaves) or differential stretching past the yield point (in ribbons). We quantify these different modalities in terms of a mathematical model for the shape of an initially flat elastic sheet with lateral gradients in longitudinal growth. By using a combination of scaling concepts, stability analysis, and numerical simulations, we map out the shape space for these growing ribbons and find that as the relative growth strain is increased, a long flat lamina deforms to a saddle shape and/or develops undulations that may lead to strongly localized ripples as the growth strain is localized to the edge of the leaf. Our theory delineates the geometric and growth control parameters that determine the shape space of finite laminae and thus allows for a comparative study of elongated leaf morphology. PMID:19966215

  6. A DFT/HF study of the potential energy surface of protonated ethane C2H7+

    NASA Astrophysics Data System (ADS)

    Hrusak, Jan; Zabka, Jan; Dolejsek, Zdenek; Herman, Zdenek

    1997-11-01

    Structures and energies of several isomers of the C2H7+ cation have been calculated using the parametrized B3LYP HF/DFT method. The B3LYP/6-31G** geometries of the individual isomers are of at least the same quality as the MP2/6-31G** results. The zero-point-energy corrected relative stabilities of the individual C2H7+ isomers are in excellent agreement with the much more costly MP4SDTQ/6-31G** MO calculations. A structure with a linear C---H---C skeleton and a CC distance of about 2.5 A was found to be a higher order saddle point on the PES resulting from curve crossing between the reactant and product channels CH3+ + CH4; this finding is of importance in interpreting the experimental results on the hydride ion transfer between CH3+ and CH4. The calculations are also consistent with the earlier experimental results on the formation of the products C2H5+ + H2.

  7. The MCH2+ Systems: Do ScCH2+ and TiCH2+ Have C(sub s) or C(sub 2v) Symmetry and A Comparison of the B3LYP Method to Other Approaches

    NASA Technical Reports Server (NTRS)

    Ricca, Alessandra; Bauschlicher, Charles W., Jr.; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    ScCH2(+) and TiCH2(+) are found to have C(sub s) symmetry, while the remaining systems have the expected C(sub 2v) symmetry. The C(sub s) symmetry structure is favored for ScCH2(+) and TiCH2(+) because it allows donation from one of the CH bonds into an empty 3d orbital. This distortion stabilizes the systems by less than 2 kcal/mol at the B3LYP, CASSCF, and CCSD(T) levels of theory. The SCF and B3LYP approaches find the C2(sub v) structure to be a saddle point, while the CASSCF approach finds the C(sub 2v) structure to be a stationary point. For V-Cu there are no empty 3d orbitals of the correct symmetry, and therefore the distortion to C(sub s), is unfavorable. The B3LYP binding energies are in good agreement with experiment and our previous best estimates.

  8. Saddle-nose deformity repair with microplate-adapted costal cartilage.

    PubMed

    Eren, Fikret; Öksüz, Sinan; Melikoğlu, Cenk; Karagöz, Hüseyin; Ülkür, Ersin

    2014-08-01

    Nasal deformities affecting the bone and lower two-thirds of the nose due to the loss of septal height and tip support are defined as "saddle-nose" deformity. Reconstruction of a saddle-nose deformity essentially necessitates structural grafting. This article presents an alternative approach for correction of saddle-nose deformity using a microplate and costal cartilage. The results are compared with those of the previously applied costal cartilage repair methods. Between 2004 and 2013, 16 patients were treated with costal cartilage autografts. Of these 16 patients, 7 were treated with a microplate and costal cartilage autograft combination, 4 were treated with a costal cartilage autograft and Kirschner (K)-wire, and 5 were treated with onlay costal cartilage grafts. The mean follow-up periods were 16 months for group treated with microplate-adapted autologous costal cartilage, 12 months for the group treated with K-wire and autologous costal cartilage, and 16 months for the group treated with onlay costal cartilage. The patients treated with K-wire inserted cartilages and the patients treated onlay dorsal costal cartilages encountered complications such as extrusion of the wire and warping, respectively. The seven patients treated with microplate and dorsal onlay costal cartilage graft did not experience any infection, warping, or extrusion complication. The warping tendency of the costal cartilage autograft can be efficiently prevented without a prominent complication risk by using microplate-adapted costal cartilage grafts. This journal requires that authors assign a level of evidence to each article. For a full description of these Evidence-Based Medicine ratings, please refer to the Table of Contents or the online Instructions to Authors www.springer.com/00266 .

  9. The conformal hyperplet

    NASA Astrophysics Data System (ADS)

    Faux, Michael

    2017-05-01

    We introduce a finite off-shell hypermultiplet with no off-shell central charge. This requires 192+192 degrees of freedom, all but 8+8 of which are auxiliary or gauge. In the absence of supergravity, the model has a saddle-point vacuum instability implying ghost-like propagators. These are cured by realizing the model superconformally, such that the erstwhile ghosts are realized as compensators. Gauge fixing these links the physical hypermultiplets to supergravity. This evokes the prospect of realizing 𝒩 = 4 super-Yang-Mills theory off-shell.

  10. Resonant tunneling in nanocolumns improved by quantum collimation.

    PubMed

    Wensorra, Jakob; Indlekofer, Klaus Michael; Lepsa, Mihail Ion; Förster, Arno; Lüth, Hans

    2005-12-01

    We report on a quantum collimation effect based on surface depletion regions in AlAs/GaAs nanocolumns with an embedded resonant tunneling structure. The considered MBE-grown nanodevices have been fabricated by means of a top-down approach that employs a reproducible lithographic definition of the vertical nanocolumns. By analyzing the scaling properties of these nanodevices, we discuss how a collimation effect due to a saddle point in the confining potential can explain an improved device performance of the ultimately scaled structures at room temperature.

  11. Robust Consumption-Investment Problem on Infinite Horizon

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zawisza, Dariusz, E-mail: dariusz.zawisza@im.uj.edu.pl

    In our paper we consider an infinite horizon consumption-investment problem under a model misspecification in a general stochastic factor model. We formulate the problem as a stochastic game and finally characterize the saddle point and the value function of that game using an ODE of semilinear type, for which we provide a proof of an existence and uniqueness theorem for its solution. Such equation is interested on its own right, since it generalizes many other equations arising in various infinite horizon optimization problems.

  12. Suppression of superconductivity in disordered interacting wires.

    PubMed

    Pesin, D A; Andreev, A V

    2006-09-15

    We study superconductivity suppression due to thermal fluctuations in disordered wires using the replica nonlinear sigma-model (NLsigmaM). We show that in addition to the thermal phase slips there is another type of fluctuations that result in a finite resistivity. These fluctuations are described by saddle points in NLsigmaM and cannot be treated within the Ginzburg-Landau approach. The contribution of such fluctuations to the wire resistivity is evaluated with exponential accuracy. The magnetoresistance associated with this contribution is negative.

  13. THz-waves channeling in a monolithic saddle-coil for Dynamic Nuclear Polarization enhanced NMR

    NASA Astrophysics Data System (ADS)

    Macor, A.; de Rijk, E.; Annino, G.; Alberti, S.; Ansermet, J.-Ph.

    2011-10-01

    A saddle coil manufactured by electric discharge machining (EDM) from a solid piece of copper has recently been realized at EPFL for Dynamic Nuclear Polarization enhanced Nuclear Magnetic Resonance experiments (DNP-NMR) at 9.4 T. The corresponding electromagnetic behavior of radio-frequency (400 MHz) and THz (263 GHz) waves were studied by numerical simulation in various measurement configurations. Moreover, we present an experimental method by which the results of the THz-wave numerical modeling are validated. On the basis of the good agreement between numerical and experimental results, we conducted by numerical simulation a systematic analysis on the influence of the coil geometry and of the sample properties on the THz-wave field, which is crucial in view of the optimization of DNP-NMR in solids.

  14. Dynamics of Two Point Vortices in an External Compressible Shear Flow

    NASA Astrophysics Data System (ADS)

    Vetchanin, Evgeny V.; Mamaev, Ivan S.

    2017-12-01

    This paper is concerned with a system of equations that describes the motion of two point vortices in a flow possessing constant uniform vorticity and perturbed by an acoustic wave. The system is shown to have both regular and chaotic regimes of motion. In addition, simple and chaotic attractors are found in the system. Attention is given to bifurcations of fixed points of a Poincaré map which lead to the appearance of these regimes. It is shown that, in the case where the total vortex strength changes, the "reversible pitch-fork" bifurcation is a typical scenario of emergence of asymptotically stable fixed and periodic points. As a result of this bifurcation, a saddle point, a stable and an unstable point of the same period emerge from an elliptic point of some period. By constructing and analyzing charts of dynamical regimes and bifurcation diagrams we show that a cascade of period-doubling bifurcations is a typical scenario of transition to chaos in the system under consideration.

  15. Featured Partner: Saddle Creek Logistics Services

    EPA Pesticide Factsheets

    This EPA fact sheet spotlights Saddle Creek Logistics as a SmartWay partner committed to sustainability in reducing greenhouse gas emissions and air pollution caused by freight transportation, partly by growing its compressed natural gas (CNG) vehicles for

  16. On the critical forcing amplitude of forced nonlinear oscillators

    NASA Astrophysics Data System (ADS)

    Febbo, Mariano; Ji, Jinchen C.

    2013-12-01

    The steady-state response of forced single degree-of-freedom weakly nonlinear oscillators under primary resonance conditions can exhibit saddle-node bifurcations, jump and hysteresis phenomena, if the amplitude of the excitation exceeds a certain value. This critical value of excitation amplitude or critical forcing amplitude plays an important role in determining the occurrence of saddle-node bifurcations in the frequency-response curve. This work develops an alternative method to determine the critical forcing amplitude for single degree-of-freedom nonlinear oscillators. Based on Lagrange multipliers approach, the proposed method considers the calculation of the critical forcing amplitude as an optimization problem with constraints that are imposed by the existence of locations of vertical tangency. In comparison with the Gröbner basis method, the proposed approach is more straightforward and thus easy to apply for finding the critical forcing amplitude both analytically and numerically. Three examples are given to confirm the validity of the theoretical predictions. The first two present the analytical form for the critical forcing amplitude and the third one is an example of a numerically computed solution.

  17. Quantum transitions through cosmological singularities

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bramberger, Sebastian F.; Lehners, Jean-Luc; Hertog, Thomas

    2017-07-01

    In a quantum theory of cosmology spacetime behaves classically only in limited patches of the configuration space on which the wave function of the universe is defined. Quantum transitions can connect classical evolution in different patches. Working in the saddle point approximation and in minisuperspace we compute quantum transitions connecting inflationary histories across a de Sitter like throat or a singularity. This supplies probabilities for how an inflating universe, when evolved backwards, transitions and branches into an ensemble of histories on the opposite side of a quantum bounce. Generalising our analysis to scalar potentials with negative regions we identify saddlemore » points describing a quantum transition between a classically contracting, crunching ekpyrotic phase and an inflationary universe.« less

  18. Crossover from BCS to Bose superconductivity: A functional integral approach

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Randeria, M.; Sa de Melo, C.A.R.; Engelbrecht, J.R.

    1993-04-01

    We use a functional integral formulation to study the crossover from cooperative Cooper pairing to the formation and condensation of tightly bound pairs in a 3D continuum model of fermions with attractive interactions. The inadequacy of a saddle point approximation with increasing coupling is pointed out, and the importance of temporal (quantum) fluctuations for normal state properties at intermediate and strong coupling is emphasized. In addition to recovering the Nozieres-Schmitt-Pink interpolation scheme for T{sub c}, and the Leggett variational results for T = 0, we also present results for evolution of the time-dependent Ginzburg-Landau equation and collective mode spectrum asmore » a function of the coupling.« less

  19. Road guide to geological points of interest on the island of Hawaii

    NASA Technical Reports Server (NTRS)

    Stearns, H. T.; Macdonald, G. A.; Greeley, R.

    1974-01-01

    This road guide briefly describes the points of geologic interest along the main roads on Hawaii. It begins at Hilo and proceeds around the island in a clockwise direction on State Route 11 to Kailua, then returns to Hilo on State Route 19 to Hilo via Waimea, with side excursions on the other principal roads. Minimum excursion time is two days, allowing only very brief time for the various stops. The return to Hilo from Waimea can be made via Route 19 along the Hamakua Coast (wet, leeward side of island, displaying typical tropical erosion) or via Route 20 over the Humuula Saddle (high, relatively dry and cool; young volcanic features).

  20. Theoretical Studies about Adsorption on Silicon Surface

    NASA Astrophysics Data System (ADS)

    Huang, Yan; Chen, Xiaoshuang; Zhu, Xiao Yan; Duan, He; Zhou, Xiao Hao; Lu, Wei

    In this review paper, we address the important research topic of adsorption on the silicon surface. The deposition of single Si ad-species (adatom and ad-dimer) on the p(2×2) reconstructed Si(100) surface has been simulated by the empirical tight-binding method. Using the clean and defective Si surfaces as the deposition substrates, the deposition energies are mapped out around the clean surface, dimer vacancies, steps and kink structures. The binding sites, saddle points and several possible diffusion paths are obtained from the calculated energy. With further analysis of the deposition and diffusion behaviors, the influences of the surface defects can be found. Then, by adopting the first-principle calculations, the adsorptions of the II-VI group elements on the clean and As-passivated Si(211) substrates have been calculated as the example of adsorption on the high-miller-index Si surface.

  1. On a multigrid method for the coupled Stokes and porous media flow problem

    NASA Astrophysics Data System (ADS)

    Luo, P.; Rodrigo, C.; Gaspar, F. J.; Oosterlee, C. W.

    2017-07-01

    The multigrid solution of coupled porous media and Stokes flow problems is considered. The Darcy equation as the saturated porous medium model is coupled to the Stokes equations by means of appropriate interface conditions. We focus on an efficient multigrid solution technique for the coupled problem, which is discretized by finite volumes on staggered grids, giving rise to a saddle point linear system. Special treatment is required regarding the discretization at the interface. An Uzawa smoother is employed in multigrid, which is a decoupled procedure based on symmetric Gauss-Seidel smoothing for velocity components and a simple Richardson iteration for the pressure field. Since a relaxation parameter is part of a Richardson iteration, Local Fourier Analysis (LFA) is applied to determine the optimal parameters. Highly satisfactory multigrid convergence is reported, and, moreover, the algorithm performs well for small values of the hydraulic conductivity and fluid viscosity, that are relevant for applications.

  2. Effect of Boron Clusters on the Ignition Reaction of HNO3 and Dicynanamide-Based Ionic Liquids.

    PubMed

    Schmidt, Michael W; Gordon, Mark S

    2017-10-19

    Many ionic liquids containing the dicynamide anion (DCA - , formula N(CN) 2 - ) exhibit hypergolic ignition when exposed to the common oxidizer nitric acid. However, the ignition delay is often about 10 times longer than the desired 5 ms for rocket applications, so that improvements are desired. Experiments in the past decade have suggested both a mechanism for the early reaction steps and also that additives such as decaborane can reduce the ignition delay. The mechanisms for reactions of nitric acid with both DCA - and protonated DCAH are considered here, using accurate wave function methods. Complexation of DCA - or DCAH with borane clusters B 10 H 14 or B 9 H 14 - is found to modify these mechanisms slightly by changing the nature of some of the intermediate saddle points and by small reductions in the reaction barriers.

  3. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Makhov, Dmitry V.; Shalashilin, Dmitrii V.; Glover, William J.

    We present a new algorithm for ab initio quantum nonadiabatic molecular dynamics that combines the best features of ab initio Multiple Spawning (AIMS) and Multiconfigurational Ehrenfest (MCE) methods. In this new method, ab initio multiple cloning (AIMC), the individual trajectory basis functions (TBFs) follow Ehrenfest equations of motion (as in MCE). However, the basis set is expanded (as in AIMS) when these TBFs become sufficiently mixed, preventing prolonged evolution on an averaged potential energy surface. We refer to the expansion of the basis set as “cloning,” in analogy to the “spawning” procedure in AIMS. This synthesis of AIMS and MCEmore » allows us to leverage the benefits of mean-field evolution during periods of strong nonadiabatic coupling while simultaneously avoiding mean-field artifacts in Ehrenfest dynamics. We explore the use of time-displaced basis sets, “trains,” as a means of expanding the basis set for little cost. We also introduce a new bra-ket averaged Taylor expansion (BAT) to approximate the necessary potential energy and nonadiabatic coupling matrix elements. The BAT approximation avoids the necessity of computing electronic structure information at intermediate points between TBFs, as is usually done in saddle-point approximations used in AIMS. The efficiency of AIMC is demonstrated on the nonradiative decay of the first excited state of ethylene. The AIMC method has been implemented within the AIMS-MOLPRO package, which was extended to include Ehrenfest basis functions.« less

  4. Self-evolving atomistic kinetic Monte Carlo simulations of defects in materials

    DOE PAGES

    Xu, Haixuan; Beland, Laurent K.; Stoller, Roger E.; ...

    2015-01-29

    The recent development of on-the-fly atomistic kinetic Monte Carlo methods has led to an increased amount attention on the methods and their corresponding capabilities and applications. In this review, the framework and current status of Self-Evolving Atomistic Kinetic Monte Carlo (SEAKMC) are discussed. SEAKMC particularly focuses on defect interaction and evolution with atomistic details without assuming potential defect migration/interaction mechanisms and energies. The strength and limitation of using an active volume, the key concept introduced in SEAKMC, are discussed. Potential criteria for characterizing an active volume are discussed and the influence of active volume size on saddle point energies ismore » illustrated. A procedure starting with a small active volume followed by larger active volumes was found to possess higher efficiency. Applications of SEAKMC, ranging from point defect diffusion, to complex interstitial cluster evolution, to helium interaction with tungsten surfaces, are summarized. A comparison of SEAKMC with molecular dynamics and conventional object kinetic Monte Carlo is demonstrated. Overall, SEAKMC is found to be complimentary to conventional molecular dynamics, especially when the harmonic approximation of transition state theory is accurate. However it is capable of reaching longer time scales than molecular dynamics and it can be used to systematically increase the accuracy of other methods such as object kinetic Monte Carlo. Furthermore, the challenges and potential development directions are also outlined.« less

  5. Rotating Saddle Paul Trap.

    ERIC Educational Resources Information Center

    Rueckner, Wolfgang; And Others

    1995-01-01

    Describes a demonstration in which a ball is placed in an unstable position on a saddle shape. The ball becomes stable when it is rotated above some threshold angular velocity. The demonstration is a mechanical analog of confining a particle in a "Paul Trap". (DDR)

  6. Risk factors for saddle-related skin lesions on elephants used in the tourism industry in Thailand.

    PubMed

    Magda, Scarlett; Spohn, Olivia; Angkawanish, Taweepoke; Smith, Dale A; Pearl, David L

    2015-05-19

    Lesions related to working conditions and improper saddle design are a concern for a variety of working animals including elephants. The objectives of the present study were to determine the prevalence of cutaneous lesions in anatomic regions (i.e., neck, girth, back, tail) in contact with saddle-related equipment among elephants in Thailand working in the tourism industry, and to identify potential risk factors associated with these lesions. Data for this cross-sectional study were collected between May 2007 and July 2007 on 194 elephants from 18 tourism camps across Thailand. There was a high prevalence (64.4 %; 95 % CI 57.3 - 71.2) of active lesions, most often located on the back region. Using multilevel multivariable logistic regression modelling containing a random intercept for camp we identified the following risk factors: increasing elephant age, the use of rice sacks as padding material in contact with the skin, and the provision of a break for the elephants. Working hours had a quadratic relationship with the log odds of an active lesion where the probability of an active lesion initially increased with the number of working hours per day and then declined possibly reflecting a "healthy worker" bias where only animals without lesions continue to be able to work these longer hours. While we recognize that the cross-sectional nature of the study posed some inferential limitations, our results offer several potential intervention points for the prevention of these lesions. Specifically, we recommend the following until longitudinal studies can be conducted: increased monitoring of older elephants and the back region of all elephants, working less than 6 hours per day, and the avoidance of rice sacks as padding material in contact with skin.

  7. Quantification of topological changes of vorticity contours in two-dimensional Navier-Stokes flow.

    PubMed

    Ohkitani, Koji; Al Sulti, Fayeza

    2010-06-01

    A characterization of reconnection of vorticity contours is made by direct numerical simulations of the two-dimensional Navier-Stokes flow at a relatively low Reynolds number. We identify all the critical points of the vorticity field and classify them by solving an eigenvalue problem of its Hessian matrix on the basis of critical-point theory. The numbers of hyperbolic (saddles) and elliptic (minima and maxima) points are confirmed to satisfy Euler's index theorem numerically. Time evolution of these indices is studied for a simple initial condition. Generally speaking, we have found that the indices are found to decrease in number with time. This result is discussed in connection with related works on streamline topology, in particular, the relationship between stagnation points and the dissipation. Associated elementary procedures in physical space, the merging of vortices, are studied in detail for a number of snapshots. A similar analysis is also done using the stream function.

  8. A generalized force-modified potential energy surface (G-FMPES) for mechanochemical simulations

    DOE PAGES

    Subramanian, Gopinath; Mathew, Nithin; Leiding, Jeffery A.

    2015-10-05

    We describe the modifications that a spatially varying external load produces on a Born-Oppenheimer potential energy surface (PES) by calculating static quantities of interest. The effects of the external loads are exemplified using electronic structure calculations (at the HF/6-31G** level) of two different molecules: ethane and hexahydro-1,3,5-trinitro-s-triazine (RDX). The calculated transition states and The Hessian matrices of stationary points show that spatially varying external loads shift the stationary points and modify the curvature of the PES, thereby affecting the harmonic transition rates by altering both the energy barrier as well as the prefactor. The harmonic spectra of both molecules aremore » blue-shifted with increasing compressive “pressure.” Some stationary points on the RDX-PES disappear under application of the external load, indicating the merging of an energy minimum with a saddle point.« less

  9. Ideal Weyl points and helicoid surface states in artificial photonic crystal structures.

    PubMed

    Yang, Biao; Guo, Qinghua; Tremain, Ben; Liu, Rongjuan; Barr, Lauren E; Yan, Qinghui; Gao, Wenlong; Liu, Hongchao; Xiang, Yuanjiang; Chen, Jing; Fang, Chen; Hibbins, Alastair; Lu, Ling; Zhang, Shuang

    2018-03-02

    Weyl points are the crossings of linearly dispersing energy bands of three-dimensional crystals, providing the opportunity to explore a variety of intriguing phenomena such as topologically protected surface states and chiral anomalies. However, the lack of an ideal Weyl system in which the Weyl points all exist at the same energy and are separated from any other bands poses a serious limitation to the further development of Weyl physics and potential applications. By experimentally characterizing a microwave photonic crystal of saddle-shaped metallic coils, we observed ideal Weyl points that are related to each other through symmetry operations. Topological surface states exhibiting helicoidal structure have also been demonstrated. Our system provides a photonic platform for exploring ideal Weyl systems and developing possible topological devices. Copyright © 2018 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.

  10. A nonlinear model for myogenic regulation of blood flow to bone: equilibrium states and stability characteristics.

    PubMed

    Harrigan, T P

    1996-01-01

    A simple compartmental model for myogenic regulation of interstitial pressure in bone is developed, and the interaction between changes in interstitial pressure and changes in arterial and venous resistance is studied. The arterial resistance is modeled by a myogenic model that depends on transmural pressure, and the venous resistance is modeled by using a vascular waterfall. Two series capacitances model blood storage in the vascular system and interstitial fluid storage in the extravascular space. The static results mimic the observed effect that vasodilators work less well in bone than do vasoconstrictors. The static results also show that the model gives constant flow rates over a limited range of arterial pressure. The dynamic model shows unstable behavior at small values of bony capacitance and at high enough myogenic gain. At low myogenic gain, only a single equilibrium state is present, but a high enough myogenic gain, two new equilibrium states appear. At additional increases in gain, one of the two new states merges with and then separates from the original state, and the original state becomes a saddle point. The appearance of the new states and the transition of the original state to a saddle point do not depend on the bony capacitance, and these results are relevant to general fluid compartments. Numerical integration of the rate equations confirms the stability calculations and shows limit cycling behavior in several situations. The relevance of this model to circulation in bone and to other compartments is discussed.

  11. THz-waves channeling in a monolithic saddle-coil for Dynamic Nuclear Polarization enhanced NMR.

    PubMed

    Macor, A; de Rijk, E; Annino, G; Alberti, S; Ansermet, J-Ph

    2011-10-01

    A saddle coil manufactured by electric discharge machining (EDM) from a solid piece of copper has recently been realized at EPFL for Dynamic Nuclear Polarization enhanced Nuclear Magnetic Resonance experiments (DNP-NMR) at 9.4 T. The corresponding electromagnetic behavior of radio-frequency (400 MHz) and THz (263 GHz) waves were studied by numerical simulation in various measurement configurations. Moreover, we present an experimental method by which the results of the THz-wave numerical modeling are validated. On the basis of the good agreement between numerical and experimental results, we conducted by numerical simulation a systematic analysis on the influence of the coil geometry and of the sample properties on the THz-wave field, which is crucial in view of the optimization of DNP-NMR in solids. Copyright © 2011 Elsevier Inc. All rights reserved.

  12. Viscid-inviscid interaction associated with incompressible flow past wedges at high Reynolds number

    NASA Technical Reports Server (NTRS)

    Warpinski, N. R.; Chow, W. L.

    1977-01-01

    An analytical method is suggested for the study of the viscid inviscid interaction associated with incompressible flow past wedges with arbitrary angles. It is shown that the determination of the nearly constant pressure (base pressure) prevailing within the near wake is really the heart of the problem, and the pressure can only be established from these interactive considerations. The basic free streamline flow field is established through two discrete parameters which adequately describe the inviscid flow around the body and the wake. The viscous flow processes such as the boundary layer buildup, turbulent jet mixing, and recompression are individually analyzed and attached to the inviscid flow in the sense of the boundary layer concept. The interaction between the viscous and inviscid streams is properly displayed by the fact that the aforementioned discrete parameters needed for the inviscid flow are determined by the viscous flow condition at the point of reattachment. It is found that the reattachment point behaves as a saddle point singularity for the system of equations describing the recompressive viscous flow processes, and this behavior is exploited for the establishment of the overall flow field. Detailed results such as the base pressure, pressure distributions on the wedge, and the geometry of the wake are determined as functions of the wedge angle.

  13. Saddled Prominent

    Treesearch

    Peter A. Rush; Douglas C. Allen

    1987-01-01

    The saddled prominent, Heterocampa guttivitta (Walker), defoliates hardwoods in the Northeastern United States and Southeastern Canada. Outbreaks of this native insect have occurred in the United States and Canada at intervals of approximately 10 years since they were first recorded in the early 1900's. Populations, characterized by their instability, build...

  14. Dynamical importance of van der Waals saddle and excited potential surface in C(1D)+D2 complex-forming reaction

    PubMed Central

    Shen, Zhitao; Ma, Haitao; Zhang, Chunfang; Fu, Mingkai; Wu, Yanan; Bian, Wensheng; Cao, Jianwei

    2017-01-01

    Encouraged by recent advances in revealing significant effects of van der Waals wells on reaction dynamics, many people assume that van der Waals wells are inevitable in chemical reactions. Here we find that the weak long-range forces cause van der Waals saddles in the prototypical C(1D)+D2 complex-forming reaction that have very different dynamical effects from van der Waals wells at low collision energies. Accurate quantum dynamics calculations on our highly accurate ab initio potential energy surfaces with van der Waals saddles yield cross-sections in close agreement with crossed-beam experiments, whereas the same calculations on an earlier surface with van der Waals wells produce much smaller cross-sections at low energies. Further trajectory calculations reveal that the van der Waals saddle leads to a torsion then sideways insertion reaction mechanism, whereas the well suppresses reactivity. Quantum diffraction oscillations and sharp resonances are also predicted based on our ground- and excited-state potential energy surfaces. PMID:28094253

  15. On the late-time behavior of Virasoro blocks and a classification of semiclassical saddles

    NASA Astrophysics Data System (ADS)

    Fitzpatrick, A. Liam; Kaplan, Jared

    2017-04-01

    Recent work has demonstrated that black hole thermodynamics and information loss/restoration in AdS3/CFT2 can be derived almost entirely from the behavior of the Virasoro conformal blocks at large central charge, with relatively little dependence on the precise details of the CFT spectrum or OPE coefficients. Here, we elaborate on the non-perturbative behavior of Virasoro blocks by classifying all `saddles' that can contribute for arbitrary values of external and internal operator dimensions in the semiclassical large central charge limit. The leading saddles, which determine the naive semiclassical behavior of the Virasoro blocks, all decay exponentially at late times, and at a rate that is independent of internal operator dimensions. Consequently, the semiclassical contribution of a finite number of high-energy states cannot resolve a well-known version of the information loss problem in AdS3. However, we identify two infinite classes of sub-leading saddles, and one of these classes does not decay at late times.

  16. Practical Methods for the Analysis of Voltage Collapse in Electric Power Systems: a Stationary Bifurcations Viewpoint.

    NASA Astrophysics Data System (ADS)

    Jean-Jumeau, Rene

    1993-03-01

    Voltage collapse (VC) is generally caused by either of two types of system disturbances: load variations and contingencies. In this thesis, we study VC resulting from load variations. This is termed static voltage collapse. This thesis deals with this type of voltage collapse in electrical power systems by using a stationary bifurcations viewpoint by associating it with the occurrence of saddle node bifurcations (SNB) in the system. Approximate models are generically used in most VC analyses. We consider the validity of these models for the study of SNB and, thus, of voltage collapse. We justify the use of saddle node bifurcation as a model for VC in power systems. In particular, we prove that this leads to definition of a model and--since load demand is used as a parameter for that model--of a mode of parameterization of that model in order to represent actual power demand variations within the power system network. Ill-conditioning of the set of nonlinear equations defining a dynamical system is a generic occurence near the SNB point. We suggest a reparameterization of the set of nonlinear equations which allows to avoid this problem. A new indicator for the proximity of voltage collapse, the voltage collapse index (VCI), is developed. A new (n + 1)-dimensional set of characteristic equations for the computation of the exact SNB point, replacing the standard (2n + 1)-dimensional one is presented for general parameter -dependent nonlinear dynamical systems. These results are then applied to electric power systems for the analysis and prediction of voltage collapse. The new methods offer the potential of faster computation and greater flexibility. For reasons of theoretical development and clarity, the preceding methodologies are developed under the assumption of the absence of constraints on the system parameters and states, and the full differentiability of the functions defining the power system model. In the latter part of this thesis, we relax these assumptions in order to develop a framework and new formulation for application of the tools previously developed for the analysis and prediction of voltage collapse in practical power system models which include numerous constraints and discontinuities. Illustrations and numerical simulations throughout the thesis support our results.

  17. Bracket for photovoltaic modules

    DOEpatents

    Ciasulli, John; Jones, Jason

    2014-06-24

    Brackets for photovoltaic ("PV") modules are described. In one embodiment, a saddle bracket has a mounting surface to support one or more PV modules over a tube, a gusset coupled to the mounting surface, and a mounting feature coupled to the gusset to couple to the tube. The gusset can have a first leg and a second leg extending at an angle relative to the mounting surface. Saddle brackets can be coupled to a torque tube at predetermined locations. PV modules can be coupled to the saddle brackets. The mounting feature can be coupled to the first gusset and configured to stand the one or more PV modules off the tube.

  18. Codimension-1 Sliding Bifurcations of a Filippov Pest Growth Model with Threshold Policy

    NASA Astrophysics Data System (ADS)

    Tang, Sanyi; Tang, Guangyao; Qin, Wenjie

    A Filippov system is proposed to describe the stage structured nonsmooth pest growth with threshold policy control (TPC). The TPC measure is represented by the total density of both juveniles and adults being chosen as an index for decisions on when to implement chemical control strategies. The proposed Filippov system can have three pieces of sliding segments and three pseudo-equilibria, which result in rich sliding mode bifurcations and local sliding bifurcations including boundary node (boundary focus, or boundary saddle) and tangency bifurcations. As the threshold density varies the model exhibits the interesting global sliding bifurcations sequentially: touching → buckling → crossing → sliding homoclinic orbit to a pseudo-saddle → crossing → touching bifurcations. In particular, bifurcation of a homoclinic orbit to a pseudo-saddle with a figure of eight shape, to a pseudo-saddle-node or to a standard saddle-node have been observed for some parameter sets. This implies that control outcomes are sensitive to the threshold level, and hence it is crucial to choose the threshold level to initiate control strategy. One more sliding segment (or pseudo-equilibrium) is induced by the total density of a population guided switching policy, compared to only the juvenile density guided policy, implying that this control policy is more effective in terms of preventing multiple pest outbreaks or causing the density of pests to stabilize at a desired level such as an economic threshold.

  19. Multi-cut solutions in Chern-Simons matrix models

    NASA Astrophysics Data System (ADS)

    Morita, Takeshi; Sugiyama, Kento

    2018-04-01

    We elaborate the Chern-Simons (CS) matrix models at large N. The saddle point equations of these matrix models have a curious structure which cannot be seen in the ordinary one matrix models. Thanks to this structure, an infinite number of multi-cut solutions exist in the CS matrix models. Particularly we exactly derive the two-cut solutions at finite 't Hooft coupling in the pure CS matrix model. In the ABJM matrix model, we argue that some of multi-cut solutions might be interpreted as a condensation of the D2-brane instantons.

  20. AC-driven bilayer graphene: quasienergy spectrum of electrons and generation of soliton-like electromagnetic pulse

    NASA Astrophysics Data System (ADS)

    Kukhar, Egor I.

    2018-01-01

    Quasienergy spectrum of electrons in biased bigraphene subjected to the linear polarized high-frequency electromagnetic radiation has been derived. Quasienergy bands of ac-driven bigraphene have been investigated. Dynamical appearing of the saddle points in band structure of biased bigraphene and energy gap modification have been predicted. Electromagnetic field equation has been written using obtained quasienergy spectrum. The solution corresponding to the soliton-like electromagnetic wave has been obtained. The conditions of soliton-like wave generation in ac-driven bigraphene have been discussed.

  1. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Anderson, James B.

    We report the third in a series of ’exact’ quantum Monte Carlo calculations for the potential energy of the saddle point of the barrier for the reaction H + H{sub 2} → H{sub 2} + H. The barrier heights determined are 9.61 ± 0.01 in 1992/94, 9.608 ± 0.001 in 2003, and 9.6089 ± 0.0001 in 2016 (this work), all in kcal/mole and successively a factor of ten more accurate. The new value is below the lowest value from explicitly correlated Gaussian calculations and within the estimated limits of extrapolated multireference configuration calculations.

  2. The key quality control technology of main cable erection in long-span suspension bridge construction

    NASA Astrophysics Data System (ADS)

    Chen, Yongrui; Wei, Wei; Dai, Jie

    2017-04-01

    Main cable is one of the most important structure of suspension Bridges, which bear all the dead and live load from upper structure. Cable erection is one of the most critical process in suspension bridge construction. Key points about strand erection are studied in this paper, including strand traction, lateral movement, section adjustment, placing into saddle, anchoring, line shape adjustment and keeping, and tension control. The technology has helped a long-span suspension bridge in Yunnan Province, China get a ideal finished state.

  3. The multiuniverse transition in superfluid 3He

    NASA Astrophysics Data System (ADS)

    Bunkov, Yury

    2013-10-01

    The symmetry-breaking phase transitions of the universe and of superfluid 3He may lead to the formation of different states with different order parameters. In both cases the energy potential below the transition temperature has a complicated multidimensional profile with many local minima and saddle points, which correspond to different states. Consequently, not only topological defects, but also islands of different metastable states can be created. Using 3He we can analyse the properties and experimental consequences of such transitions and, in particular, the first-order phase transition between the two low symmetry states.

  4. The multiuniverse transition in superfluid 3He.

    PubMed

    Bunkov, Yury

    2013-10-09

    The symmetry-breaking phase transitions of the universe and of superfluid (3)He may lead to the formation of different states with different order parameters. In both cases the energy potential below the transition temperature has a complicated multidimensional profile with many local minima and saddle points, which correspond to different states. Consequently, not only topological defects, but also islands of different metastable states can be created. Using (3)He we can analyse the properties and experimental consequences of such transitions and, in particular, the first-order phase transition between the two low symmetry states.

  5. OPEN PROBLEM: Turbulence transition in pipe flow: some open questions

    NASA Astrophysics Data System (ADS)

    Eckhardt, Bruno

    2008-01-01

    The transition to turbulence in pipe flow is a longstanding problem in fluid dynamics. In contrast to many other transitions it is not connected with linear instabilities of the laminar profile and hence follows a different route. Experimental and numerical studies within the last few years have revealed many unexpected connections to the nonlinear dynamics of strange saddles and have considerably improved our understanding of this transition. The text summarizes some of these insights and points to some outstanding problems in areas where valuable contributions from nonlinear dynamics can be expected.

  6. Cosmic ray-modified stellar winds. I - Solution topologies and singularities

    NASA Technical Reports Server (NTRS)

    Ko, C. M.; Webb, G. M.

    1987-01-01

    In the present two-fluid hydrodynamical model for stellar wind flow modification due to its interaction with Galactic cosmic rays, these rays are coupled to the stellar wind by either hydromagnetic wave scattering or background flow irregularity propagation. The background flow is modified by the cosmic rays via their pressure gradient. The system of equations used possesses a line of singularities in (r, u, P sub c)-space, or a two-dimensional hypersurface of singularities in (r, u, P sub c, dP sub c/dr)-space, where r, u, and P sub c are respectively the radial distance from the star, the radial wind flow speed, and the cosmic ray pressure. The singular points may be nodes, foci, or saddle points.

  7. Chen-Nester-Tung quasi-local energy and Wang-Yau quasi-local mass

    NASA Astrophysics Data System (ADS)

    Liu, Jian-Liang; Yu, Chengjie

    2017-10-01

    In this paper, we show that the Chen-Nester-Tung (CNT) quasi-local energy with 4D isometric matching references is closely related to the Wang-Yau (WY) quasi-local energy. As a particular example, we compute the second variation of the CNT quasi-local energy for axially symmetric Kerr-like spacetimes with axially symmetric embeddings at the obvious critical point (0 , 0) and find that it is a saddle critical point in most of the cases. Also, as a byproduct, we generalize a previous result about the coincidence of the CNT quasi-local energy and Brown-York mass for axially symmetric Kerr-like spacetimes by Tam and the first author Liu and Tam (2016) to general spacetimes.

  8. Singular dynamics of a q-difference Painlevé equation in its initial-value space

    NASA Astrophysics Data System (ADS)

    Joshi, N.; Lobb, S. B.

    2016-01-01

    We construct the initial-value space of a q-discrete first Painlevé equation explicitly and describe the behaviours of its solutions w(n) in this space as n\\to ∞ , with particular attention paid to neighbourhoods of exceptional lines and irreducible components of the anti-canonical divisor. These results show that trajectories starting in domains bounded away from the origin in initial value space are repelled away from such singular lines. However, the dynamical behaviours in neighbourhoods containing the origin are complicated by the merger of two simple base points at the origin in the limit. We show that these lead to a saddle-point-type behaviour in a punctured neighbourhood of the origin.

  9. View southwest of concrete saddles and flood walls for demolished ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    View southwest of concrete saddles and flood walls for demolished 12-foot pipeline, on west side of West Canada Creek - Trenton Falls Hydroelectric Station, On west bank of West Canada Creek, along Trenton Fally Road, 1.25 miles north of New York Route 28, Trenton Falls, Oneida County, NY

  10. 46 CFR 32.63-25 - Cargo tanks and supports-B/ALL.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... have sufficient additional strength so as to limit the maximum combined tank stress, including saddle horn and bending stresses, to 1.5 times the maximum allowable hoop stress in still water, and to the... shall have sufficient additional strength to limit the maximum combined tank stress, including saddle...

  11. 46 CFR 32.63-25 - Cargo tanks and supports-B/ALL.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... have sufficient additional strength so as to limit the maximum combined tank stress, including saddle horn and bending stresses, to 1.5 times the maximum allowable hoop stress in still water, and to the... shall have sufficient additional strength to limit the maximum combined tank stress, including saddle...

  12. Novel spin transition between S = 5/2 and S = 3/2 in highly saddled iron(III) porphyrin complexes at extremely low temperatures.

    PubMed

    Ohgo, Yoshiki; Chiba, Yuya; Hashizume, Daisuke; Uekusa, Hidehiro; Ozeki, Tomoji; Nakamura, Mikio

    2006-05-14

    A novel spin transition between S = 5/2 and S = 3/2 has been observed for the first time in five-coordinate, highly saddled iron(III) porphyrinates by EPR and SQUID measurements at extremely low temperatures.

  13. Guidelines for Software Engineering Education Version 1.0

    DTIC Science & Technology

    1999-11-01

    Turbo Pascal and Software Design. Sudbury, Massachusetts: Jones and Bartlett, 1997. " Deitel, Harvey M. & Deitel, Paul J. C++: How to Program . Upper...Saddle River, New Jersey: Prentice-Hall, 1997. " Deitel, Harvey M. & Deitel, Paul J. Java: How to Program . Upper Saddle River, New Jersey: Prentice-Hall

  14. 46 CFR 151.10-20 - Hull construction.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... rests upon a pinnacle at the water surface. The maximum hull and tank bending moment and tank saddle... limits of paragraphs (b)(2) (i), (ii), or (iii) of this section. The maximum tank bending moment and... maximum hull and tank bending moments and tank saddle reactions. (ii) All independent tank barges...

  15. 46 CFR 151.10-20 - Hull construction.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... rests upon a pinnacle at the water surface. The maximum hull and tank bending moment and tank saddle... limits of paragraphs (b)(2) (i), (ii), or (iii) of this section. The maximum tank bending moment and... maximum hull and tank bending moments and tank saddle reactions. (ii) All independent tank barges...

  16. 46 CFR 32.63-25 - Cargo tanks and supports-B/ALL.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... have sufficient additional strength so as to limit the maximum combined tank stress, including saddle horn and bending stresses, to 1.5 times the maximum allowable hoop stress in still water, and to the... shall have sufficient additional strength to limit the maximum combined tank stress, including saddle...

  17. 46 CFR 32.63-25 - Cargo tanks and supports-B/ALL.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... have sufficient additional strength so as to limit the maximum combined tank stress, including saddle horn and bending stresses, to 1.5 times the maximum allowable hoop stress in still water, and to the... shall have sufficient additional strength to limit the maximum combined tank stress, including saddle...

  18. Saddle Bag Mountain Research Natural Area: guidebook supplement 34.

    Treesearch

    Reid Schuller; Ronald L. Exeter

    2007-01-01

    This guidebook describes the Saddle Bag Mountain Research Natural Area, a 121-ha (300-ac) tract established to represent an old-growth remnant of Pacific silver fir (Abies amabilis) and western hemlock (Tsuga heterophylla) forest in the Oregon Coast Range. Pacific silver fir and noble fir (Abies procera)...

  19. Multiple attractors and boundary crises in a tri-trophic food chain.

    PubMed

    Boer, M P; Kooi, B W; Kooijman, S A

    2001-02-01

    The asymptotic behaviour of a model of a tri-trophic food chain in the chemostat is analysed in detail. The Monod growth model is used for all trophic levels, yielding a non-linear dynamical system of four ordinary differential equations. Mass conservation makes it possible to reduce the dimension by 1 for the study of the asymptotic dynamic behaviour. The intersections of the orbits with a Poincaré plane, after the transient has died out, yield a two-dimensional Poincaré next-return map. When chaotic behaviour occurs, all image points of this next-return map appear to lie close to a single curve in the intersection plane. This motivated the study of a one-dimensional bi-modal, non-invertible map of which the graph resembles this curve. We will show that the bifurcation structure of the food chain model can be understood in terms of the local and global bifurcations of this one-dimensional map. Homoclinic and heteroclinic connecting orbits and their global bifurcations are discussed also by relating them to their counterparts for a two-dimensional map which is invertible like the next-return map. In the global bifurcations two homoclinic or two heteroclinic orbits collide and disappear. In the food chain model two attractors coexist; a stable limit cycle where the top-predator is absent and an interior attractor. In addition there is a saddle cycle. The stable manifold of this limit cycle forms the basin boundary of the interior attractor. We will show that this boundary has a complicated structure when there are heteroclinic orbits from a saddle equilibrium to this saddle limit cycle. A homoclinic bifurcation to a saddle limit cycle will be associated with a boundary crisis where the chaotic attractor disappears suddenly when a bifurcation parameter is varied. Thus, similar to a tangent local bifurcation for equilibria or limit cycles, this homoclinic global bifurcation marks a region in the parameter space where the top-predator goes extinct. The 'Paradox of Enrichment' says that increasing the concentration of nutrient input can cause destabilization of the otherwise stable interior equilibrium of a bi-trophic food chain. For a tri-trophic food chain enrichment of the environment can even lead to extinction of the highest trophic level.

  20. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Xu, Haixuan; Osetskiy, Yury N; Stoller, Roger E

    The fundamentals of the framework and the details of each component of the self-evolving atomistic kinetic Monte Carlo (SEAKMC) are presented. The strength of this new technique is the ability to simulate dynamic processes with atomistic fidelity that is comparable to molecular dynamics (MD) but on a much longer time scale. The observation that the dimer method preferentially finds the saddle point (SP) with the lowest energy is investigated and found to be true only for defects with high symmetry. In order to estimate the fidelity of dynamics and accuracy of the simulation time, a general criterion is proposed andmore » applied to two representative problems. Applications of SEAKMC for investigating the diffusion of interstitials and vacancies in bcc iron are presented and compared directly with MD simulations, demonstrating that SEAKMC provides results that formerly could be obtained only through MD. The correlation factor for interstitial diffusion in the dumbbell configuration, which is extremely difficult to obtain using MD, is predicted using SEAKMC. The limitations of SEAKMC are also discussed. The paper presents a comprehensive picture of the SEAKMC method in both its unique predictive capabilities and technically important details.« less

  1. Large optics inspection, tilting, and washing stand

    DOEpatents

    Ayers, Marion Jay [Brentwood, CA; Ayers, Shannon Lee [Brentwood, CA

    2010-08-24

    A large optics stand provides a risk free means of safely tilting large optics with ease and a method of safely tilting large optics with ease. The optics are supported in the horizontal position by pads. In the vertical plane the optics are supported by saddles that evenly distribute the optics weight over a large area.

  2. Large optics inspection, tilting, and washing stand

    DOEpatents

    Ayers, Marion Jay; Ayers, Shannon Lee

    2012-10-09

    A large optics stand provides a risk free means of safely tilting large optics with ease and a method of safely tilting large optics with ease. The optics are supported in the horizontal position by pads. In the vertical plane the optics are supported by saddles that evenly distribute the optics weight over a large area.

  3. Exact BPF and FBP algorithms for nonstandard saddle curves.

    PubMed

    Yu, Hengyong; Zhao, Shiying; Ye, Yangbo; Wang, Ge

    2005-11-01

    A hot topic in cone-beam CT research is exact cone-beam reconstruction from a general scanning trajectory. Particularly, a nonstandard saddle curve attracts attention, as this construct allows the continuous periodic scanning of a volume-of-interest (VOI). Here we evaluate two algorithms for reconstruction from data collected along a nonstandard saddle curve, which are in the filtered backprojection (FBP) and backprojection filtration (BPF) formats, respectively. Both the algorithms are implemented in a chord-based coordinate system. Then, a rebinning procedure is utilized to transform the reconstructed results into the natural coordinate system. The simulation results demonstrate that the FBP algorithm produces better image quality than the BPF algorithm, while both the algorithms exhibit similar noise characteristics.

  4. Hypernetted-chain-like closure of Ornstein-Zernike equation in multibody dissipative particle dynamics

    NASA Astrophysics Data System (ADS)

    Mo, Chao-jie; Qin, Li-zi; Yang, Li-jun

    2017-10-01

    We have derived a hypernetted-chain-like (HNC-like) approximate closure of the Ornstein-Zernike equation for multibody dissipative particle dynamics (MDPD) system in which the classic closures are not directly practicable. We first point out that the Percus's method is applicable to MDPD system in which particles interact with a density-dependent potential. And then an HNC-like closure is derived using Percus's idea and the saddle-point approximation of particle free energy. This HNC-like closure is compared with results of previous researchers, and in many cases, it demonstrates better agreement with computer simulation results. The HNC-like closure is used to predict the cluster crystallization in MDPD. We determine whether the cluster crystallization will happen in a system utilizing the widely applicable Hansen-Verlet freezing criterion and by observing the radial distribution function. The conclusions drawn from the results of the HNC-like closure are in agreement with computer simulation results. We evaluate different weight functions to determine whether they are prone to cluster crystallization. A new effective density-dependent pairwise potential is also proposed to help to explain the tendency to cluster crystallization of MDPD systems.

  5. DRAFT One Year Extension of the Short-Term National Product Waiver for Stainless Steel Nuts and Bolts used in Pipe Couplings, Restraints, Joints, Flanges and Saddles for State Revolving Fund Projects

    EPA Pesticide Factsheets

    DRAFT one year extension of the short-term national product waiver for stainless steel nuts and bolts used in pipe couplings, restraints, joints, flanges and saddles for State Revolving Fund projects.

  6. Aerodynamics of cyclist posture, bicycle and helmet characteristics in time trial stage.

    PubMed

    Chabroux, Vincent; Barelle, Caroline; Favier, Daniel

    2012-07-01

    The present work is focused on the aerodynamic study of different parameters, including both the posture of a cyclist's upper limbs and the saddle position, in time trial (TT) stages. The aerodynamic influence of a TT helmet large visor is also quantified as a function of the helmet inclination. Experiments conducted in a wind tunnel on nine professional cyclists provided drag force and frontal area measurements to determine the drag force coefficient. Data statistical analysis clearly shows that the hands positioning on shifters and the elbows joined together are significantly reducing the cyclist drag force. Concerning the saddle position, the drag force is shown to be significantly increased (about 3%) when the saddle is raised. The usual helmet inclination appears to be the inclination value minimizing the drag force. Moreover, the addition of a large visor on the helmet is shown to provide a drag coefficient reduction as a function of the helmet inclination. Present results indicate that variations in the TT cyclist posture, the saddle position and the helmet visor can produce a significant gain in time (up to 2.2%) during stages.

  7. Concentration of biologically active polyamines in rabbit meat, liver and kidney after slaughter and their changes during meat storage and cooking.

    PubMed

    Dadáková, Eva; Pelikánová, Tamara; Kalač, Pavel

    2012-03-01

    The concentration of putrescine (PUT), spermidine (SPD) and spermine (SPM) was determined in chilled meat and kidneys of 18 rabbits and in liver of 12 animals 24h after slaughter. Very low PUT concentrations were detected only in kidneys. Mean SPD levels were 2.2, 2.2, 61.7 and 32.7mgkg(-1) in saddle, leg, liver and kidneys, respectively. The respective SPM concentrations were 14.7, 8.0, 115 and 88.4mgkg(-1). SPD and SPM losses of about one third of the initial levels were apparent in saddles stored at -18°C for 8months. Losses of both polyamines of about 15-20% of the initial concentrations were found in saddles stored aerobically at +2°C for up to 9days. Stewing of saddles caused significant SPD and SPM losses of about 20-25%, while upon roasting and pan-roasting without oil a decrease of about 50% of the initial concentration was observed. Copyright © 2011 Elsevier Ltd. All rights reserved.

  8. The inverse problem of argon diffusion from minerals: Determination of kinetic parameters from stepwise-heating experiments

    USGS Publications Warehouse

    Brandt, Stephen B.; Rasskazov, S.V.; Brandt, I.S.; Ivanov, A.V.; Kunk, Michael J.

    1997-01-01

    Results of two routine 40Ar/39Ar stepwise heating experiments on a biotite and a basanite are interpreted in terms of Fick's and Arrhenius' laws. Both patterns represent a saddle-shaped 39Ar release. Argon isotope spectra are suggested to be controlled by the activation energy of diffusion E and the frequency factor D(o). The activation energy of 39Ar is lower than the one of 40Ar. This results in a preferable release of 40Ar relatively to 39Ar at high-temperature steps and an increasing high-temperature wing in the saddle-shaped age spectrum. At low temperatures, considerable losses and irregularities in release of mainly 39Ar are observed, which cause the decreasing low-temperature wing in the 'saddle'. The suggestion of argon losses (mainly of 39Ar) from a loose, 'unstable' zone of the mineral structures becomes justified. The n-irradiation of the samples and the shift of E of 39Ar towards lower values seems to explain the saddle-shaped age-spectra often encountered in 40Ar/39Ar-geochronometry.

  9. NONLINEAR MULTIGRID SOLVER EXPLOITING AMGe COARSE SPACES WITH APPROXIMATION PROPERTIES

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Christensen, Max La Cour; Villa, Umberto E.; Engsig-Karup, Allan P.

    The paper introduces a nonlinear multigrid solver for mixed nite element discretizations based on the Full Approximation Scheme (FAS) and element-based Algebraic Multigrid (AMGe). The main motivation to use FAS for unstruc- tured problems is the guaranteed approximation property of the AMGe coarse spaces that were developed recently at Lawrence Livermore National Laboratory. These give the ability to derive stable and accurate coarse nonlinear discretization problems. The previous attempts (including ones with the original AMGe method, [5, 11]), were less successful due to lack of such good approximation properties of the coarse spaces. With coarse spaces with approximation properties, ourmore » FAS approach on un- structured meshes should be as powerful/successful as FAS on geometrically re ned meshes. For comparison, Newton's method and Picard iterations with an inner state-of-the-art linear solver is compared to FAS on a nonlinear saddle point problem with applications to porous media ow. It is demonstrated that FAS is faster than Newton's method and Picard iterations for the experiments considered here. Due to the guaranteed approximation properties of our AMGe, the coarse spaces are very accurate, providing a solver with the potential for mesh-independent convergence on general unstructured meshes.« less

  10. A pilot investigation into the effects of different office chairs on spinal angles.

    PubMed

    Annetts, S; Coales, P; Colville, R; Mistry, D; Moles, K; Thomas, B; van Deursen, R

    2012-05-01

    To investigate the effects of four office chairs on the postural angles of the lumbopelvic and cervical regions. Which chair(s) produce an "ideal" spinal posture? An experimental same subject design was used involving healthy subjects (n = 14) who conducted a typing task whilst sitting on four different office chairs; two "dynamic" chairs (Vari-Kneeler and Swopper), and two static chairs (Saddle and Standard Office with back removed). Data collection was via digital photogrammetry, measuring pelvic and lumbar angles, neck angle and head tilt which were then analysed within MatLab. A repeated measures ANOVA with Bonferroni corrections for multiple comparisons was conducted. Statistically significant differences were identified for posterior pelvic tilt and lumbar lordosis between the Vari-Kneeler and Swopper chairs (p = 0.006, p = 0.001) and the Vari-Kneeler and Standard Office chairs (p = 0.000, 0.000); and also for neck angle and head tilt between the Vari-Kneeler and Swopper chairs (p = 0.000, p = 0.000), the Vari-Kneeler and Saddle chairs (p = 0.002, p = 0.001), the Standard Office and Swopper chairs (p = 0.000, p = 0.000), and the Standard Office and Saddle chairs (p = 0.005, p = 0.001). This study confirms a within region association between posterior pelvic tilt and lumbar lordosis, and between neck angle and head tilt. It was noted that an ideal lumbopelvic position does not always result in a corresponding ideal cervical position resulting in a spinal alignment mismatch. In this study, the most appropriate posture for the lumbopelvic region was produced by the Saddle chair and for the cervical region by both the Saddle and Swopper chairs. No chair consistently produced an ideal posture across all regions, although the Saddle chair created the best posture of those chairs studied. Chair selection should be based on individual need.

  11. Topology of three-dimensional separated flows

    NASA Technical Reports Server (NTRS)

    Tobak, M.; Peake, D. J.

    1981-01-01

    Based on the hypothesis that patterns of skin-friction lines and external streamlines reflect the properties of continuous vector fields, topology rules define a small number of singular points (nodes, saddle points, and foci) that characterize the patterns on the surface and on particular projections of the flow (e.g., the crossflow plane). The restricted number of singular points and the rules that they obey are considered as an organizing principle whose finite number of elements can be combined in various ways to connect together the properties common to all steady three dimensional viscous flows. Introduction of a distinction between local and global properties of the flow resolves an ambiguity in the proper definition of a three dimensional separated flow. Adoption of the notions of topological structure, structural stability, and bifurcation provides a framework to describe how three dimensional separated flows originate and succeed each other as the relevant parameters of the problem are varied.

  12. Study of five-dimensional potential-energy surfaces for actinide isotopes by the macroscopic-microscopic method

    NASA Astrophysics Data System (ADS)

    Fan, T. S.; Wang, Z. M.; Zhu, X.; Zhu, W. J.; Zhong, C. L.

    2017-09-01

    In this work, the nuclear potential-energy of the deformed nuclei as a function of shape coordinates is calculated in a five-dimensional (5D) parameter space of the axially symmetric generalized Lawrence shapes, on the basis of the macroscopic-microscopic method. The liquid-drop part of the nuclear energy is calculated according to the Myers-Swiatecki model and the Lublin-Strasbourg-drop (LSD) formula. The Woods-Saxon and the folded-Yukawa potentials for deformed nuclei are used for the shell and pairing corrections of the Strutinsky-type. The pairing corrections are calculated at zero temperature, T, related to the excitation energy. The eigenvalues of Hamiltonians for protons and neutrons are found by expanding the eigen-functions in terms of harmonic-oscillator wave functions of a spheroid. Then the BCS pair is applied on the smeared-out single-particle spectrum. By comparing the results obtained by different models, the most favorable combination of the macroscopic-microscopic model is known as the LSD formula with the folded-Yukawa potential. Potential-energy landscapes for actinide isotopes are investigated based on a grid of more than 4,000,000 deformation points and the heights of static fission barriers are obtained in terms of a double-humped structure on the full 5D parameter space. In order to locate the ground state shapes, saddle points, scission points and optimal fission path on the calculated 5D potential-energy surface, the falling rain algorithm and immersion method are designed and implemented. The comparison of our results with available experimental data and others' theoretical results confirms the reliability of our calculations.

  13. 76 FR 54093 - Airworthiness Directives; Bombardier, Inc. Model DHC-8-400 Series Airplanes

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-08-31

    ... is found to be incorrect (i.e., the ring can be rotated during any torque check required by this AD), before further flight, replace all hardware at that location (except the saddle washer and retainer) in... that location (except the saddle washer and retainer) in accordance with paragraph 3.B., part B, of the...

  14. Exact BPF and FBP algorithms for nonstandard saddle curves

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yu Hengyong; Zhao Shiying; Ye Yangbo

    2005-11-15

    A hot topic in cone-beam CT research is exact cone-beam reconstruction from a general scanning trajectory. Particularly, a nonstandard saddle curve attracts attention, as this construct allows the continuous periodic scanning of a volume-of-interest (VOI). Here we evaluate two algorithms for reconstruction from data collected along a nonstandard saddle curve, which are in the filtered backprojection (FBP) and backprojection filtration (BPF) formats, respectively. Both the algorithms are implemented in a chord-based coordinate system. Then, a rebinning procedure is utilized to transform the reconstructed results into the natural coordinate system. The simulation results demonstrate that the FBP algorithm produces better imagemore » quality than the BPF algorithm, while both the algorithms exhibit similar noise characteristics.« less

  15. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Soerensen, M.P.; Davidson, A.; Pedersen, N.F.

    We use the method of cell-to-cell mapping to locate attractors, basins, and saddle nodes in the phase plane of a driven Josephson junction. The cell-mapping method is discussed in some detail, emphasizing its ability to provide a global view of the phase plane. Our computations confirm the existence of a previously reported interior crisis. In addition, we observe a boundary crisis for a small shift in one parameter. The cell-mapping method allows us to show both crises explicitly in the phase plane, at low computational cost.

  16. 49 CFR Appendix G to Subchapter B... - Minimum Periodic Inspection Standards

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... or broken cable strands. (b) Improper clamps or clamping. f. Saddle-Mounts. (1) Method of attachment... axle. (6) A tube-type radial tire without radial tube stem markings. These markings include a red band around the tube stem, the word “radial” embossed in metal stems, or the word “radial” molded in rubber...

  17. The Working Postures among Schoolchildren--Controlled Intervention Study on the Effects of Newly Designed Workstations

    ERIC Educational Resources Information Center

    Saarni, Lea; Nygrd, Clas-H kan; Rimpel, Arja; Nummi, Tapio; Kaukiainen, Anneli

    2007-01-01

    Background: School workstations are often inappropriate in not offering an optimal sitting posture. The aim of this study was to investigate the effects of individually adjustable saddle-type chairs with wheels and desks with comfort curve and arm support on schoolchildren's working postures compared to conventional workstations. Methods:…

  18. Some issues related to the novel spectral acceleration method for the fast computation of radiation/scattering from one-dimensional extremely large scale quasi-planar structures

    NASA Astrophysics Data System (ADS)

    Torrungrueng, Danai; Johnson, Joel T.; Chou, Hsi-Tseng

    2002-03-01

    The novel spectral acceleration (NSA) algorithm has been shown to produce an $[\\mathcal{O}]$(Ntot) efficient iterative method of moments for the computation of radiation/scattering from both one-dimensional (1-D) and two-dimensional large-scale quasi-planar structures, where Ntot is the total number of unknowns to be solved. This method accelerates the matrix-vector multiplication in an iterative method of moments solution and divides contributions between points into ``strong'' (exact matrix elements) and ``weak'' (NSA algorithm) regions. The NSA method is based on a spectral representation of the electromagnetic Green's function and appropriate contour deformation, resulting in a fast multipole-like formulation in which contributions from large numbers of points to a single point are evaluated simultaneously. In the standard NSA algorithm the NSA parameters are derived on the basis of the assumption that the outermost possible saddle point, φs,max, along the real axis in the complex angular domain is small. For given height variations of quasi-planar structures, this assumption can be satisfied by adjusting the size of the strong region Ls. However, for quasi-planar structures with large height variations, the adjusted size of the strong region is typically large, resulting in significant increases in computational time for the computation of the strong-region contribution and degrading overall efficiency of the NSA algorithm. In addition, for the case of extremely large scale structures, studies based on the physical optics approximation and a flat surface assumption show that the given NSA parameters in the standard NSA algorithm may yield inaccurate results. In this paper, analytical formulas associated with the NSA parameters for an arbitrary value of φs,max are presented, resulting in more flexibility in selecting Ls to compromise between the computation of the contributions of the strong and weak regions. In addition, a ``multilevel'' algorithm, decomposing 1-D extremely large scale quasi-planar structures into more than one weak region and appropriately choosing the NSA parameters for each weak region, is incorporated into the original NSA method to improve its accuracy.

  19. Dynamic behavior of the bray-liebhafsky oscillatory reaction controlled by sulfuric acid and temperature

    NASA Astrophysics Data System (ADS)

    Pejić, N.; Vujković, M.; Maksimović, J.; Ivanović, A.; Anić, S.; Čupić, Ž.; Kolar-Anić, Lj.

    2011-12-01

    The non-periodic, periodic and chaotic regimes in the Bray-Liebhafsky (BL) oscillatory reaction observed in a continuously fed well stirred tank reactor (CSTR) under isothermal conditions at various inflow concentrations of the sulfuric acid were experimentally studied. In each series (at any fixed temperature), termination of oscillatory behavior via saddle loop infinite period bifurcation (SNIPER) as well as some kind of the Andronov-Hopf bifurcation is presented. In addition, it was found that an increase of temperature, in different series of experiments resulted in the shift of bifurcation point towards higher values of sulfuric acid concentration.

  20. Stability of excitons in double quantum well: Through electron and holes transmission probabilities

    NASA Astrophysics Data System (ADS)

    Vignesh, G.; Nithiananthi, P.

    2017-05-01

    Stability of excitons has been analyzed using the transmission probability of its constituent particles in GaAs/Al0.3Ga0.7As Double Quantum Well (DQW) structure by varying well and barrier layer thickness. The effective mass approximation is used and anisotropy in material properties are also considered to get realistic situations. It is observed that tuning barrier layer avails many resonance peaks for the transmission and tuning well width admits maximum transmission at narrow well widths. Every saddle point of the observed transmission coefficients decides the formation, strength and transportation of excitons in DQW.

  1. Unbinding slave spins in the Anderson impurity model

    NASA Astrophysics Data System (ADS)

    Guerci, Daniele; Fabrizio, Michele

    2017-11-01

    We show that a generic single-orbital Anderson impurity model, lacking, for instance, any kind of particle-hole symmetry, can be exactly mapped without any constraint onto a resonant level model coupled to two Ising variables, which reduce to one if the hybridization is particle-hole symmetric. The mean-field solution of this model is found to be stable to unphysical spontaneous magnetization of the impurity, unlike the saddle-point solution in the standard slave-boson representation. Remarkably, the mean-field estimate of the Wilson ratio approaches the exact value RW=2 in the Kondo regime.

  2. On the structure of critical energy levels for the cubic focusing NLS on star graphs

    NASA Astrophysics Data System (ADS)

    Adami, Riccardo; Cacciapuoti, Claudio; Finco, Domenico; Noja, Diego

    2012-05-01

    We provide information on a non-trivial structure of phase space of the cubic nonlinear Schrödinger (NLS) on a three-edge star graph. We prove that, in contrast to the case of the standard NLS on the line, the energy associated with the cubic focusing Schrödinger equation on the three-edge star graph with a free (Kirchhoff) vertex does not attain a minimum value on any sphere of constant L2-norm. We moreover show that the only stationary state with prescribed L2-norm is indeed a saddle point.

  3. Simultaneous optical flow and source estimation: Space–time discretization and preconditioning

    PubMed Central

    Andreev, R.; Scherzer, O.; Zulehner, W.

    2015-01-01

    We consider the simultaneous estimation of an optical flow field and an illumination source term in a movie sequence. The particular optical flow equation is obtained by assuming that the image intensity is a conserved quantity up to possible sources and sinks which represent varying illumination. We formulate this problem as an energy minimization problem and propose a space–time simultaneous discretization for the optimality system in saddle-point form. We investigate a preconditioning strategy that renders the discrete system well-conditioned uniformly in the discretization resolution. Numerical experiments complement the theory. PMID:26435561

  4. Abstract generalized vector quasi-equilibrium problems in noncompact Hadamard manifolds.

    PubMed

    Lu, Haishu; Wang, Zhihua

    2017-01-01

    This paper deals with the abstract generalized vector quasi-equilibrium problem in noncompact Hadamard manifolds. We prove the existence of solutions to the abstract generalized vector quasi-equilibrium problem under suitable conditions and provide applications to an abstract vector quasi-equilibrium problem, a generalized scalar equilibrium problem, a scalar equilibrium problem, and a perturbed saddle point problem. Finally, as an application of the existence of solutions to the generalized scalar equilibrium problem, we obtain a weakly mixed variational inequality and two mixed variational inequalities. The results presented in this paper unify and generalize many known results in the literature.

  5. The C4H7+ cation. A theoretical investigation

    NASA Technical Reports Server (NTRS)

    Koch, W.; Liu, B.; DeFrees, D. J.

    1988-01-01

    The potential energy surface of the C4H7+ cation has been investigated with ab initio quantum chemical theory. Extended basis set calculations, including electronic correlation, show that cyclobutyl and cyclopropylcarbinyl cation are equally stable isomers. The saddle point connecting these isomers lies 0.6 kcal/mol above the minima. The global C4H7+ minimum corresponds to the 1-methylallyl cation, which is 9.0 kcal/mol more stable than the cyclobutyl and the cyclopropylcarbinyl cation and 9.5 kcal/mol below the 2-methylallyl cation. These results are in excellent agreement with experimental data.

  6. Theory of High-T{sub c} Superconducting Cuprates Based on Experimental Evidence

    DOE R&D Accomplishments Database

    Abrikosov, A. A.

    1999-12-10

    A model of superconductivity in layered high-temperature superconducting cuprates is proposed, based on the extended saddle point singularities in the electron spectrum, weak screening of the Coulomb interaction and phonon-mediated interaction between electrons plus a small short-range repulsion of Hund's, or spin-fluctuation, origin. This permits to explain the large values of T{sub c}, features of the isotope effect on oxygen and copper, the existence of two types of the order parameter, the peak in the inelastic neutron scattering, the positive curvature of the upper critical field, as function of temperature etc.

  7. Models and finite element approximations for interacting nanosized piezoelectric bodies and acoustic medium

    NASA Astrophysics Data System (ADS)

    Nasedkin, A. V.

    2017-01-01

    This research presents the new size-dependent models of piezoelectric materials oriented to finite element applications. The proposed models include the facilities of taking into account different mechanisms of damping for mechanical and electric fields. The coupled models also incorporate the equations of the theory of acoustics for viscous fluids. In particular cases, these models permit to use the mode superposition method with full separation of the finite element systems into independent equations for the independent modes for transient and harmonic problems. The main boundary conditions were supplemented with the facilities of taking into account the coupled surface effects, allowing to explore the nanoscale piezoelectric materials in the framework of theories of continuous media with surface stresses and their generalizations. For the considered problems we have implemented the finite element technologies and various numerical algorithms to maintain a symmetrical structure of the finite element quasi-definite matrices (matrix structure for the problems with a saddle point).

  8. Strongly enhanced Rashba splittings in an oxide heterostructure: A tantalate monolayer on BaHfO 3

    DOE PAGES

    Kim, Minsung; Ihm, Jisoon; Chung, Suk Bum

    2016-09-22

    In the two-dimensional electron gas emerging at the transition metal oxide surface and interface, various exotic electronic ordering and topological phases can become experimentally more accessible with the stronger Rashba spin-orbit interaction. Here, we present a promising route to realize significant Rashba-type band splitting using a thin film heterostructure. Based on first-principles methods and analytic model analyses, a tantalate monolayer on BaHfO 3 is shown to host two-dimensional bands originating from Ta t 2g states with strong Rashba spin splittings, nearly 10% of the bandwidth, at both the band minima and saddle points. An important factor in this enhanced splittingmore » is the significant t 2g–e g interband coupling, which can generically arise when the inversion symmetry is maximally broken due to the strong confinement of the 2DEG on a transition metal oxide surface. Here, our results could be useful in realizing topological superconductivity at oxide surfaces.« less

  9. Simplified paraboloid phase model-based phase tracker for demodulation of a single complex fringe.

    PubMed

    He, A; Deepan, B; Quan, C

    2017-09-01

    A regularized phase tracker (RPT) is an effective method for demodulation of single closed-fringe patterns. However, lengthy calculation time, specially designed scanning strategy, and sign-ambiguity problems caused by noise and saddle points reduce its effectiveness, especially for demodulating large and complex fringe patterns. In this paper, a simplified paraboloid phase model-based regularized phase tracker (SPRPT) is proposed. In SPRPT, first and second phase derivatives are pre-determined by the density-direction-combined method and discrete higher-order demodulation algorithm, respectively. Hence, cost function is effectively simplified to reduce the computation time significantly. Moreover, pre-determined phase derivatives improve the robustness of the demodulation of closed, complex fringe patterns. Thus, no specifically designed scanning strategy is needed; nevertheless, it is robust against the sign-ambiguity problem. The paraboloid phase model also assures better accuracy and robustness against noise. Both the simulated and experimental fringe patterns (obtained using electronic speckle pattern interferometry) are used to validate the proposed method, and a comparison of the proposed method with existing RPT methods is carried out. The simulation results show that the proposed method has achieved the highest accuracy with less computational time. The experimental result proves the robustness and the accuracy of the proposed method for demodulation of noisy fringe patterns and its feasibility for static and dynamic applications.

  10. Theoretical study of the incompressible Navier-Stokes equations by the least-squares method

    NASA Technical Reports Server (NTRS)

    Jiang, Bo-Nan; Loh, Ching Y.; Povinelli, Louis A.

    1994-01-01

    Usually the theoretical analysis of the Navier-Stokes equations is conducted via the Galerkin method which leads to difficult saddle-point problems. This paper demonstrates that the least-squares method is a useful alternative tool for the theoretical study of partial differential equations since it leads to minimization problems which can often be treated by an elementary technique. The principal part of the Navier-Stokes equations in the first-order velocity-pressure-vorticity formulation consists of two div-curl systems, so the three-dimensional div-curl system is thoroughly studied at first. By introducing a dummy variable and by using the least-squares method, this paper shows that the div-curl system is properly determined and elliptic, and has a unique solution. The same technique then is employed to prove that the Stokes equations are properly determined and elliptic, and that four boundary conditions on a fixed boundary are required for three-dimensional problems. This paper also shows that under four combinations of non-standard boundary conditions the solution of the Stokes equations is unique. This paper emphasizes the application of the least-squares method and the div-curl method to derive a high-order version of differential equations and additional boundary conditions. In this paper, an elementary method (integration by parts) is used to prove Friedrichs' inequalities related to the div and curl operators which play an essential role in the analysis.

  11. Developing Cultural Competence at the Tactical Level: The Art of the Possible

    DTIC Science & Technology

    2009-12-11

    which together influence the cultural paradigm. Figure 1. The Cultural Web Source: Gerry Johnson and Kevan Scholes, Exploring Corporate Strategy (Saddle... corporate strategy . Saddle River, NJ: Prentice Hall Rodriguez, B. M. 1999. Creating inclusive and multicultural communities: Working through assumptions...Jasper, Melanie and Jumaa Mansour. 2004. Effective healthcare leadership. Blackwell Press. Johnson, Gerry, and Kevan Scholes. 1997. Exploring

  12. The Linear Quadratic Gaussian Multistage Game with Nonclassical Information Pattern Using a Direct Solution Method

    NASA Astrophysics Data System (ADS)

    Clemens, Joshua William

    Game theory has application across multiple fields, spanning from economic strategy to optimal control of an aircraft and missile on an intercept trajectory. The idea of game theory is fascinating in that we can actually mathematically model real-world scenarios and determine optimal decision making. It may not always be easy to mathematically model certain real-world scenarios, nonetheless, game theory gives us an appreciation for the complexity involved in decision making. This complexity is especially apparent when the players involved have access to different information upon which to base their decision making (a nonclassical information pattern). Here we will focus on the class of adversarial two-player games (sometimes referred to as pursuit-evasion games) with nonclassical information pattern. We present a two-sided (simultaneous) optimization solution method for the two-player linear quadratic Gaussian (LQG) multistage game. This direct solution method allows for further interpretation of each player's decision making (strategy) as compared to previously used formal solution methods. In addition to the optimal control strategies, we present a saddle point proof and we derive an expression for the optimal performance index value. We provide some numerical results in order to further interpret the optimal control strategies and to highlight real-world application of this game-theoretic optimal solution.

  13. Critical Slowing Down Governs the Transition to Neuron Spiking

    PubMed Central

    Meisel, Christian; Klaus, Andreas; Kuehn, Christian; Plenz, Dietmar

    2015-01-01

    Many complex systems have been found to exhibit critical transitions, or so-called tipping points, which are sudden changes to a qualitatively different system state. These changes can profoundly impact the functioning of a system ranging from controlled state switching to a catastrophic break-down; signals that predict critical transitions are therefore highly desirable. To this end, research efforts have focused on utilizing qualitative changes in markers related to a system’s tendency to recover more slowly from a perturbation the closer it gets to the transition—a phenomenon called critical slowing down. The recently studied scaling of critical slowing down offers a refined path to understand critical transitions: to identify the transition mechanism and improve transition prediction using scaling laws. Here, we outline and apply this strategy for the first time in a real-world system by studying the transition to spiking in neurons of the mammalian cortex. The dynamical system approach has identified two robust mechanisms for the transition from subthreshold activity to spiking, saddle-node and Hopf bifurcation. Although theory provides precise predictions on signatures of critical slowing down near the bifurcation to spiking, quantitative experimental evidence has been lacking. Using whole-cell patch-clamp recordings from pyramidal neurons and fast-spiking interneurons, we show that 1) the transition to spiking dynamically corresponds to a critical transition exhibiting slowing down, 2) the scaling laws suggest a saddle-node bifurcation governing slowing down, and 3) these precise scaling laws can be used to predict the bifurcation point from a limited window of observation. To our knowledge this is the first report of scaling laws of critical slowing down in an experiment. They present a missing link for a broad class of neuroscience modeling and suggest improved estimation of tipping points by incorporating scaling laws of critical slowing down as a strategy applicable to other complex systems. PMID:25706912

  14. Application of a Saddle-Type Eddy Current Sensor in Steel Ball Surface-Defect Inspection.

    PubMed

    Zhang, Huayu; Zhong, Mingming; Xie, Fengqin; Cao, Maoyong

    2017-12-05

    Steel ball surface-defect inspection was performed by using a new saddle-type eddy current sensor (SECS), which included a saddle coil and a signal conditioning circuit. The saddle coil was directly wound on the steel ball's outer bracket in a semi-circumferential direction. Driven by a friction wheel, the test steel ball rotated in a one-dimensional direction, such that the steel ball surface was fully scanned by the SECS. There were two purposes for using the SECS in the steel ball inspection system: one was to reduce the complexity of the unfolding wheel of the surface deployment mechanism, and the other was to reduce the difficulty of sensor processing and installation. Experiments were carried out on bearing steel balls in diameter of 8 mm with three types of representative and typical defects by using the SECS, and the results showed that the inspection system can detect surface defects as small as 0.05 mm in width and 0.1 mm in depth with high-repetition detection accuracy, and the detection efficiency of 5 pcs/s, which meet the requirement for inspecting ISO grade 10 bearing steel balls. The feasibility of detecting steel ball surface defects by SECS was verified.

  15. An experimental study of entrainment and transport in the turbulent near wake of a circular cylinder

    NASA Technical Reports Server (NTRS)

    Cantwell, B.; Coles, D.

    1983-01-01

    Attention is given to an experimental investigation of transport processes in the near wake of a circular cylinder, for a Reynolds number of 140,000, in which an X-array of hot wire probes mounted on a pair of whirling arms was used for flow measurement. Rotation of the arms in a uniform flow applies a wide range of relative flow angles to these X-arrays, making them inherently self-calibrating in pitch. A phase signal synchronized with the vortex-shedding process allowed a sorting of the velocity data into 16 populations, each having essentially constant phase. An ensemble average for each population yielded a sequence of pictures of the instantaneous mean flow field in which the vortices are frozen, as they would be on a photograph. The measurements also yield nonsteady mean data for velocity, intermittency, vorticity, stress, and turbulent energy production, as a function of phase. Emphasis is given in a discussion of study results to the nonsteady mean flow, which emerges as a pattern of centers and saddles in a frame of reference that moves with the eddies. The kinematics of the vortex formation process are described in terms of the formation and evolution of saddle points between vortices in the first few diameters of the near wake.

  16. Free energy perturbation method for measuring elastic constants of liquid crystals

    NASA Astrophysics Data System (ADS)

    Joshi, Abhijeet

    There is considerable interest in designing liquid crystals capable of yielding specific morphological responses in confined environments, including capillaries and droplets. The morphology of a liquid crystal is largely dictated by the elastic constants, which are difficult to measure and are only available for a handful of substances. In this work, a first-principles based method is proposed to calculate the Frank elastic constants of nematic liquid crystals directly from atomistic models. These include the standard splay, twist and bend deformations, and the often-ignored but important saddle-splay constant. The proposed method is validated using a well-studied Gay-Berne(3,5,2,1) model; we examine the effects of temperature and system size on the elastic constants in the nematic and smectic phases. We find that our measurements of splay, twist, and bend elastic constants are consistent with previous estimates for the nematic phase. We further outline the implementation of our approach for the saddle-splay elastic constant, and find it to have a value at the limits of the Ericksen inequalities. We then proceed to report results for the elastic constants commonly known liquid crystals namely 4-pentyl-4'-cynobiphenyl (5CB) using atomistic model, and show that the values predicted by our approach are consistent with a subset of the available but limited experimental literature.

  17. Migrated hydrocarbons in exposure of Maastrichtian nonmarine strata near Saddle Mountain, lower Cook Inlet, Alaska

    USGS Publications Warehouse

    LePain, D.L.; Lillis, P.G.; Helmold, K.P.; Stanley, R.G.

    2012-01-01

    Magoon and others (1980) described an 83-meter- (272-foot-) thick succession of Maastrichtian (Upper Cretaceous) conglomerate, sandstone, mudstone, and coal exposed on the south side of an unnamed drainage, approximately 3 kilometers (1.8 miles) east of Saddle Mountain in lower Cook Inlet (figs. 1 and 2). The initial significance of this exposure was that it was the first reported occurrence of nonmarine rocks of this age in outcrop in lower Cook Inlet, which helped constrain the Late Cretaceous paleogeography of the area and provided important information on the composition of latest Mesozoic sandstones in the basin. The Saddle Mountain section is thought to be an outcrop analog for Upper Cretaceous nonmarine strata penetrated in the OCS Y-0097 #1 (Raven) well, located approximately 40 kilometers (25 miles) to the south–southeast in Federal waters (fig. 1). Atlantic Richfield Company (ARCO) drilled the Raven well in 1980 and encountered oil-stained rocks and moveable liquid hydrocarbons between the depths of 1,760 and 3,700 feet. Completion reports on file with the Bureau of Ocean Energy Management (BOEM; formerly Bureau of Ocean Energy Management, Regulation and Enforcement, and prior to 2010, U.S. Minerals Management Service) either show flow rates of zero or do not mention flow rates. A fluid analysis report on file with BOEM suggests that a wireline tool sampled some oil beneath a 2,010-foot diesel cushion during the fl ow test of the 3,145–3,175 foot interval, but the recorded fl ow rate was still zero (Kirk Sherwood, written commun., January 9, 2012). Further delineation and evaluation of the apparent accumulation was never performed and the well was plugged and abandoned. As part of a 5-year comprehensive evaluation of the geology and petroleum systems of the Cook Inlet forearc basin, the Alaska Division of Geological & Geophysical Surveys obtained a research permit from the National Park Service to access the relatively poorly understood ‘Saddle Mountain exposure’ that is located in the Lake Clark National Park and Preserve. This work was done in cooperation with the Alaska Division of Oil & Gas and U.S. Geological Survey (USGS) research geologists. This report expands on Magoon and others’ (1980) description of the exposure, presents new data on sandstone composition and reservoir quality, presents new geochemical data on petroleum extracted from the outcropping sandstone, and describes oil-bearing correlative strata penetrated by the Raven well. Although the exposure is more than a kilometer (0.6 mile) east of Saddle Mountain (fig. 2), in this report we variously refer to it as the Saddle Mountain succession, Saddle Mountain section, or the rocks at Saddle Mountain underlain by Upper Jurassic strata of the Naknek Formation.

  18. Ice on waterfowl markers

    USGS Publications Warehouse

    Greenwood, R.J.; Bair, W.C.

    1974-01-01

    Wild and captive giant Canada geese (Branta canadensis maxima) and captive mallards (Anas platyrhynchos) accumulated ice on neck collars and/or nasal saddles during winter storm periods in 1971 and 1972. Weather conditions associated with icing were documented, and characteristics of icing are discussed. Severe marker icing occurred during subfreezing weather when the windchill reached approximately -37 deg.C. Birds appeared able to de-ice nasal saddles in most instances.

  19. Improved multidimensional semiclassical tunneling theory.

    PubMed

    Wagner, Albert F

    2013-12-12

    We show that the analytic multidimensional semiclassical tunneling formula of Miller et al. [Miller, W. H.; Hernandez, R.; Handy, N. C.; Jayatilaka, D.; Willets, A. Chem. Phys. Lett. 1990, 172, 62] is qualitatively incorrect for deep tunneling at energies well below the top of the barrier. The origin of this deficiency is that the formula uses an effective barrier weakly related to the true energetics but correctly adjusted to reproduce the harmonic description and anharmonic corrections of the reaction path at the saddle point as determined by second order vibrational perturbation theory. We present an analytic improved semiclassical formula that correctly includes energetic information and allows a qualitatively correct representation of deep tunneling. This is done by constructing a three segment composite Eckart potential that is continuous everywhere in both value and derivative. This composite potential has an analytic barrier penetration integral from which the semiclassical action can be derived and then used to define the semiclassical tunneling probability. The middle segment of the composite potential by itself is superior to the original formula of Miller et al. because it incorporates the asymmetry of the reaction barrier produced by the known reaction exoergicity. Comparison of the semiclassical and exact quantum tunneling probability for the pure Eckart potential suggests a simple threshold multiplicative factor to the improved formula to account for quantum effects very near threshold not represented by semiclassical theory. The deep tunneling limitations of the original formula are echoed in semiclassical high-energy descriptions of bound vibrational states perpendicular to the reaction path at the saddle point. However, typically ab initio energetic information is not available to correct it. The Supporting Information contains a Fortran code, test input, and test output that implements the improved semiclassical tunneling formula.

  20. Chaotic advection and heat transfer in two similar 2-D periodic flows and in their corresponding 3-D periodic flows

    NASA Astrophysics Data System (ADS)

    Vinsard, G.; Dufour, S.; Saatdjian, E.; Mota, J. P. B.

    2016-03-01

    Chaotic advection can effectively enhance the heat transfer rate between a boundary and fluids with high Prandtl number. These fluids are usually highly viscous and thus turbulent agitation is not a viable solution since the energy required to mix the fluid would be prohibitive. Here, we analyze previously obtained results on chaotic advection and heat transfer in two similar 2-D periodic flows and on their corresponding 3-D periodic flows when an axial velocity component is superposed. The two flows studied are the flow between eccentric rotating cylinders and the flow between confocal ellipses. For both of these flows the analysis is simplified because the Stokes equations can be solved analytically to obtain a closed form solution. For both 2-D periodic flows, we show that chaotic heat transfer is enhanced by the displacement of the saddle point location during one period. Furthermore, the enhancement by chaotic advection in the elliptical geometry is approximately double that obtained in the cylindrical geometry because there are two saddle points instead of one. We also explain why, for high eccentricity ratios, there is no heat transfer enhancement in the cylindrical geometry. When an axial velocity component is added to both of these flows so that they become 3-D, previous work has shown that there is an optimum modulation frequency for which chaotic advection and heat transfer enhancement is a maximum. Here we show that the optimum modulation frequency can be derived from results without an axial flow. We also explain by physical arguments other previously unanswered questions in the published data.

  1. Miocene−Pleistocene deformation of the Saddle Mountains: Implications for seismic hazard in central Washington, USA

    USGS Publications Warehouse

    Staisch, Lydia; Kelsey, Harvey; Sherrod, Brian; Möller, Andreas; Paces, James B.; Blakely, Richard J.; Styron, Richard

    2017-01-01

    The Yakima fold province, located in the backarc of the Cascadia subduction zone, is a region of active strain accumulation and deformation distributed across a series of fault-cored folds. The geodetic network in central Washington has been used to interpret large-scale N-S shortening and westward-increasing strain; however, geodetic data are unable to resolve shortening rates across individual structures in this low-strain-rate environment. Resolving fault geometries, slip rates, and timing of faulting in the Yakima fold province is critically important to seismic hazard assessment for nearby infrastructure and population centers.The Saddle Mountains anticline is one of the most prominent Yakima folds. It is unique within the Yakima fold province in that the syntectonic strata of the Ringold Formation are preserved and provide a record of deformation and drainage reorganization. Here, we present new stratigraphic columns, U-Pb zircon tephra ages, U-series caliche ages, and geophysical modeling that constrain two line-balanced and retrodeformed cross sections. These new constraints indicate that the Saddle Mountains anticline has accommodated 1.0−1.3 km of N-S shortening since 10 Ma, that shortening increases westward along the anticline, and that the average slip rate has increased 6-fold since 6.8 Ma. Provenance analysis suggests that the source terrane for the Ringold Formation was similar to that of the modern Snake River Plain. Using new slip rates and structural constraints, we calculate the strain accumulation time, interpretable as a recurrence interval, for earthquakes on the Saddle Mountains fault and find that large-magnitude earthquakes could rupture along the Saddle Mountains fault every 2−11 k.y.

  2. Monolithic diffraction-limited 976-nm laser based on saddle-shaped photo darkening-free Yb-doped fiber

    NASA Astrophysics Data System (ADS)

    Aleshkina, Svetlana S.; Lipatov, Denis S.; Levchenko, Andrei E.; Medvedkov, Oleg I.; Bobkov, Konstantin K.; Bubnov, Mikhail M.; Guryanov, Alexei N.; Likhachev, Mikhail E.

    2018-02-01

    Monolithic 976 nm laser design based on a newly developed saddle-shaped Yb-doped fiber has been proposed. The fiber has central single-mode part with core diameter of about 12 μm and ultra-thin square-shaped clad with side of about 42x42 μm. At the both ends of the saddle-shaped fiber the core and the clad sizes were adiabatically increased up to 20/(70x70) μm and the fiber could be spliced with standard (80..125 μm clad) passive fibers using commercially available equipment. Single-mode laser at 976 nm based on the developed fiber has been fabricated and photodarkening-free operation with output power of 10.6 W, which is the record high for all-fiber laser schemes, has been demonstrated.

  3. Saddle-shaped reticulate Nummulites from Early Oligocene rocks of Khari area, SW Kutch, India

    NASA Astrophysics Data System (ADS)

    Sengupta, S.; Sarkar, Sampa; Mukhopadhyay, S.

    2011-04-01

    Saddle-shaped reticulate Nummulites from the Early Oligocene rocks of Khari area, SW Kutch, India is reported here for the first time. Unusual shape of this Nummulites is due to the curved nature of the coiling plane, indicating space constrained postembryonic test growth. With regular development of chambers, septa and septal filaments, the saddle-shaped Nummulites constitutes the third morphotype of N. cf. fichteli Michelotti form A. Other morphotypes of the species reported earlier include inflated lenticular and conical tests. Multiple morphotypes of N. cf. fichteli form A indicates varied test growth in response to substrate conditions. Morphological variability exhibited by N. cf. fichteli form A from Kutch and some Early Oligocene reticulate Nummulites from the Far East are comparable. This faunal suite is morphologically distinct from the contemporary reticulate Nummulites of the European localities.

  4. Use of scaled external correlation, a double many-body expansion, and variational transition state theory to calibrate a potential energy surface for FH2

    NASA Technical Reports Server (NTRS)

    Lynch, Gillian C.; Steckler, Rozeanne; Varandas, Antonio J. C.; Truhlar, Donald G.; Schwenke, David W.

    1991-01-01

    New ab initio results and a double many-body expansion formalism have been used to parameterize a new FH2 potential energy surface with improved properties near the saddle point and in the region of long-range attraction. The functional form of the new surface includes dispersion forces by a double many-body expansion. Stationary point properties for the new surface are calculated along with the product-valley barrier maxima of vibrationally adiabatic potential curves for F + H2 - HF(nu-prime = 3) + H, F + HD - HF(nu-prime = 3) + D, and F + D2 - DF(nu-prime = 4) + D. The new surface should prove useful for studying the effect on dynamics of a low, early barrier with a wide, flat bend potential.

  5. Crossing the quasi-threshold manifold of a noise-driven excitable system

    PubMed Central

    Zhu, Jinjie; Liu, Xianbin

    2017-01-01

    We consider the noise-induced escapes in an excitable system possessing a quasi-threshold manifold, along which there exists a certain point of minimal quasi-potential. In the weak noise limit, the optimal escaping path turns out to approach this particular point asymptotically, making it analogous to an ordinary saddle. Numerical simulations are performed and an elaboration on the effect of small but finite noise is given, which shows that the ridges where the prehistory probability distribution peaks are located mainly within the region where the quasi-potential increases gently. The cases allowing anisotropic noise are discussed and we found that varying the noise term in the slow variable would dramatically raise the whole level of quasi-potentials, leading to significant changes in both patterns of optimal paths and exit locations. PMID:28588411

  6. Electronic Structure Theory Study of the Microsolvated F(-)(H2O) + CH3I SN2 Reaction.

    PubMed

    Zhang, Jiaxu; Yang, Li; Sheng, Li

    2016-05-26

    The potential energy profile of microhydrated fluorine ion reaction with methyl iodine has been characterized by extensive electronic structure calculations. Both hydrogen-bonded F(-)(H2O)---HCH2I and ion-dipole F(-)(H2O)---CH3I complexes are formed for the reaction entrance and the PES in vicinity of these complexes is very flat, which may have important implications for the reaction dynamics. The water molecule remains on the fluorine side until the reactive system goes to the SN2 saddle point. It can easily move to the iodine side with little barrier, but in a nonsynchronous reaction path after the dynamical bottleneck to the reaction, which supports the previous prediction for microsolvated SN2 systems. The influence of solvating water molecule on the reaction mechanism is probed by comparing with the influence of the nonsolvated analogue and other microsolvated SN2 systems. Taking the CCSD(T) single-point calculations based on MP2-optimized geometries as benchmark, the DFT functionals B97-1 and B3LYP are found to better characterize the potential energy profile for the title reaction and are recommended as the preferred methods for the direct dynamics simulations to uncover the dynamic behaviors.

  7. Exposure and Experience: Additional Criteria for Selecting Future Operational Theater Commanders

    DTIC Science & Technology

    2009-10-23

    American Civil War, WWII and today ‟s conflict. However, for the scope of this paper, a pattern clearly emerges between service in direct observation of...Kaufmann. From Plato to Derrida . Upper Saddle River, New Jersey: Pearson Prentice Hall, 2008. 8 Experience Comparison of Former...Forrest E., and Walter Kaufmann. From Plato to Derrida . Upper Saddle River, New Jersey: Pearson Prentice Hall, 2008. Bell, William Gardner. Center

  8. The Software Maintenance Spectrum: Using More than Just New Toys

    DTIC Science & Technology

    2000-04-01

    Deitel & Deitel, How to Program Java, Prentice Hall, Upper Saddle River, NJ, 1998. Bjarne Stroustrup, The C++ Programming Language, ATT Bell Labs, New... to Program Java, Prentice Hall, Upper Saddle River, NJ, 1998. Dershem, Herbert L and Michael J. Jipping, Programming Languages: Structures and Models...Chikofsky, Elliot and James Cross. Reverse Engineering and Design Recovery: A Taxonomy. IEEE Software, 7(1):13-17 (Jan 1990). Deitel & Deitel, How

  9. 75 FR 66083 - Iron Mask Hydro, LLC; Notice of Preliminary Permit Application Accepted for Filing and Soliciting...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-10-27

    ... following: (1) A 225-foot- high, 1,795-foot-long upper dam made of either zoned earth and rockfill or concrete-face earth and rockfill; (2) a 50-foot-high, 950-foot-long earth-filled upper saddle dike A; (3) a 20-foot-high, 400-foot-long earth-filled upper saddle dike B; (4) a 40-foot-high, 6,559-foot-long...

  10. 75 FR 53963 - Iron Mask Hydro, LLC; Notice of Preliminary Permit Application Accepted for Filing and Soliciting...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-09-02

    ...-long upper dam made of either zoned earth and rockfill or concrete-face earth and rockfill; (2) a 50-foot-high, 950-foot-long earth-filled upper saddle dike A; (3) a 20-foot-high, 400-foot-long earth-filled upper saddle dike B; (4) a 40-foot-high, 6,559-foot-long lower embankment made of zoned earth or...

  11. MIT-Skywalker: considerations on the Design of a Body Weight Support System.

    PubMed

    Gonçalves, Rogério Sales; Krebs, Hermano Igo

    2017-09-06

    To provide body weight support during walking and balance training, one can employ two distinct embodiments: support through a harness hanging from an overhead system or support through a saddle/seat type. This paper presents a comparison of these two approaches. Ultimately, this comparison determined our selection of the body weight support system employed in the MIT-Skywalker, a robotic device developed for the rehabilitation/habilitation of gait and balance after a neurological injury. Here we will summarize our results with eight healthy subjects walking on the treadmill without any support, with 30% unloading supported by a harness hanging from an overhead system, and with a saddle/seat-like support system. We compared the center of mass as well as vertical and mediolateral trunk displacements across different walking speeds and support. The bicycle/saddle system had the highest values for the mediolateral inclination, while the overhead harness body weight support showed the lowest values at all speeds. The differences were statistically significant. We selected the bicycle/saddle system for the MIT-Skywalker. It allows faster don-and-doff, better centers the patient to the split treadmill, and allows all forms of training. The overhead harness body weight support might be adequate for rhythmic walking training but limits any potential for balance training.

  12. Application of a Saddle-Type Eddy Current Sensor in Steel Ball Surface-Defect Inspection

    PubMed Central

    Zhong, Mingming; Xie, Fengqin; Cao, Maoyong

    2017-01-01

    Steel ball surface-defect inspection was performed by using a new saddle-type eddy current sensor (SECS), which included a saddle coil and a signal conditioning circuit. The saddle coil was directly wound on the steel ball’s outer bracket in a semi-circumferential direction. Driven by a friction wheel, the test steel ball rotated in a one-dimensional direction, such that the steel ball surface was fully scanned by the SECS. There were two purposes for using the SECS in the steel ball inspection system: one was to reduce the complexity of the unfolding wheel of the surface deployment mechanism, and the other was to reduce the difficulty of sensor processing and installation. Experiments were carried out on bearing steel balls in diameter of 8 mm with three types of representative and typical defects by using the SECS, and the results showed that the inspection system can detect surface defects as small as 0.05 mm in width and 0.1 mm in depth with high-repetition detection accuracy, and the detection efficiency of 5 pcs/s, which meet the requirement for inspecting ISO grade 10 bearing steel balls. The feasibility of detecting steel ball surface defects by SECS was verified. PMID:29206154

  13. Reliable Transition State Searches Integrated with the Growing String Method.

    PubMed

    Zimmerman, Paul

    2013-07-09

    The growing string method (GSM) is highly useful for locating reaction paths connecting two molecular intermediates. GSM has often been used in a two-step procedure to locate exact transition states (TS), where GSM creates a quality initial structure for a local TS search. This procedure and others like it, however, do not always converge to the desired transition state because the local search is sensitive to the quality of the initial guess. This article describes an integrated technique for simultaneous reaction path and exact transition state search. This is achieved by implementing an eigenvector following optimization algorithm in internal coordinates with Hessian update techniques. After partial convergence of the string, an exact saddle point search begins under the constraint that the maximized eigenmode of the TS node Hessian has significant overlap with the string tangent near the TS. Subsequent optimization maintains connectivity of the string to the TS as well as locks in the TS direction, all but eliminating the possibility that the local search leads to the wrong TS. To verify the robustness of this approach, reaction paths and TSs are found for a benchmark set of more than 100 elementary reactions.

  14. The instanton method and its numerical implementation in fluid mechanics

    NASA Astrophysics Data System (ADS)

    Grafke, Tobias; Grauer, Rainer; Schäfer, Tobias

    2015-08-01

    A precise characterization of structures occurring in turbulent fluid flows at high Reynolds numbers is one of the last open problems of classical physics. In this review we discuss recent developments related to the application of instanton methods to turbulence. Instantons are saddle point configurations of the underlying path integrals. They are equivalent to minimizers of the related Freidlin-Wentzell action and known to be able to characterize rare events in such systems. While there is an impressive body of work concerning their analytical description, this review focuses on the question on how to compute these minimizers numerically. In a short introduction we present the relevant mathematical and physical background before we discuss the stochastic Burgers equation in detail. We present algorithms to compute instantons numerically by an efficient solution of the corresponding Euler-Lagrange equations. A second focus is the discussion of a recently developed numerical filtering technique that allows to extract instantons from direct numerical simulations. In the following we present modifications of the algorithms to make them efficient when applied to two- or three-dimensional (2D or 3D) fluid dynamical problems. We illustrate these ideas using the 2D Burgers equation and the 3D Navier-Stokes equations.

  15. A Hybrid Monte Carlo importance sampling of rare events in Turbulence and in Turbulent Models

    NASA Astrophysics Data System (ADS)

    Margazoglou, Georgios; Biferale, Luca; Grauer, Rainer; Jansen, Karl; Mesterhazy, David; Rosenow, Tillmann; Tripiccione, Raffaele

    2017-11-01

    Extreme and rare events is a challenging topic in the field of turbulence. Trying to investigate those instances through the use of traditional numerical tools turns to be a notorious task, as they fail to systematically sample the fluctuations around them. On the other hand, we propose that an importance sampling Monte Carlo method can selectively highlight extreme events in remote areas of the phase space and induce their occurrence. We present a brand new computational approach, based on the path integral formulation of stochastic dynamics, and employ an accelerated Hybrid Monte Carlo (HMC) algorithm for this purpose. Through the paradigm of stochastic one-dimensional Burgers' equation, subjected to a random noise that is white-in-time and power-law correlated in Fourier space, we will prove our concept and benchmark our results with standard CFD methods. Furthermore, we will present our first results of constrained sampling around saddle-point instanton configurations (optimal fluctuations). The research leading to these results has received funding from the EU Horizon 2020 research and innovation programme under Grant Agreement No. 642069, and from the EU Seventh Framework Programme (FP7/2007-2013) under ERC Grant Agreement No. 339032.

  16. The Effects of Hydrogen on the Potential-Energy Surface of Amorphous Silicon

    NASA Astrophysics Data System (ADS)

    Joly, Jean-Francois; Mousseau, Normand

    2012-02-01

    Hydrogenated amorphous silicon (a-Si:H) is an important semiconducting material used in many applications from solar cells to transistors. In 2010, Houssem et al. [1], using the open-ended saddle-point search method, ART nouveau, studied the characteristics of the potential energy landscape of a-Si as a function of relaxation. Here, we extend this study and follow the impact of hydrogen doping on the same a-Si models as a function of doping level. Hydrogen atoms are first attached to dangling bonds, then are positioned to relieve strained bonds of fivefold coordinated silicon atoms. Once these sites are saturated, further doping is achieved with a Monte-Carlo bond switching method that preserves coordination and reduces stress [2]. Bonded interactions are described with a modified Stillinger-Weber potential and non-bonded Si-H and H-H interactions with an adapted Slater-Buckingham potential. Large series of ART nouveau searches are initiated on each model, resulting in an extended catalogue of events that characterize the evolution of potential energy surface as a function of H-doping. [4pt] [1] Houssem et al., Phys Rev. Lett., 105, 045503 (2010)[0pt] [2] Mousseau et al., Phys Rev. B, 41, 3702 (1990)

  17. Reaching extended length-scales with accelerated dynamics

    NASA Astrophysics Data System (ADS)

    Hubartt, Bradley; Shim, Yunsic; Amar, Jacques

    2012-02-01

    While temperature-accelerated dynamics (TAD) has been quite successful in extending the time-scales for non-equilibrium simulations of small systems, the computational time increases rapidly with system size. One possible solution to this problem, which we refer to as parTAD^1 is to use spatial decomposition combined with our previously developed semi-rigorous synchronous sublattice algorithm^2. However, while such an approach leads to significantly better scaling as a function of system-size, it also artificially limits the size of activated events and is not completely rigorous. Here we discuss progress we have made in developing an alternative approach in which localized saddle-point searches are combined with parallel GPU-based molecular dynamics in order to improve the scaling behavior. By using this method, along with the use of an adaptive method to determine the optimal high-temperature^3, we have been able to significantly increase the range of time- and length-scales over which accelerated dynamics simulations may be carried out. [1] Y. Shim et al, Phys. Rev. B 76, 205439 (2007); ibid, Phys. Rev. Lett. 101, 116101 (2008). [2] Y. Shim and J.G. Amar, Phys. Rev. B 71, 125432 (2005). [3] Y. Shim and J.G. Amar, J. Chem. Phys. 134, 054127 (2011).

  18. A continuous scale-space method for the automated placement of spot heights on maps

    NASA Astrophysics Data System (ADS)

    Rocca, Luigi; Jenny, Bernhard; Puppo, Enrico

    2017-12-01

    Spot heights and soundings explicitly indicate terrain elevation on cartographic maps. Cartographers have developed design principles for the manual selection, placement, labeling, and generalization of spot height locations, but these processes are work-intensive and expensive. Finding an algorithmic criterion that matches the cartographers' judgment in ranking the significance of features on a terrain is a difficult endeavor. This article proposes a method for the automated selection of spot heights locations representing natural features such as peaks, saddles and depressions. A lifespan of critical points in a continuous scale-space model is employed as the main measure of the importance of features, and an algorithm and a data structure for its computation are described. We also introduce a method for the comparison of algorithmically computed spot height locations with manually produced reference compilations. The new method is compared with two known techniques from the literature. Results show spot height locations that are closer to reference spot heights produced manually by swisstopo cartographers, compared to previous techniques. The introduced method can be applied to elevation models for the creation of topographic and bathymetric maps. It also ranks the importance of extracted spot height locations, which allows for a variation in the size of symbols and labels according to the significance of represented features. The importance ranking could also be useful for adjusting spot height density of zoomable maps in real time.

  19. Self-Diffusion of small Ag and Ni islands on Ag(111) and Ni(111) using the self-learning kinetic Monte Carlo method

    NASA Astrophysics Data System (ADS)

    Islamuddin Shah, Syed; Nandipati, Giridhar; Kara, Abdelkader; Rahman, Talat S.

    2012-02-01

    We have applied a modified Self-Learning Kinetic Monte Carlo (SLKMC) method [1] to examine the self-diffusion of small Ag and Ni islands, containing up to 10 atom, on the (111) surface of the respective metal. The pattern recognition scheme in this new SLKMC method allows occupancy of the fcc, hcp and top sites on the fcc(111) surface and employs them to identify the local neighborhood around a central atom. Molecular static calculations with semi empirical interatomic potential and reliable techniques for saddle point search revealed several new diffusion mechanisms that contribute to the diffusion of small islands. For comparison we have also evaluated the diffusion characteristics of Cu clusters on Cu(111) and compared results with previous findings [2]. Our results show a linear increase in effective energy barriers scaling almost as 0.043, 0.051 and 0.064 eV/atom for the Cu/Cu(111), Ag/Ag(111), and Ni/Ni(111) systems, respectively. For all three systems, diffusion of small islands proceeds mainly through concerted motion, although several multiple and single atom processes also contribute. [1] Oleg Trushin et al. Phys. Rev. B 72, 115401 (2005) [2] Altaf Karim et al. Phys. Rev. B 73, 165411 (2006)

  20. Cryogenic thermometry for refrigerant distribution system of JT-60SA

    NASA Astrophysics Data System (ADS)

    Natsume, K.; Murakami, H.; Kizu, K.; Yoshida, K.; Koide, Y.

    2015-12-01

    JT-60SA is a fully superconducting fusion experimental device involving Japan and Europe. The cryogenic system supplies supercritical or gaseous helium to superconducting coils through valve boxes or coil terminal boxes and in-cryostat pipes. There are 86 temperature measurement points at 4 K along the distribution line. Resistance temperature sensors will be installed on cooling pipes in vacuum. In this work, two sensor attachment methods, two types of sensor, two thermal anchoring methods, and two sensor fixation materials have been experimentally evaluated in terms of accuracy and mass productivity. Finally, the verification test of thermometry has been conducted using the sample pipe fabricated in the same way to the production version, which has been decided by the comparison experiments. The TVO sensor is attached by the saddle method with Apiezon N grease and the measurement wires made of phosphor bronze are wound on the pipe with Stycast 2850FT as the thermal anchoring. A Cernox sensor is directly immersed in liquid helium as a reference thermometer during the experiment. The measured temperature difference between the attached one and reference one has been within ±15 mK in the range of 3.40-4.73 K. It has satisfies the accuracy requirement of 0.1 K.

  1. Field-theoretical approach to a dense polymer with an ideal binary mixture of clustering centers.

    PubMed

    Fantoni, Riccardo; Müller-Nedebock, Kristian K

    2011-07-01

    We propose a field-theoretical approach to a polymer system immersed in an ideal mixture of clustering centers. The system contains several species of these clustering centers with different functionality, each of which connects a fixed number segments of the chain to each other. The field theory is solved using the saddle point approximation and evaluated for dense polymer melts using the random phase approximation. We find a short-ranged effective intersegment interaction with strength dependent on the average segment density and discuss the structure factor within this approximation. We also determine the fractions of linkers of the different functionalities.

  2. Revisiting the Langer-Ambegaokar-McCumber-Halperin theory of resistive transitions in one-dimensional superconductors with exact solutions.

    PubMed

    Joshi, Darshan G; Bhattacharyay, A

    2011-08-31

    We present an important correction to the Langer-Ambegaokar-McCumber-Halperin theory for the resistive state of a 1D superconductor. We establish that the identification of the saddle on the free energy surface over which Langer and Ambegaokar had claimed the system to move in order to form thermally excited phase slip centres is wrong. With the help of an exact solution we show that the system has to overcome a similar free energy barrier but can actually have vanishing amplitude of the superconducting phase at a point, unlike the Langer-Ambegaokar solution.

  3. Critique of Coleman's Theory of the Vanishing Cosmological Constant

    NASA Astrophysics Data System (ADS)

    Susskind, Leonard

    In these lectures I would like to review some of the criticisms to the Coleman worm-hole theory of the vanishing cosmological constant. In particular, I would like to focus on the most fundamental assumption that the path integral over topologies defines a probability for the cosmological constant which has the form EXP(A) with A being the Baum-Hawking-Coleman saddle point. Coleman argues that the euclideam path integral over all geometries may be dominated by special configurations which consist of large smooth "spheres" connected by any number of narrow wormholes. Formally summing up such configurations gives a very divergent expression for the path integral…

  4. Radially separated classical lumps in non-Abelian gauge models

    NASA Astrophysics Data System (ADS)

    Burzlaff, Jürgen

    1985-04-01

    We search for smooth and time-independent finite-energy solutions to Yang-Mills-Higgs theory with an arbitrary compact gauge group. Excluding the monopole solutions which have been studied before, we concentrate on configurations with no long-range fields, which include the saddle points corresponding to noncontractible (hyper-) loops. It is shown that if the radial dependence of the fields is factorized, only one solution satisfies all these conditions. This solution is the one which has been studied before by Dashen, Hasslacher, and Neveu and by Boguta, and whose existence has recently been proved rigorously. Formulas for the asymptotic behavior of this solution are given.

  5. Variational transition state theory for multidimensional activated rate processes in the presence of anisotropic friction

    NASA Astrophysics Data System (ADS)

    Berezhkovskii, Alexander M.; Frishman, Anatoli M.; Pollak, Eli

    1994-09-01

    Variational transition state theory (VTST) is applied to the study of the activated escape of a particle trapped in a multidimensional potential well and coupled to a heat bath. Special attention is given to the dependence of the rate constant on the friction coefficients in the case of anisotropic friction. It is demonstrated explicitly that both the traditional as well as the nontraditional scenarios for the particle escape are recovered uniformly within the framework of VTST. Effects such as saddle point avoidance and friction dependence of the activation energy are derived from VTST using optimized planar dividing surfaces.

  6. Specific heat and Knight shift of cuprates within the van Hove scenario

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sarkar, S.; Das, A.N.

    1996-12-01

    The jump in the specific heat at {ital T}{sub {ital c}}, the specific heat in both the superconducting and normal states, and the Knight shift in the superconducting state are studied within the van Hove singularity scenario considering density of states for a two-dimensional tight-binding system and with an extended saddle-point singularity. The role of the electron-phonon interaction strength, band narrowing, second-nearest-neighbor hopping, and orthorhombic distortion on such properties is investigated. The experimental results on the specific heat and Knight shift of the Y-123 system are compared with the theoretical predictions. {copyright} {ital 1996 The American Physical Society.}

  7. Updating the TSP Quality Plan Using Monte Carlo Simulation

    DTIC Science & Technology

    2010-08-01

    TSP is the attention to quality or, more accurately, the ability to manage product defects. In fact, TSP creator Watts S . Humphrey says: ... defect...teams at Hill AFB recently started using this technique and are still gathering data on its useful- ness.u References 1. Humphrey , Watts S . TSP...Leading a Development Team. Upper Saddle River, NJ: Addison-Wesley, 2006. Page 138. 2. Humphrey , Watts S . TSP – Leading a Development Team. Upper Saddle

  8. Lagrangian coherent structures at the onset of hyperchaos in the two-dimensional Navier-Stokes equations.

    PubMed

    Miranda, Rodrigo A; Rempel, Erico L; Chian, Abraham C-L; Seehafer, Norbert; Toledo, Benjamin A; Muñoz, Pablo R

    2013-09-01

    We study a transition to hyperchaos in the two-dimensional incompressible Navier-Stokes equations with periodic boundary conditions and an external forcing term. Bifurcation diagrams are constructed by varying the Reynolds number, and a transition to hyperchaos (HC) is identified. Before the onset of HC, there is coexistence of two chaotic attractors and a hyperchaotic saddle. After the transition to HC, the two chaotic attractors merge with the hyperchaotic saddle, generating random switching between chaos and hyperchaos, which is responsible for intermittent bursts in the time series of energy and enstrophy. The chaotic mixing properties of the flow are characterized by detecting Lagrangian coherent structures. After the transition to HC, the flow displays complex Lagrangian patterns and an increase in the level of Lagrangian chaoticity during the bursty periods that can be predicted statistically by the hyperchaotic saddle prior to HC transition.

  9. Surface plasma source with saddle antenna radio frequency plasma generator.

    PubMed

    Dudnikov, V; Johnson, R P; Murray, S; Pennisi, T; Piller, C; Santana, M; Stockli, M; Welton, R

    2012-02-01

    A prototype RF H(-) surface plasma source (SPS) with saddle (SA) RF antenna is developed which will provide better power efficiency for high pulsed and average current, higher brightness with longer lifetime and higher reliability. Several versions of new plasma generators with small AlN discharge chambers and different antennas and magnetic field configurations were tested in the plasma source test stand. A prototype SA SPS was installed in the Spallation Neutron Source (SNS) ion source test stand with a larger, normal-sized SNS AlN chamber that achieved unanalyzed peak currents of up to 67 mA with an apparent efficiency up to 1.6 mA∕kW. Control experiments with H(-) beam produced by SNS SPS with internal and external antennas were conducted. A new version of the RF triggering plasma gun has been designed. A saddle antenna SPS with water cooling is fabricated for high duty factor testing.

  10. Nudged elastic band method and density functional theory calculation for finding a local minimum energy pathway of p-benzoquinone and phenol fragmentation in mass spectrometry.

    PubMed

    Sugimura, Natsuhiko; Igarashi, Yoko; Aoyama, Reiko; Shibue, Toshimichi

    2017-02-01

    Analysis of the fragmentation pathways of molecules in mass spectrometry gives a fundamental insight into gas-phase ion chemistry. However, the conventional intrinsic reaction coordinates method requires knowledge of the transition states of ion structures in the fragmentation pathways. Herein, we use the nudged elastic band method, using only the initial and final state ion structures in the fragmentation pathways, and report the advantages and limitations of the method. We found a minimum energy path of p-benzoquinone ion fragmentation with two saddle points and one intermediate structure. The primary energy barrier, which corresponded to the cleavage of the C-C bond adjacent to the CO group, was calculated to be 1.50 eV. An additional energy barrier, which corresponded to the cleavage of the CO group, was calculated to be 0.68 eV. We also found an energy barrier of 3.00 eV, which was the rate determining step of the keto-enol tautomerization in CO elimination from the molecular ion of phenol. The nudged elastic band method allowed the determination of a minimum energy path using only the initial and final state ion structures in the fragmentation pathways, and it provided faster than the conventional intrinsic reaction coordinates method. In addition, this method was found to be effective in the analysis of the charge structures of the molecules during the fragmentation in mass spectrometry.

  11. Enlisting Madison Avenue: The Marketing Approach to Earning Popular Support in Theaters of Operation

    DTIC Science & Technology

    2007-01-01

    equivalent size: 7 Philip Kotler and Gary Armstrong, Principles of Marketing, 11th ed., Upper Saddle River, N.J.: Pearson Education, 2006, p. 196. 8...researchers Philip Kotler , Ned Roberto, and Nancy Lee.146 To illus- trate the application of these steps in an operational theater, we utilize a...2003, p. 18. Kotler , Philip , and Gary Armstrong, Principles of Marketing, 11th ed., Upper Saddle River, N.J.: Pearson Education, 2006. 200

  12. Provenance of Cretaceous-Pliocene Clastic Sediments in the Tachira Saddle, Western Venezuela, and Implications for Sediment Dispersal Patterns in the Northern Andes

    NASA Astrophysics Data System (ADS)

    Gomez, Ali Ricardo

    Northwestern South America is highly deformed due to the transpressive plate boundary associated with complex interactions between the Caribbean plate, the South American plate, the Nazca plate and the Panama arc. Previous studies suggest that the Cenozoic uplift of the Merida Andes and Eastern Cordillera of Colombia affected sediment dispersal patterns in the region, shifting from a Paleocene foreland basin configuration to the modern isolated basins. Well-exposed Cretaceous to Pliocene strata in the Tachira Saddle provides a unique opportunity to test proposed sediment dispersal patterns in the region. U-Pb detrital zircon geochronology and supplementary XRD heavy mineral data are used together to document the provenance of the Tachira Saddle sediments and refine the sediment dispersal patterns in the region. Results from the U-Pb detrital zircon geochronology show that there are six age groups recorded in these samples. Two groups are related to the Precambrian Guyana shield terranes and Putumayo basement in the Eastern Cordillera, and four groups are related to different magmatic episodes occurring during the Andean orogenic process. The transition between the Cretaceous passive margin and the Paleocene foreland basin and the initial uplift of the Eastern Cordillera and the uplift of the Merida Andes by the Early Miocene were also recorded in the Tachira saddle detrital zircon signature.

  13. High-energy zero-norm states and symmetries of string theory.

    PubMed

    Chan, Chuan-Tsung; Ho, Pei-Ming; Lee, Jen-Chi; Teraguchi, Shunsuke; Yang, Yi

    2006-05-05

    High-energy limit of zero-norm states in the old covariant first quantized spectrum of the 26D open bosonic string, together with the assumption of a smooth behavior of string theory in this limit, are used to derive infinitely many linear relations among the leading high-energy, fixed-angle behavior of four-point functions of different string states. As a result, ratios among all high-energy scattering amplitudes of four arbitrary string states can be calculated algebraically and the leading order amplitudes can be expressed in terms of that of four tachyons as conjectured by Gross in 1988. A dual calculation can also be performed and equivalent results are obtained by taking the high-energy limit of Virasoro constraints. Finally, we compute all high-energy scattering amplitudes of three tachyons and one massive state at the leading order by saddle-point approximation to verify our results.

  14. Unveiling Extreme Anisotropy in Elastic Structured Media

    NASA Astrophysics Data System (ADS)

    Lefebvre, G.; Antonakakis, T.; Achaoui, Y.; Craster, R. V.; Guenneau, S.; Sebbah, P.

    2017-06-01

    Periodic structures can be engineered to exhibit unique properties observed at symmetry points, such as zero group velocity, Dirac cones, and saddle points; identifying these and the nature of the associated modes from a direct reading of the dispersion surfaces is not straightforward, especially in three dimensions or at high frequencies when several dispersion surfaces fold back in the Brillouin zone. A recently proposed asymptotic high-frequency homogenization theory is applied to a challenging time-domain experiment with elastic waves in a pinned metallic plate. The prediction of a narrow high-frequency spectral region where the effective medium tensor dramatically switches from positive definite to indefinite is confirmed experimentally; a small frequency shift of the pulse carrier results in two distinct types of highly anisotropic modes. The underlying effective equation mirrors this behavior with a change in form from elliptic to hyperbolic exemplifying the high degree of wave control available and the importance of a simple and effective predictive model.

  15. Qualitative analysis of certain generalized classes of quadratic oscillator systems

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bagchi, Bijan, E-mail: bbagchi123@gmail.com; Ghosh, Samiran, E-mail: sran-g@yahoo.com; Pal, Barnali, E-mail: barrna.roo@gmail.com

    2016-02-15

    We carry out a systematic qualitative analysis of the two quadratic schemes of generalized oscillators recently proposed by Quesne [J. Math. Phys. 56, 012903 (2015)]. By performing a local analysis of the governing potentials, we demonstrate that while the first potential admits a pair of equilibrium points one of which is typically a center for both signs of the coupling strength λ, the other points to a centre for λ < 0 but a saddle λ > 0. On the other hand, the second potential reveals only a center for both the signs of λ from a linear stability analysis.more » We carry out our study by extending Quesne’s scheme to include the effects of a linear dissipative term. An important outcome is that we run into a remarkable transition to chaos in the presence of a periodic force term fcosωt.« less

  16. Wake-sleep transition as a noisy bifurcation

    NASA Astrophysics Data System (ADS)

    Yang, Dong-Ping; McKenzie-Sell, Lauren; Karanjai, Angela; Robinson, P. A.

    2016-08-01

    A recent physiologically based model of the ascending arousal system is used to analyze the dynamics near the transition from wake to sleep, which corresponds to a saddle-node bifurcation at a critical point. A normal form is derived by approximating the dynamics by those of a particle in a parabolic potential well with dissipation. This mechanical analog is used to calculate the power spectrum of fluctuations in response to a white noise drive, and the scalings of fluctuation variance and spectral width are derived versus distance from the critical point. The predicted scalings are quantitatively confirmed by numerical simulations, which show that the variance increases and the spectrum undergoes critical slowing, both in accord with theory. These signals can thus serve as potential precursors to indicate imminent wake-sleep transition, with potential application to safety-critical occupations in transport, air-traffic control, medicine, and heavy industry.

  17. Inflation with a graceful exit in a random landscape

    NASA Astrophysics Data System (ADS)

    Pedro, F. G.; Westphal, A.

    2017-03-01

    We develop a stochastic description of small-field inflationary histories with a graceful exit in a random potential whose Hessian is a Gaussian random matrix as a model of the unstructured part of the string landscape. The dynamical evolution in such a random potential from a small-field inflation region towards a viable late-time de Sitter (dS) minimum maps to the dynamics of Dyson Brownian motion describing the relaxation of non-equilibrium eigenvalue spectra in random matrix theory. We analytically compute the relaxation probability in a saddle point approximation of the partition function of the eigenvalue distribution of the Wigner ensemble describing the mass matrices of the critical points. When applied to small-field inflation in the landscape, this leads to an exponentially strong bias against small-field ranges and an upper bound N ≪ 10 on the number of light fields N participating during inflation from the non-observation of negative spatial curvature.

  18. Statistical study of conductance properties in one-dimensional quantum wires focusing on the 0.7 anomaly

    NASA Astrophysics Data System (ADS)

    Smith, L. W.; Al-Taie, H.; Sfigakis, F.; See, P.; Lesage, A. A. J.; Xu, B.; Griffiths, J. P.; Beere, H. E.; Jones, G. A. C.; Ritchie, D. A.; Kelly, M. J.; Smith, C. G.

    2014-07-01

    The properties of conductance in one-dimensional (1D) quantum wires are statistically investigated using an array of 256 lithographically identical split gates, fabricated on a GaAs/AlGaAs heterostructure. All the split gates are measured during a single cooldown under the same conditions. Electron many-body effects give rise to an anomalous feature in the conductance of a one-dimensional quantum wire, known as the "0.7 structure" (or "0.7 anomaly"). To handle the large data set, a method of automatically estimating the conductance value of the 0.7 structure is developed. Large differences are observed in the strength and value of the 0.7 structure [from 0.63 to 0.84×(2e2/h)], despite the constant temperature and identical device design. Variations in the 1D potential profile are quantified by estimating the curvature of the barrier in the direction of electron transport, following a saddle-point model. The 0.7 structure appears to be highly sensitive to the specific confining potential within individual devices.

  19. The dynamics of a harvested predator-prey system with Holling type IV functional response.

    PubMed

    Liu, Xinxin; Huang, Qingdao

    2018-05-31

    The paper aims to investigate the dynamical behavior of a predator-prey system with Holling type IV functional response in which both the species are subject to capturing. We mainly consider how the harvesting affects equilibria, stability, limit cycles and bifurcations in this system. We adopt the method of qualitative and quantitative analysis, which is based on the dynamical theory, bifurcation theory and numerical simulation. The boundedness of solutions, the existence and stability of equilibrium points of the system are further studied. Based on the Sotomayor's theorem, the existence of transcritical bifurcation and saddle-node bifurcation are derived. We use the normal form theorem to analyze the Hopf bifurcation. Simulation results show that the first Lyapunov coefficient is negative and a stable limit cycle may bifurcate. Numerical simulations are performed to make analytical studies more complete. This work illustrates that using the harvesting effort as control parameter can change the behaviors of the system, which may be useful for the biological management. Copyright © 2018 Elsevier B.V. All rights reserved.

  20. Jet Interactions in a Feedback-Free Fluidic Oscillator in the Transition Region

    NASA Astrophysics Data System (ADS)

    Tomac, Mehmet; Gregory, James

    2013-11-01

    The details of the jet interactions and oscillation mechanism of a feedback-free type fluidic oscillator are studied in this work. Flow rate-frequency measurements indicate the existence of three distinct operating regimes: low flow rate, transition, and high flow rate regions. This study presents results from the transition regime, extracted by using refractive index-matched particle image velocimetry (PIV). A newly-developed sensor configuration for frequency measurements in the refractive index-matched fluid and a phase-averaging method that minimizes jitter will be discussed. Experimental results indicate that the interactions of the two jets create three main vortices in the mixing chamber. One vortex vanishes and forms depending on the oscillation phase and plays a key role in the oscillation mechanism. The other two vortices sustain their existence throughout the oscillation cycle; however, both continuously change their size and strength. The resulting complex flow field with self-sustained oscillations is a result of the combination of many interesting phenomena such as jet interactions and bifurcations, viscous effects, vortex-shear layer interactions, vortex-wall interactions, instabilities, and saddle point creations.

  1. Lagrangian descriptors of driven chemical reaction manifolds.

    PubMed

    Craven, Galen T; Junginger, Andrej; Hernandez, Rigoberto

    2017-08-01

    The persistence of a transition state structure in systems driven by time-dependent environments allows the application of modern reaction rate theories to solution-phase and nonequilibrium chemical reactions. However, identifying this structure is problematic in driven systems and has been limited by theories built on series expansion about a saddle point. Recently, it has been shown that to obtain formally exact rates for reactions in thermal environments, a transition state trajectory must be constructed. Here, using optimized Lagrangian descriptors [G. T. Craven and R. Hernandez, Phys. Rev. Lett. 115, 148301 (2015)PRLTAO0031-900710.1103/PhysRevLett.115.148301], we obtain this so-called distinguished trajectory and the associated moving reaction manifolds on model energy surfaces subject to various driving and dissipative conditions. In particular, we demonstrate that this is exact for harmonic barriers in one dimension and this verification gives impetus to the application of Lagrangian descriptor-based methods in diverse classes of chemical reactions. The development of these objects is paramount in the theory of reaction dynamics as the transition state structure and its underlying network of manifolds directly dictate reactivity and selectivity.

  2. Validating Laser-Induced Birefringence Theory with Plasma Interferometry

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chen, Cecilia; Cornell Univ., Ithaca, NY

    2015-09-02

    Intense laser beams crossing paths in plasma is theorized to induce birefringence in the medium, resulting from density and refractive index modulations that affect the polarization of incoming light. The goal of the associated experiment, conducted on Janus at Lawrence Livermore’s Jupiter Laser Facility, was to create a tunable laser-plasma waveplate to verify the relationship between dephasing angle and beam intensity, plasma density, plasma temperature, and interaction length. Interferometry analysis of the plasma channel was performed to obtain a density map and to constrain temperature measured from Thomson scattering. Various analysis techniques, including Fast Fourier transform (FFT) and two variationsmore » of fringe-counting, were tried because interferograms captured in this experiment contained unusual features such as fringe discontinuity at channel edges, saddle points, and islands. The chosen method is flexible, semi-automated, and uses a fringe tracking algorithm on a reduced image of pre-traced synthetic fringes. Ultimately, a maximum dephasing angle of 49.6° was achieved using a 1200 μm interaction length, and the experimental results appear to agree with predictions.« less

  3. Active shielding of cylindrical saddle-shaped coils: application to wire-wound RF coils for very low field NMR and MRI.

    PubMed

    Bidinosti, C P; Kravchuk, I S; Hayden, M E

    2005-11-01

    We provide an exact expression for the magnetic field produced by cylindrical saddle-shaped coils and their ideal shield currents in the low-frequency limit. The stream function associated with the shield surface current is also determined. The results of the analysis are useful for the design of actively shielded radio-frequency (RF) coils. Examples pertinent to very low field nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI) are presented and discussed.

  4. Critical points of the cosmic velocity field and the uncertainties in the value of the Hubble constant

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Liu, Hao; Naselsky, Pavel; Mohayaee, Roya, E-mail: liuhao@nbi.dk, E-mail: roya@iap.fr, E-mail: naselsky@nbi.dk

    2016-06-01

    The existence of critical points for the peculiar velocity field is a natural feature of the correlated vector field. These points appear at the junctions of velocity domains with different orientations of their averaged velocity vectors. Since peculiar velocities are the important cause of the scatter in the Hubble expansion rate, we propose that a more precise determination of the Hubble constant can be made by restricting analysis to a subsample of observational data containing only the zones around the critical points of the peculiar velocity field, associated with voids and saddle points. On large-scales the critical points, where themore » first derivative of the gravitational potential vanishes, can easily be identified using the density field and classified by the behavior of the Hessian of the gravitational potential. We use high-resolution N-body simulations to show that these regions are stable in time and hence are excellent tracers of the initial conditions. Furthermore, we show that the variance of the Hubble flow can be substantially minimized by restricting observations to the subsample of such regions of vanishing velocity instead of aiming at increasing the statistics by averaging indiscriminately using the full data sets, as is the common approach.« less

  5. 7. VIEW OF TIP TOP AND PHILLIPS MINES. PHOTO MADE ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    7. VIEW OF TIP TOP AND PHILLIPS MINES. PHOTO MADE FROM THE 'NOTTINGHAM' SADDLE VISIBLE IN PHOTOGRAPHS ID-31-3 AND ID-31-6. CAMERA POINTED NORTHEAST TIP TOP IS CLEARLY VISIBLE IN UPPER RIGHT; RUNNING A STRAIGHT EDGE THROUGH THE TRUNK LINE OF SMALL TREE IN LOWER RIGHT THROUGH TRUNK LINE OF LARGER TREE WILL DIRECT ONE TO LIGHT AREA WHERE TIP TOP IS LOCATED; BLACK SQUARE IS THE RIGHT WINDOW ON WEST SIDE (FRONT) OF STRUCTURE. PHILLIPS IS VISIBLE BY FOLLOWING TREE LINE DIAGONALLY THROUGH IMAGE TO FAR LEFT SIDE. SULLIVAN IS HIDDEN IN THE TREE TO THE RIGHT OF PHILLIPS. - Florida Mountain Mining Sites, Silver City, Owyhee County, ID

  6. Electrostatically confined quantum rings in bilayer graphene.

    PubMed

    Zarenia, M; Pereira, J M; Peeters, F M; Farias, G A

    2009-12-01

    We propose a new system where electron and hole states are electrostatically confined into a quantum ring in bilayer graphene. These structures can be created by tuning the gap of the graphene bilayer using nanostructured gates or by position-dependent doping. The energy levels have a magnetic field (B(0)) dependence that is strikingly distinct from that of usual semiconductor quantum rings. In particular, the eigenvalues are not invariant under a B(0) --> -B(0) transformation and, for a fixed total angular momentum index m, their field dependence is not parabolic, but displays two minima separated by a saddle point. The spectra also display several anticrossings, which arise due to the overlap of gate-confined and magnetically confined states.

  7. Stability analysis on an economic epidemiological model with vaccination Pages : - , and.

    PubMed

    Avusuglo, Wisdom S; Abdella, Kenzu; Feng, Wenying

    2017-08-01

    In this paper, an economic epidemiological model with vaccination is studied. The stability of the endemic steady-state is analyzed and some bifurcation properties of the system are investigated. It is established that the system exhibits saddle-point and period-doubling bifurcations when adult susceptible individuals are vaccinated. Furthermore, it is shown that susceptible individuals also have the tendency of opting for more number of contacts even if the vaccine is inefficacious and thus causes the disease endemic to increase in the long run. Results from sensitivity analysis with specific disease parameters are also presented. Finally, it is shown that the qualitative behaviour of the system is affected by contact levels.

  8. Is the Rational Addiction model inherently impossible to estimate?

    PubMed

    Laporte, Audrey; Dass, Adrian Rohit; Ferguson, Brian S

    2017-07-01

    The Rational Addiction (RA) model is increasingly often estimated using individual level panel data with mixed results; in particular, with regard to the implied rate of time discount. This paper suggests that the odd values of the rate of discount frequently found in the literature may in fact be a consequence of the saddle-point dynamics associated with individual level inter-temporal optimization problems. We report the results of Monte Carlo experiments estimating RA-type difference equations that seem to suggest the possibility that the presence of both a stable and an unstable root in the dynamic process may create serious problems for the estimation of RA equations. Copyright © 2016 Elsevier B.V. All rights reserved.

  9. A path integral approach to the full Dicke model with dipole-dipole interaction

    NASA Astrophysics Data System (ADS)

    Aparicio Alcalde, M.; Stephany, J.; Svaiter, N. F.

    2011-12-01

    We consider the full Dicke spin-boson model composed by a single bosonic mode and an ensemble of N identical two-level atoms with different couplings for the resonant and anti-resonant interaction terms, and incorporate a dipole-dipole interaction between the atoms. Assuming that the system is in thermal equilibrium with a reservoir at temperature β-1, we compute the free energy in the thermodynamic limit N → ∞ in the saddle-point approximation to the path integral and determine the critical temperature for the super-radiant phase transition. In the zero temperature limit, we recover the critical coupling of the quantum phase transition, presented in the literature.

  10. Cops or Robbers — a Bistable Society

    NASA Astrophysics Data System (ADS)

    Kułakowski, K.

    The norm game described by Axelrod in 1985 was recently treated with the master equation formalism. Here we discuss the equations, where (i) those who break the norm cannot punish and those who punish cannot break the norm, (ii) the tendency to punish is suppressed if the majority breaks the norm. The second mechanism is new. For some values of the parameters the solution shows the saddle-point bifurcation. Then, two stable solutions are possible, where the majority breaks the norm or the majority punishes. This means, that the norm breaking can be discontinuous, when measured in the social scale. The bistable character is reproduced also with new computer simulations on the Erdös-Rényi directed network.

  11. On the late-time behavior of Virasoro blocks and a classification of semiclassical saddles

    DOE PAGES

    Fitzpatrick, A. Liam; Kaplan, Jared

    2017-04-12

    Recent work has demonstrated that black hole thermodynamics and information loss/restoration in AdS 3/CFT 2 can be derived almost entirely from the behavior of the Virasoro conformal blocks at large central charge, with relatively little dependence on the precise details of the CFT spectrum or OPE coefficients. Here, we elaborate on the non-perturbative behavior of Virasoro blocks by classifying all ‘saddles’ that can contribute for arbitrary values of external and internal operator dimensions in the semiclassical large central charge limit. The leading saddles, which determine the naive semiclassical behavior of the Virasoro blocks, all decay exponentially at late times, andmore » at a rate that is independent of internal operator dimensions. Consequently, the semiclassical contribution of a finite number of high-energy states cannot resolve a well-known version of the information loss problem in AdS 3. Furthermore, we identify two infinite classes of sub-leading saddles, and one of these classes does not decay at late times.« less

  12. Cis-dicarbonyl binding at cobalt and iron porphyrins with saddle-shape conformation.

    PubMed

    Seufert, Knud; Bocquet, Marie-Laure; Auwärter, Willi; Weber-Bargioni, Alexander; Reichert, Joachim; Lorente, Nicolás; Barth, Johannes V

    2011-02-01

    Diatomic molecules attached to complexed iron or cobalt centres are important in many biological processes. In natural systems, metallotetrapyrrole units carry respiratory gases or provide sensing and catalytic functions. Conceiving synthetic model systems strongly helps to determine the pertinent chemical foundations for such processes, with recent work highlighting the importance of the prosthetic groups' conformational flexibility as an intricate variable affecting their functional properties. Here, we present simple model systems to investigate, at the single molecule level, the interaction of carbon monoxide with saddle-shaped iron- and cobalt-porphyrin conformers, which have been stabilized as two-dimensional arrays on well-defined surfaces. Using scanning tunnelling microscopy we identified a novel bonding scheme expressed in tilted monocarbonyl and cis-dicarbonyl configurations at the functional metal-macrocycle unit. Modelling with density functional theory revealed that the weakly bonded diatomic carbonyl adduct can effectively bridge specific pyrrole groups with the metal atom as a result of the pronounced saddle-shape conformation of the porphyrin cage.

  13. PyCPR - a python-based implementation of the Conjugate Peak Refinement (CPR) algorithm for finding transition state structures.

    PubMed

    Gisdon, Florian J; Culka, Martin; Ullmann, G Matthias

    2016-10-01

    Conjugate peak refinement (CPR) is a powerful and robust method to search transition states on a molecular potential energy surface. Nevertheless, the method was to the best of our knowledge so far only implemented in CHARMM. In this paper, we present PyCPR, a new Python-based implementation of the CPR algorithm within the pDynamo framework. We provide a detailed description of the theory underlying our implementation and discuss the different parts of the implementation. The method is applied to two different problems. First, we illustrate the method by analyzing the gauche to anti-periplanar transition of butane using a semiempirical QM method. Second, we reanalyze the mechanism of a glycyl-radical enzyme, namely of 4-hydroxyphenylacetate decarboxylase (HPD) using QM/MM calculations. In the end, we suggest a strategy how to use our implementation of the CPR algorithm. The integration of PyCPR into the framework pDynamo allows the combination of CPR with the large variety of methods implemented in pDynamo. PyCPR can be used in combination with quantum mechanical and molecular mechanical methods (and hybrid methods) implemented directly in pDynamo, but also in combination with external programs such as ORCA using pDynamo as interface. PyCPR is distributed as free, open source software and can be downloaded from http://www.bisb.uni-bayreuth.de/index.php?page=downloads . Graphical Abstract PyCPR is a search tool for finding saddle points on the potential energy landscape of a molecular system.

  14. The 1,2-hydrogen shift reaction for monohalogenophosphanes PH2X and HPX (X = F, Cl)

    NASA Astrophysics Data System (ADS)

    Viana, Rommel B.; Varela, Jaldyr J. G., Jr.; Tello, Ana C. M.; Savedra, Ranylson M. L.; da Silva, Albérico B. F.

    2016-10-01

    The aim of the present study was to perform a quantum chemical investigation in the 1,2-hydrogen shift reaction for the PH2X and HPX molecules (X = F,Cl). Several phosphorus-halogen-bearing molecules were studied, including PH2F, PH2Cl, HPF, HPCl, HPFH, HPClH, PFH and PClH. The energies of stationary and saddle points on the ground electronic potential energy surface were investigated with post-Hartree-Fock methods [CCSD(T), MP2, QCISD] and different DFT functionals. The PH2F 1,2-hydrogen shift energy barrier was 75 kcal mol-1 at the CCSD(T) level and only a small increase in this value was observed for the HPF isomerisation. In contrast, the HPCl 1,2-hydrogen shift barrier is higher than the PH2Cl one, which presented a barrier height of 69 kcal mol-1 among CCSD(T) and composite methods. The rate constants of these unimolecular rearrangements varied from 10-44 to 10-38 s-1, and these isomerisation channels exhibited large half-lives. In addition, the heat of formation of each monohalogenophosphane was also calculated. The Quantum Theory of Atoms in Molecules (QTAIM) and Natural Bond Orbital (NBO) analysis were also employed to characterise the differences between the phosphorous-halogen bonds.

  15. Accelerated molecular dynamics: A promising and efficient simulation method for biomolecules

    NASA Astrophysics Data System (ADS)

    Hamelberg, Donald; Mongan, John; McCammon, J. Andrew

    2004-06-01

    Many interesting dynamic properties of biological molecules cannot be simulated directly using molecular dynamics because of nanosecond time scale limitations. These systems are trapped in potential energy minima with high free energy barriers for large numbers of computational steps. The dynamic evolution of many molecular systems occurs through a series of rare events as the system moves from one potential energy basin to another. Therefore, we have proposed a robust bias potential function that can be used in an efficient accelerated molecular dynamics approach to simulate the transition of high energy barriers without any advance knowledge of the location of either the potential energy wells or saddle points. In this method, the potential energy landscape is altered by adding a bias potential to the true potential such that the escape rates from potential wells are enhanced, which accelerates and extends the time scale in molecular dynamics simulations. Our definition of the bias potential echoes the underlying shape of the potential energy landscape on the modified surface, thus allowing for the potential energy minima to be well defined, and hence properly sampled during the simulation. We have shown that our approach, which can be extended to biomolecules, samples the conformational space more efficiently than normal molecular dynamics simulations, and converges to the correct canonical distribution.

  16. Occurrence of Organic Compounds and Trace Elements in the Upper Passaic and Elizabeth Rivers and Their Tributaries in New Jersey, July 2003 to February 2004: Phase II of the New Jersey Toxics Reduction Workplan for New York-New Jersey Harbor

    USGS Publications Warehouse

    Wilson, Timothy P.; Bonin, Jennifer L.

    2008-01-01

    Samples of surface water and suspended sediment were collected from the Passaic and Elizabeth Rivers and their tributaries in New Jersey from July 2003 to February 2004 to determine the concentrations of selected chlorinated organic and inorganic constituents. This sampling and analysis was conducted as Phase II of the New York-New Jersey Harbor Estuary Workplan?Contaminant Assessment and Reduction Program (CARP), which is overseen by the New Jersey Department of Environmental Protection. Phase II of the New Jersey Workplan was conducted to define upstream tributary and point sources of contaminants in those rivers sampled during Phase I work, with special emphasis on the Passaic and Elizabeth Rivers. Samples were collected from three groups of tributaries: (1) the Second, Third, and Saddle Rivers; (2) the Pompton and upper Passaic Rivers; and (3) the West Branch and main stem of the Elizabeth River. The Second, Third, and Saddle Rivers were sampled near their confluence with the tidal Passaic River, but at locations not affected by tidal flooding. The Pompton and upper Passaic Rivers were sampled immediately upstream from their confluence at Two Bridges, N.J. The West Branch and the main stem of the Elizabeth River were sampled just upstream from their confluence at Hillside, N.J. All tributaries were sampled during low-flow discharge conditions using the protocols and analytical methods for organic constituents used in low-flow sampling in Phase I. Grab samples of streamflow also were collected at each site and were analyzed for trace elements (mercury, methylmercury, cadmium, and lead) and for suspended sediment, particulate organic carbon, and dissolved organic carbon. The measured concentrations and available historical suspended-sediment and stream-discharge data (where available) were used to estimate average annual loads of suspended sediment and organic compounds in these rivers. Total suspended-sediment loads for 1975?2000 were estimated using rating curves developed from historical U.S. Geological Survey (USGS) suspended-sediment and discharge data, where available. Average annual loads of suspended sediment, in millions of kilograms per year (Mkg/yr), were estimated to be 0.190 for the Second River, 0.23 for the Third River, 1.00 for the Saddle River, 1.76 for the Pompton River, and 7.40 for the upper Passaic River. On the basis of the available discharge records, the upper Passaic River was estimated to provide approximately 60 percent of the water and 80 percent of the total suspended-sediment load at the Passaic River head-of-tide, whereas the Pompton River provided roughly 20 percent of the total suspended-sediment load estimated at the head-of-tide. The combined suspended-sediment loads of the upper Passaic and Pompton Rivers (9.2 Mkg/yr), however, represent only 40 percent of the average annual suspended-sediment load estimated for the head-of-tide (23 Mkg/yr) at Little Falls, N.J. The difference between the combined suspended-sediment loads of the tributaries and the estimated load at Little Falls represents either sediment trapped upriver from the dam at Little Falls, additional inputs of suspended sediment downstream from the tributary confluence, or uncertainty in the suspended-sediment and discharge data that were used. The concentrations of total suspended sediment-bound polychlorinated biphenyls (PCBs) in the tributaries to the Passaic River were 194 ng/g (nanograms per gram) in the Second River, 575 ng/g in the Third River, 2,320 ng/g in the Saddle River, 200 ng/g in the Pompton River, and 87 ng/g in the upper Passic River. The dissolved PCB concentrations in the tributaries were 563 pg/L (picograms per liter) in the Second River, 2,510 pg/L in the Third River, 2,270 pg/L in the Saddle River, 887 pg/L in the Pompton River, and 1,000 pg/L in the upper Passaic River. Combined with the sediment loads and discharge, these concentrations resulted in annual loads of suspended sediment-bound PCBs, i

  17. A minimally-resolved immersed boundary model for reaction-diffusion problems

    NASA Astrophysics Data System (ADS)

    Pal Singh Bhalla, Amneet; Griffith, Boyce E.; Patankar, Neelesh A.; Donev, Aleksandar

    2013-12-01

    We develop an immersed boundary approach to modeling reaction-diffusion processes in dispersions of reactive spherical particles, from the diffusion-limited to the reaction-limited setting. We represent each reactive particle with a minimally-resolved "blob" using many fewer degrees of freedom per particle than standard discretization approaches. More complicated or more highly resolved particle shapes can be built out of a collection of reactive blobs. We demonstrate numerically that the blob model can provide an accurate representation at low to moderate packing densities of the reactive particles, at a cost not much larger than solving a Poisson equation in the same domain. Unlike multipole expansion methods, our method does not require analytically computed Green's functions, but rather, computes regularized discrete Green's functions on the fly by using a standard grid-based discretization of the Poisson equation. This allows for great flexibility in implementing different boundary conditions, coupling to fluid flow or thermal transport, and the inclusion of other effects such as temporal evolution and even nonlinearities. We develop multigrid-based preconditioners for solving the linear systems that arise when using implicit temporal discretizations or studying steady states. In the diffusion-limited case the resulting linear system is a saddle-point problem, the efficient solution of which remains a challenge for suspensions of many particles. We validate our method by comparing to published results on reaction-diffusion in ordered and disordered suspensions of reactive spheres.

  18. Michel accretion of a polytropic fluid with adiabatic index \\gamma \\gt 5/3: global flows versus homoclinic orbits

    NASA Astrophysics Data System (ADS)

    Chaverra, Eliana; Mach, Patryk; Sarbach, Olivier

    2016-05-01

    We analyze the properties of a polytropic fluid that is radially accreted into a Schwarzschild black hole. The case where the adiabatic index γ lies in the range of 1\\lt γ ≤slant 5/3 has been treated in previous work. In this article, we analyze the complementary range of 5/3\\lt γ ≤slant 2. To this purpose, the problem is cast into an appropriate Hamiltonian dynamical system, whose phase flow is analyzed. While, for 1\\lt γ ≤slant 5/3, the solutions are always characterized by the presence of a unique critical saddle point, we show that, when 5/3\\lt γ ≤slant 2, an additional critical point might appear, which is a center point. For the parametrization used in this paper, we prove that, whenever this additional critical point appears, there is a homoclinic orbit. Solutions corresponding to homoclinic orbits differ from standard transonic solutions with vanishing asymptotic velocities in two aspects: they are local (i.e., they cannot be continued to arbitrarily large radii); the dependence of the density or the value of the velocity on the radius is not monotonic.

  19. Temperature-driven evolution of critical points, interlayer coupling, and layer polarization in bilayer Mo S2

    NASA Astrophysics Data System (ADS)

    Du, Luojun; Zhang, Tingting; Liao, Mengzhou; Liu, Guibin; Wang, Shuopei; He, Rui; Ye, Zhipeng; Yu, Hua; Yang, Rong; Shi, Dongxia; Yao, Yugui; Zhang, Guangyu

    2018-04-01

    The recently emerging two-dimensional (2D) transition-metal dichalcogenides (TMDCs) have been a fertile ground for exploring abundant exotic physical properties. Critical points, the extrema or saddle points of electronic bands, are the cornerstone of condensed-matter physics and fundamentally determine the optical and transport phenomena of the TMDCs. However, for bilayer Mo S2 , a typical TMDC and the unprecedented electrically tunable venue for valleytronics, there has been a considerable controversy on its intrinsic electronic structure, especially for the conduction band-edge locations. Moreover, interlayer hopping and layer polarization in bilayer Mo S2 which play vital roles in valley-spintronic applications have remained experimentally elusive. Here, we report the experimental observation of intrinsic critical points locations, interlayer hopping, layer-spin polarization, and their evolution with temperature in bilayer Mo S2 by performing temperature-dependent photoluminescence. Our measurements confirm that the conduction-band minimum locates at the Kc instead of Qc, and the energy splitting between Qc and Kc redshifts with a descent of temperature. Furthermore, the interlayer hopping energy for holes and temperature-dependent layer polarization are quantitatively determined. Our observations are in good harmony with density-functional theory calculations.

  20. Effects of different dispersal patterns on the presence-absence of multiple species

    NASA Astrophysics Data System (ADS)

    Mohd, Mohd Hafiz; Murray, Rua; Plank, Michael J.; Godsoe, William

    2018-03-01

    Predicting which species will be present (or absent) across a geographical region remains one of the key problems in ecology. Numerous studies have suggested several ecological factors that can determine species presence-absence: environmental factors (i.e. abiotic environments), interactions among species (i.e. biotic interactions) and dispersal process. While various ecological factors have been considered, less attention has been given to the problem of understanding how different dispersal patterns, in interaction with other factors, shape community assembly in the presence of priority effects (i.e. where relative initial abundances determine the long-term presence-absence of each species). By employing both local and non-local dispersal models, we investigate the consequences of different dispersal patterns on the occurrence of priority effects and coexistence in multi-species communities. In the case of non-local, but short-range dispersal, we observe agreement with the predictions of local models for weak and medium dispersal strength, but disagreement for relatively strong dispersal levels. Our analysis shows the existence of a threshold value in dispersal strength (i.e. saddle-node bifurcation) above which priority effects disappear. These results also reveal a co-dimension 2 point, corresponding to a degenerate transcritical bifurcation: at this point, the transcritical bifurcation changes from subcritical to supercritical with corresponding creation of a saddle-node bifurcation curve. We observe further contrasting effects of non-local dispersal as dispersal distance changes: while very long-range dispersal can lead to species extinctions, intermediate-range dispersal can permit more outcomes with multi-species coexistence than short-range dispersal (or purely local dispersal). Overall, our results show that priority effects are more pronounced in the non-local dispersal models than in the local dispersal models. Taken together, our findings highlight the profound delicacy in the mediation of priority effects by dispersal processes: ;big steps; can have more influence than many ;small steps;.

  1. New Developments in the Theory of HTSC [High Temperature Superconductors

    DOE R&D Accomplishments Database

    Abrikosov, A.A.

    1994-09-01

    The superconductor is supposed to consist of alternating layers of two kinds: (1) layers with an attractive electron interaction and an effective mass of usual magnitude, (2) layers without interaction and with a large effective mass. The overlap between the layers is assumed to be small, its energy, t, being much less than {Delta}. It is shown, that such a model explains the most peculiar property found in experiments on electronic Raman light scattering in BSCCO 2212: different threshold values for the Raman satellite measured at two different polarizations of the incident and scattered light. The tunneling conductance G(V)= dJ/dV is analyzed for the same model. In order to fit the qualitative features of experimental data, it is assumed that the tunneling probability to the normal layers is much less, than to the superconducting layers. The conductance is calculated for the case t{much_lt}{Delta}. A brief analysis is given for the case t{approximately}{Delta}, which proves that such an assumption definitely contradicts the experimental data for BSCCO. The possible nature of the electronic states in the normal layers is discussed. In connection with the experimental discovery (angle resolved photoemission spectroscopy, ARPES) of the extended saddle point singularities in the electron spectrum of a variety of HTSC consequences are derived for T{sub c} and {Delta} in a simple model. A large enhancement of superconductivity is possible if the singularity has a sufficient extension and is located close to the Fermi energy. In order to explain the anisotropy of the energy gap, observed in ARPES experiments, on the basis of the "extended saddle point singularities" an assumption is done that the Coulomb interactions are weakly screened, i.e. the Debye screening radius is much larger than the lattice period; this makes the electron interaction long ranged (E-L model).

  2. An unusual presentation of eosinophilic angiocentric fibrosis.

    PubMed

    Hardman, Joel; Toon, Christopher; Nirmalananda, Arjuna

    2017-12-01

    Eosinophilic angiocentric fibrosis (EAF) is a rare, benign condition affecting the respiratory mucosa and is generally characterized by a locally destructive growth. We present a case of a lady with a saddle nose deformity that had for many years been treated as granulomatosis with polyangiitis (GPA), of which saddle nose deformity is a classic feature. At the time of surgery, she was found to have subglottic stenosis another classic feature of GPA, however, histology demonstrated EAF. We discuss the difference between the two conditions and highlight the importance of making the correct diagnosis.

  3. A Thumb Carpometacarpal Joint Coordinate System Based on Articular Surface Geometry

    PubMed Central

    Halilaj, Eni; Rainbow, Michael J.; Got, Christopher; Moore, Douglas C.; Crisco, Joseph J.

    2013-01-01

    The thumb carpometacarpal (CMC) joint is a saddle-shaped articulation whose in vivo kinematics can be explored more accurately with computed tomography (CT) imaging methods than with previously used skin-based marker systems. These CT-based methods permit a detailed analysis of the morphology of the joint, and thus the prominent saddle-shaped geometry can be used to define a coordinate system that is inherently aligned with the primary directions of motion at the joint. The purpose of this study was to develop a CMC joint coordinate systems that is based on the computed principal directions of curvature on the trapezium and the first metacarpal. We evaluated the new coordinate system using bone surface models segmented from the CT scans of twenty-four healthy subjects. An analysis of sensitivity to the manual selection of articular surfaces resulted in mean orientation differences of 0.7±0.7° and mean location differences of 0.2±0.1mm. Inter-subject variability, which mostly emanates from anatomical differences, was evaluated with whole bone registration and resulted in mean orientation differences of 3.1±2.7° and mean location differences of 0.9±0.5mm. The proposed joint coordinate system addresses concerns of repeatability associated with bony landmark identification and provides a robust platform for describing the complex kinematics of the CMC joint. PMID:23357698

  4. Saddle Slow Manifolds and Canard Orbits in [Formula: see text] and Application to the Full Hodgkin-Huxley Model.

    PubMed

    Hasan, Cris R; Krauskopf, Bernd; Osinga, Hinke M

    2018-04-19

    Many physiological phenomena have the property that some variables evolve much faster than others. For example, neuron models typically involve observable differences in time scales. The Hodgkin-Huxley model is well known for explaining the ionic mechanism that generates the action potential in the squid giant axon. Rubin and Wechselberger (Biol. Cybern. 97:5-32, 2007) nondimensionalized this model and obtained a singularly perturbed system with two fast, two slow variables, and an explicit time-scale ratio ε. The dynamics of this system are complex and feature periodic orbits with a series of action potentials separated by small-amplitude oscillations (SAOs); also referred to as mixed-mode oscillations (MMOs). The slow dynamics of this system are organized by two-dimensional locally invariant manifolds called slow manifolds which can be either attracting or of saddle type.In this paper, we introduce a general approach for computing two-dimensional saddle slow manifolds and their stable and unstable fast manifolds. We also develop a technique for detecting and continuing associated canard orbits, which arise from the interaction between attracting and saddle slow manifolds, and provide a mechanism for the organization of SAOs in [Formula: see text]. We first test our approach with an extended four-dimensional normal form of a folded node. Our results demonstrate that our computations give reliable approximations of slow manifolds and canard orbits of this model. Our computational approach is then utilized to investigate the role of saddle slow manifolds and associated canard orbits of the full Hodgkin-Huxley model in organizing MMOs and determining the firing rates of action potentials. For ε sufficiently large, canard orbits are arranged in pairs of twin canard orbits with the same number of SAOs. We illustrate how twin canard orbits partition the attracting slow manifold into a number of ribbons that play the role of sectors of rotations. The upshot is that we are able to unravel the geometry of slow manifolds and associated canard orbits without the need to reduce the model.

  5. Design study of superconducting magnets for a combustion magnetohydrodynamic /MHD/ generator

    NASA Technical Reports Server (NTRS)

    Thome, R. J.; Ayers, J. W.; Hrycaj, T. M.; Burkhart, J. A.

    1978-01-01

    Results are presented for a trade-off and preliminary design study on concepts of a superconducting magnet system for a combustion MHD generator test facility. The main objective is to gain insight into the magnitude of the project in terms of physical characteristics and cost. The net result of a first-phase evaluation of attractive design alternatives is to concentrate subsequent efforts on (1) a racetrack coil geometry with an operating temperature of 4.2 K, (2) a racetrack coil geometry with an operating temperature of 2.0 K, and (3) a rectangular saddle coil geometry with an operating temperature of 4.2 K. All three systems are to produce 8 T, and use NbTi superconductor and iron for field enhancement. Design characteristics of the three systems are described. It is shown that the racetrack and rectangular saddle coil geometries seem most suitable for this application, the former because of its simplicity and the latter because of its efficient use of material. Advantages of the rectangular saddle over the two other systems are stressed.

  6. Stalk Phase Formation: Effects of Dehydration and Saddle Splay Modulus

    PubMed Central

    Kozlovsky, Yonathan; Efrat, Avishay; Siegel, David A.; Kozlov, Michael M.

    2004-01-01

    One of the earliest lipid intermediates forming in the course of membrane fusion is the lipid stalk. Although many aspects of the stalk hypothesis were elaborated theoretically and confirmed by experiments it remained unresolved whether stalk formation is always an energy consuming process or if there are conditions where the stalks are energetically favorable and form spontaneously resulting in an equilibrium stalk phase. Motivated by a recent breakthrough experiments we analyze the physical factors determining the spontaneous stalk formation. We show that this process can be driven by interplay between two factors: the elastic energy of lipid monolayers including a contribution of the saddle splay deformation and the energy of hydration repulsion acting between apposing membranes. We analyze the dependence of stalk formation on the saddle splay (Gaussian) modulus of the lipid monolayers and estimate the values of this modulus based on the experimentally established phase boundary between the lamellar and the stalk phases. We suggest that fusion proteins can induce stalk formation just by bringing the membranes into close contact, and accumulating, at least locally, a sufficiently large energy of the hydration repulsion. PMID:15454446

  7. Metastable state en route to traveling-wave synchronization state

    NASA Astrophysics Data System (ADS)

    Park, Jinha; Kahng, B.

    2018-02-01

    The Kuramoto model with mixed signs of couplings is known to produce a traveling-wave synchronized state. Here, we consider an abrupt synchronization transition from the incoherent state to the traveling-wave state through a long-lasting metastable state with large fluctuations. Our explanation of the metastability is that the dynamic flow remains within a limited region of phase space and circulates through a few active states bounded by saddle and stable fixed points. This complex flow generates a long-lasting critical behavior, a signature of a hybrid phase transition. We show that the long-lasting period can be controlled by varying the density of inhibitory/excitatory interactions. We discuss a potential application of this transition behavior to the recovery process of human consciousness.

  8. A complete analytical solution of the Fokker-Planck and balance equations for nucleation and growth of crystals

    NASA Astrophysics Data System (ADS)

    Makoveeva, Eugenya V.; Alexandrov, Dmitri V.

    2018-01-01

    This article is concerned with a new analytical description of nucleation and growth of crystals in a metastable mushy layer (supercooled liquid or supersaturated solution) at the intermediate stage of phase transition. The model under consideration consisting of the non-stationary integro-differential system of governing equations for the distribution function and metastability level is analytically solved by means of the saddle-point technique for the Laplace-type integral in the case of arbitrary nucleation kinetics and time-dependent heat or mass sources in the balance equation. We demonstrate that the time-dependent distribution function approaches the stationary profile in course of time. This article is part of the theme issue `From atomistic interfaces to dendritic patterns'.

  9. Three-dimensional interactions and vortical flows with emphasis on high speeds

    NASA Technical Reports Server (NTRS)

    Peake, D. J.; Tobak, M.

    1980-01-01

    Diverse kinds of three-dimensional regions of separation in laminar and turbulent boundary layers are discussed that exist on lifting aerodynamic configurations immersed in flows from subsonic to hypersonic speeds. In all cases of three dimensional flow separation, the assumption of continuous vector fields of skin-friction lines and external-flow streamlines, coupled with simple topology laws, provides a flow grammar whose elemental constituents are the singular points: nodes, foci, and saddles. Adopting these notions enables one to create sequences of plausible flow structures, to deduce mean flow characteristics, expose flow mechanisms, and to aid theory and experiment where lack of resolution in numerical calculations or wind tunnel observation causes imprecision in diagnosing the three dimensional flow features.

  10. Using surface curvature to map geomorphic process regimes in a bedrock landscape, Henry Mountains, Utah

    NASA Astrophysics Data System (ADS)

    Corbett, S.; Sklar, L. S.; Davis, J.

    2009-12-01

    Linkages between form and process are much better understood in soil-mantled landscapes than in bedrock landscapes, despite the wide occurrence of bedrock landscapes in arid and mountainous terrain. Soil-mantled hillslope topography can be characterized by hillslope gradient and its spatial derivative, which is commonly referred to as curvature and defined as the Laplacian of elevation. Surface curvature can also be quantified using techniques that are invariant to the orientation of the surface. These approaches are useful in many geoscience applications, including structural analysis of folded surfaces within deforming crustal blocks. Here we explore the use of surface curvature of bedrock topography as a metric to identify and map distinct geomorphic process regimes in a landscape devoid of soil cover. Our study site is Simpson Creek, a 2.5 km2 watershed on the east flank of Mt. Hillers in the Henry Mountains, Utah, which drains to the Colorado River in Glen Canyon. The land surface is entirely exposed Navajo Sandstone bedrock, with isolated patches of wind-blown sand deposits. The channel network is discontinuous, with alternating reaches of steep, deeply-incised, frequently-potholed slots, and lower-gradient, sand-bedded channels. Hillslope topography is characterized by dome-shaped and sub-linear ridges, and is influenced by prominent structural joints. We calculate two measures of the surface-normal curvature using an ALSM-derived digital elevation model. The mean and Gaussian surface curvatures are the average and product respectively of the magnitudes of the maximum and minimum curvature vectors, obtained by differentiating a polynomial fit at each point in a grid with 1 m spacing. Plots of mean versus Gaussian curvature reveal distinct clusters of landscape elements, which we associate with specific process regimes. In this parameter space, there are four quadrants, classified as dome, basin, synformal saddle and antiformal saddle. The channel and valley network corresponds to negative mean curvature, where concave and convex profile segments plot as basins and synformal saddles (positive and negative Gaussian curvature) respectively. We are able to use surface curvature to map what can be interpreted as bedrock channel width, as well as knickpoints, sand-bedrock bed transitions, and even individual large potholes. The tips of the channel network also have a distinct surface-curvature signature, and are associated with prominent polygonal bedrock fracturing at the sub-meter scale. In the hillslope portion of the landscape (positive mean curvature), the distribution of landscape elements has several modes, including a characteristic dome curvature that may be associated with sheet jointing and weathering-influenced exfoliation erosion, and an antiformal saddle curvature where solution pits occur, particularly on higher ridges most distant from the main-stem slot canyon channels. One key goal of this work is to quantify the effect of variable erosion rate on the distribution of process regime as expressed by these characteristic modes of bedrock surface curvature.

  11. Theory of high-order harmonic generation for gapless graphene

    NASA Astrophysics Data System (ADS)

    Zurrón, Óscar; Picón, Antonio; Plaja, Luis

    2018-05-01

    We study the high-harmonic spectrum emitted by a single-layer graphene, irradiated by an ultrashort intense infrared laser pulse. We show the emergence of the typical non-perturbative spectral features, harmonic plateau and cut-off, for mid-infrared driving fields, at fluences below the damage threshold. In contrast to previous works, using THz drivings, we demonstrate that the harmonic cut-off frequency saturates with the intensity. Our results are derived from the numerical integration of the time-dependent Schrödinger equation using a nearest neighbor tight-binding description of graphene. We also develop a saddle-point analysis that reveals a mechanism for harmonic emission in graphene different from that reported in atoms, molecules and finite gap solids. In graphene, the first step is initiated by the non-diabatic crossing of the valence band electron trajectories through the Dirac points, instead of tunneling ionization/excitation. We include a complete identification of the trajectories contributing to any particular high harmonic and reproduce the harmonic cut-off scaling with the driving intensity.

  12. Electron phonon interactions and intrinsic nonadiabatic state of superconductors

    NASA Astrophysics Data System (ADS)

    Baňacký, Pavol

    2007-09-01

    Study of band structure of YBa 2Cu 3O 7 has shown that electron coupling to A g, B 2g and B 3g modes results in fluctuation of saddle point of one of the CuO plane d-pσ band in Y point of 1st BZ across Fermi level. It represents breakdown of adiabatic Born-Oppenheimer approximation and transition of the system into intrinsic nonadiabatic state, ω > EF. Results show that system is stabilized in this state at distorted nuclear geometry. Stabilization effect is mainly due to strong dependence of the electronic motion on instantaneous nuclear momenta. On the lattice scale, the intrinsic nonadiabatic state is geometrically degenerate at broken translation symmetry - system has fluxional nuclear configuration of O2, O3 atoms in CuO planes. It enables formation of mobile bipolarons that can move in the lattice without dissipation. Described effects are absent in non-superconducting YBa 2Cu 3O 6.

  13. Stability of the Kasner universe in f (T ) gravity

    NASA Astrophysics Data System (ADS)

    Paliathanasis, Andronikos; Said, Jackson Levi; Barrow, John D.

    2018-02-01

    f (T ) gravity theory offers an alternative context in which to consider gravitational interactions where torsion, rather than curvature, is the mechanism by which gravitation is communicated. We investigate the stability of the Kasner solution with several forms of the arbitrary Lagrangian function examined within the f (T ) context. This is a Bianchi type-I vacuum solution with anisotropic expansion factors. In the f (T ) gravity setting, the solution must conform to a set of conditions in order to continue to be a vacuum solution of the generalized field equations. With this solution in hand, the perturbed field equations are determined for power-law and exponential forms of the f (T ) function. We find that the point which describes the Kasner solution is a saddle point which means that the singular solution is unstable. However, we find the de Sitter universe is a late-time attractor. In general relativity, the cosmological constant drives the isotropization of the spacetime while in this setting the extra f (T ) contributions now provide this impetus.

  14. Saddle Pulmonary Embolism with Paradoxical Coronary Artery Embolism through a Patent Foramen Ovale.

    PubMed

    Achesinski, Amber L; Gunther, Wendy M; Pearman, Catherine B

    2017-05-01

    A 35-year-old male patient was found in cardiac arrest in his vehicle, with no apparent injuries after a minor motor vehicle collision. The decedent was found to have a saddle pulmonary embolus with a thromboembolus impacted across a patent foramen ovale and a paradoxical embolism in the circumflex coronary artery, as well as significant clotting in the deep veins of both lower extremities. There were no risk factors in his history to explain the deep venous thrombosis; family history suggested the possibility of an unrecognized clotting disorder. © 2017 American Academy of Forensic Sciences.

  15. Chaos crisis and bistability of self-pulsing dynamics in a laser diode with phase-conjugate feedback

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Virte, Martin; Karsaklian Dal Bosco, Andreas; Wolfersberger, Delphine

    2011-10-15

    A laser diode subject to a phase-conjugate optical feedback can exhibit rich nonlinear dynamics and chaos. We report here on two bifurcation mechanisms that appear when increasing the amount of light being fed back to the laser. First, we report on a full suppression of chaos from a crisis induced by a saddle-node bifurcation on self-pulsing, so-called external-cavity-mode solutions (ECMs). Second, the feedback-dependent torus and saddle-node bifurcations on ECMs may be responsible for large regions of bistability between ECMs of different and high (beyond gigahertz) frequencies.

  16. Wyeomyia (Prosopolepis) Confusa (Lutz): Subgeneric Validation, Species Description, and Recognition of Wyeomyia Flui (Bonne-Wepster and Bonne) as the Senior Synonym of Wyeomyia Kerri Del Ponte and Cerqueira

    DTIC Science & Technology

    1999-01-01

    Short, length about 0.5 mm; widest at base, tapering distally; index 2.5-3.3 (width mea- sured at base); lightly and evenly tanned. Pecten with 3-9...compressed and expanded distally, with hooked tip. Segment X: Saddle incomplete; lightly tanned; length about 0.25 mm, siphon/saddle index about...cylindrical; index about 3.6 (2.5-4.1) (width measured at midlength). Ab- domen: Lightly tanned, anterior margins of sterna II-VI noticeably darker; length

  17. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Shah, Jainil P., E-mail: jainil.shah@duke.edu; Mann, Steve D.; McKinley, Randolph L.

    Purpose: A novel breast CT system capable of arbitrary 3D trajectories has been developed to address cone beam sampling insufficiency as well as to image further into the patient’s chest wall. The purpose of this study was to characterize any trajectory-related differences in 3D x-ray dose distribution in a pendant target when imaged with different orbits. Methods: Two acquisition trajectories were evaluated: circular azimuthal (no-tilt) and sinusoidal (saddle) orbit with ±15° tilts around a pendant breast, using Monte Carlo simulations as well as physical measurements. Simulations were performed with tungsten (W) filtration of a W-anode source; the simulated source fluxmore » was normalized to the measured exposure of a W-anode source. A water-filled cylindrical phantom was divided into 1 cm{sup 3} voxels, and the cumulative energy deposited was tracked in each voxel. Energy deposited per voxel was converted to dose, yielding the 3D distributed dose volumes. Additionally, three cylindrical phantoms of different diameters (10, 12.5, and 15 cm) and an anthropomorphic breast phantom, initially filled with water (mimicking pure fibroglandular tissue) and then with a 75% methanol-25% water mixture (mimicking 50–50 fibroglandular-adipose tissues), were used to simulate the pendant breast geometry and scanned on the physical system. Ionization chamber calibrated radiochromic film was used to determine the dose delivered in a 2D plane through the center of the volume for a fully 3D CT scan using the different orbits. Results: Measured experimental results for the same exposure indicated that the mean dose measured throughout the central slice for different diameters ranged from 3.93 to 5.28 mGy, with the lowest average dose measured on the largest cylinder with water mimicking a homogeneously fibroglandular breast. These results align well with the cylinder phantom Monte Carlo studies which also showed a marginal difference in dose delivered by a saddle trajectory in the central slice. Regardless of phantom material or filled fluid density, dose delivered by the saddle scan was negligibly different than the simple circular, no-tilt scans. The average dose measured in the breast phantom was marginally higher for saddle than the circular no tilt scan at 3.82 and 3.87 mGy, respectively. Conclusions: Not only does nontraditional 3D-trajectory CT scanning yield more complete sampling of the breast volume but also has comparable dose deposition throughout the breast and anterior chest volume, as verified by Monte Carlo simulation and physical measurements.« less

  18. Three dimensional dose distribution comparison of simple and complex acquisition trajectories in dedicated breast CT

    PubMed Central

    Shah, Jainil P.; Mann, Steve D.; McKinley, Randolph L.; Tornai, Martin P.

    2015-01-01

    Purpose: A novel breast CT system capable of arbitrary 3D trajectories has been developed to address cone beam sampling insufficiency as well as to image further into the patient’s chest wall. The purpose of this study was to characterize any trajectory-related differences in 3D x-ray dose distribution in a pendant target when imaged with different orbits. Methods: Two acquisition trajectories were evaluated: circular azimuthal (no-tilt) and sinusoidal (saddle) orbit with ±15° tilts around a pendant breast, using Monte Carlo simulations as well as physical measurements. Simulations were performed with tungsten (W) filtration of a W-anode source; the simulated source flux was normalized to the measured exposure of a W-anode source. A water-filled cylindrical phantom was divided into 1 cm3 voxels, and the cumulative energy deposited was tracked in each voxel. Energy deposited per voxel was converted to dose, yielding the 3D distributed dose volumes. Additionally, three cylindrical phantoms of different diameters (10, 12.5, and 15 cm) and an anthropomorphic breast phantom, initially filled with water (mimicking pure fibroglandular tissue) and then with a 75% methanol-25% water mixture (mimicking 50–50 fibroglandular-adipose tissues), were used to simulate the pendant breast geometry and scanned on the physical system. Ionization chamber calibrated radiochromic film was used to determine the dose delivered in a 2D plane through the center of the volume for a fully 3D CT scan using the different orbits. Results: Measured experimental results for the same exposure indicated that the mean dose measured throughout the central slice for different diameters ranged from 3.93 to 5.28 mGy, with the lowest average dose measured on the largest cylinder with water mimicking a homogeneously fibroglandular breast. These results align well with the cylinder phantom Monte Carlo studies which also showed a marginal difference in dose delivered by a saddle trajectory in the central slice. Regardless of phantom material or filled fluid density, dose delivered by the saddle scan was negligibly different than the simple circular, no-tilt scans. The average dose measured in the breast phantom was marginally higher for saddle than the circular no tilt scan at 3.82 and 3.87 mGy, respectively. Conclusions: Not only does nontraditional 3D-trajectory CT scanning yield more complete sampling of the breast volume but also has comparable dose deposition throughout the breast and anterior chest volume, as verified by Monte Carlo simulation and physical measurements. PMID:26233179

  19. One dimensionalization in the spin-1 Heisenberg model on the anisotropic triangular lattice

    NASA Astrophysics Data System (ADS)

    Gonzalez, M. G.; Ghioldi, E. A.; Gazza, C. J.; Manuel, L. O.; Trumper, A. E.

    2017-11-01

    We investigate the effect of dimensional crossover in the ground state of the antiferromagnetic spin-1 Heisenberg model on the anisotropic triangular lattice that interpolates between the regime of weakly coupled Haldane chains (J'≪J ) and the isotropic triangular lattice (J'=J ). We use the density-matrix renormalization group (DMRG) and Schwinger boson theory performed at the Gaussian correction level above the saddle-point solution. Our DMRG results show an abrupt transition between decoupled spin chains and the spirally ordered regime at (J'/J) c˜0.42 , signaled by the sudden closing of the spin gap. Coming from the magnetically ordered side, the computation of the spin stiffness within Schwinger boson theory predicts the instability of the spiral magnetic order toward a magnetically disordered phase with one-dimensional features at (J'/J) c˜0.43 . The agreement of these complementary methods, along with the strong difference found between the intra- and the interchain DMRG short spin-spin correlations for sufficiently large values of the interchain coupling, suggests that the interplay between the quantum fluctuations and the dimensional crossover effects gives rise to the one-dimensionalization phenomenon in this frustrated spin-1 Hamiltonian.

  20. Interstitial loop transformations in FeCr

    DOE PAGES

    Béland, Laurent Karim; Osetsky, Yuri N.; Stoller, Roger E.; ...

    2015-03-27

    Here, we improve the Self-Evolving Atomistic Kinetic Monte Carlo (SEAKMC) algorithm by integrating the Activation Relaxation Technique nouveau (ARTn), a powerful open-ended saddle-point search method, into the algorithm. We use it to investigate the reaction of 37-interstitial 1/2[1 1 1] and 1/2[View the MathML source] loops in FeCr at 10 at.% Cr. They transform into 1/2[1 1 1], 1/2[View the MathML source], [1 0 0] and [0 1 0] 74-interstitial clusters with an overall barrier of 0.85 eV. We find that Cr decoration locally inhibits the rotation of crowdions, which dictates the final loop orientation. Moreover, the final loop orientationmore » depends on the details of the Cr decoration. Generally, a region of a given orientation is favored if Cr near its interface with a region of another orientation is able to inhibit reorientation at this interface more than the Cr present at the other interfaces. Also, we find that substitutional Cr atoms can diffuse from energetically unfavorable to energetically favorable sites within the interlocked 37-interstitial loops conformation with barriers of less than 0.35 eV.« less

  1. Measurement of 240Pu Angular Momentum Dependent Fission Probabilities Using the (α ,α') Reaction

    NASA Astrophysics Data System (ADS)

    Koglin, Johnathon; Burke, Jason; Fisher, Scott; Jovanovic, Igor

    2017-09-01

    The surrogate reaction method often lacks the theoretical framework and necessary experimental data to constrain models especially when rectifying differences between angular momentum state differences between the desired and surrogate reaction. In this work, dual arrays of silicon telescope particle identification detectors and photovoltaic (solar) cell fission fragment detectors have been used to measure the fission probability of the 240Pu(α ,α' f) reaction - a surrogate for the 239Pu(n , f) - and fission fragment angular distributions. Fission probability measurements were performed at a beam energy of 35.9(2) MeV at eleven scattering angles from 40° to 140°e in 10° intervals and at nuclear excitation energies up to 16 MeV. Fission fragment angular distributions were measured in six bins from 4.5 MeV to 8.0 MeV and fit to expected distributions dependent on the vibrational and rotational excitations at the saddle point. In this way, the contributions to the total fission probability from specific states of K angular momentum projection on the symmetry axis are extracted. A sizable data collection is presented to be considered when constraining microscopic cross section calculations.

  2. Structural features of small benzene clusters (C6H6)n (n ≤ 30) as investigated with the all-atom OPLS potential.

    PubMed

    Takeuchi, Hiroshi

    2012-10-18

    The structures of the simplest aromatic clusters, benzene clusters (C(6)H(6))(n), are not well elucidated. In the present study, benzene clusters (C(6)H(6))(n) (n ≤ 30) were investigated with the all-atom optimized parameters for liquid simulation (OPLS) potential. The global minima and low-lying minima of the benzene clusters were searched with the heuristic method combined with geometrical perturbations. The structural features and growth sequence of the clusters were examined by carrying out local structure analyses and structural similarity evaluation with rotational constants. Because of the anisotropic interaction between the benzene molecules, the local structures consisting of 13 molecules are considerably deviated from regular icosahedron, and the geometries of some of the clusters are inconsistent with the shapes constructed by the interior molecules. The distribution of the angle between the lines normal to two neighboring benzene rings is anisotropic in the clusters, whereas that in the liquid benzene is nearly isotropic. The geometries and energies of the low-lying configurations and the saddle points between them suggest that most of the configurations previously detected in supersonic expansions take different orientations for one to four neighboring molecules.

  3. Time-dependent Gutzwiller theory of magnetic excitations in the Hubbard model

    NASA Astrophysics Data System (ADS)

    Seibold, G.; Becca, F.; Rubin, P.; Lorenzana, J.

    2004-04-01

    We use a spin-rotational invariant Gutzwiller energy functional to compute random-phase-approximation-like (RPA) fluctuations on top of the Gutzwiller approximation (GA). The method can be viewed as an extension of the previously developed GA+RPA approach for the charge sector [G. Seibold and J. Lorenzana, Phys. Rev. Lett. 86, 2605 (2001)] with respect to the inclusion of the magnetic excitations. Unlike the charge case, no assumptions about the time evolution of the double occupancy are needed in this case. Interestingly, in a spin-rotational invariant system, we find the correct degeneracy between triplet excitations, showing the consistency of both computations. Since no restrictions are imposed on the symmetry of the underlying saddle-point solution, our approach is suitable for the evaluation of the magnetic susceptibility and dynamical structure factor in strongly correlated inhomogeneous systems. We present a detailed study of the quality of our approach by comparing with exact diagonalization results and show its much higher accuracy compared to the conventional Hartree-Fock+RPA theory. In infinite dimensions, where the GA becomes exact for the Gutzwiller variational energy, we evaluate ferromagnetic and antiferromagnetic instabilities from the transverse magnetic susceptibility. The resulting phase diagram is in complete agreement with previous variational computations.

  4. Reaching extended length-scales with temperature-accelerated dynamics

    NASA Astrophysics Data System (ADS)

    Amar, Jacques G.; Shim, Yunsic

    2013-03-01

    In temperature-accelerated dynamics (TAD) a high-temperature molecular dynamics (MD) simulation is used to accelerate the search for the next low-temperature activated event. While TAD has been quite successful in extending the time-scales of simulations of non-equilibrium processes, due to the fact that the computational work scales approximately as the cube of the number of atoms, until recently only simulations of relatively small systems have been carried out. Recently, we have shown that by combining spatial decomposition with our synchronous sublattice algorithm, significantly improved scaling is possible. However, in this approach the size of activated events is limited by the processor size while the dynamics is not exact. Here we discuss progress in developing an alternate approach in which high-temperature parallel MD along with localized saddle-point (LSAD) calculations, are used to carry out TAD simulations without restricting the size of activated events while keeping the dynamics ``exact'' within the context of harmonic transition-state theory. In tests of our LSAD method applied to Ag/Ag(100) annealing and Cu/Cu(100) growth simulations we find significantly improved scaling of TAD, while maintaining a negligibly small error in the energy barriers. Supported by NSF DMR-0907399.

  5. Experimental evaluation of a new morphological approximation of the articular surfaces of the ankle joint.

    PubMed

    Belvedere, Claudio; Siegler, Sorin; Ensini, Andrea; Toy, Jason; Caravaggi, Paolo; Namani, Ramya; Giannini, Giulia; Durante, Stefano; Leardini, Alberto

    2017-02-28

    The mechanical characteristics of the ankle such as its kinematics and load transfer properties are influenced by the geometry of the articulating surfaces. A recent, image-based study found that these surfaces can be approximated by a saddle-shaped, skewed, truncated cone with its apex oriented laterally. The goal of this study was to establish a reliable experimental technique to study the relationship between the geometry of the articular surfaces of the ankle and its mobility and stability characteristics and to use this technique to determine if morphological approximations of the ankle surfaces based on recent discoveries, produce close to normal behavior. The study was performed on ten cadavers. For each specimen, a process based on medical imaging, modeling and 3D printing was used to produce two subject specific artificial implantable sets of the ankle surfaces. One set was a replica of the natural surfaces. The second approximated the ankle surfaces as an original saddle-shaped truncated cone with apex oriented laterally. Testing under cyclic loading conditions was then performed on each specimen following a previously established technique to determine its mobility and stability characteristics under three different conditions: natural surfaces; artificial surfaces replicating the natural surface morphology; and artificial approximation based on the saddle-shaped truncated cone concept. A repeated measure analysis of variance was then used to compare between the three conditions. The results show that (1): the artificial surfaces replicating natural morphology produce close to natural mobility and stability behavior thus establishing the reliability of the technique; and (2): the approximated surfaces based on saddle-shaped truncated cone concept produce mobility and stability behavior close to the ankle with natural surfaces. Copyright © 2017 Elsevier Ltd. All rights reserved.

  6. The effect of mountain bike suspensions on vibrations and off-road uphill performance.

    PubMed

    Faiss, R; Praz, M; Meichtry, A; Gobelet, C; Deriaz, O

    2007-06-01

    This study evaluates the effect of front suspension (FS) and dual suspension (DS) mountain-bike on performance and vibrations during off-road uphill riding. Thirteen male cyclists (27+/-5 years, 70+/-6 kg, VO(2max)59+/-6 mL.kg(-1).min(-1), mean+/-SD) performed, in a random sequence, at their lactate threshold, an off-road uphill course (1.69 km, 212 m elevation gain) with both type of bicycles. Variable measured: a) VO(2) consumption (K4b2 analyzer, Cosmed), b) power output (SRM) c) gain in altitude and d) 3-D accelerations under the saddle and at the wheel (Physilog, EPFL, Switzerland). Power spectral analy- sis (Fourier) was performed from the vertical acceleration data. Respectively for the FS and DS mountain bike: speed amounted to 7.5+/-0.7 km.h(-1) and 7.4+/-0.8 km.h(-1), (NS), energy expenditure 1.39+/-0.16 kW and 1.38+/-0.18, (NS), gross efficiency 0.161+/-0.013 and 0.159+/-0.013, (NS), peak frequency of vibration under the saddle 4.78+/-2.85 Hz and 2.27+/-0.2 Hz (P<0.01) and median-frequency of vertical displacements of the saddle 9.41+/-1.47 Hz and 5.78+/-2.27 Hz (P<0.01). Vibrations at the saddle level of the DS bike are of low frequencies whereas those of the FS bike are mostly of high frequencies. In the DS bike, the torque produced by the cyclist at the pedal level may generate low frequency vibrations. We conclude that the DS bike absorbs more high frequency vibrations, is more comfortable and performs as well as the FS bicycle.

  7. Spike-adding in parabolic bursters: The role of folded-saddle canards

    NASA Astrophysics Data System (ADS)

    Desroches, Mathieu; Krupa, Martin; Rodrigues, Serafim

    2016-09-01

    The present work develops a new approach to studying parabolic bursting, and also proposes a novel four-dimensional canonical and polynomial-based parabolic burster. In addition to this new polynomial system, we also consider the conductance-based model of the Aplysia R15 neuron known as the Plant model, and a reduction of this prototypical biophysical parabolic burster to three variables, including one phase variable, namely the Baer-Rinzel-Carillo (BRC) phase model. Revisiting these models from the perspective of slow-fast dynamics reveals that the number of spikes per burst may vary upon parameter changes, however the spike-adding process occurs in an explosive fashion that involves special solutions called canards. This spike-adding canard explosion phenomenon is analysed by using tools from geometric singular perturbation theory in tandem with numerical bifurcation techniques. We find that the bifurcation structure persists across all considered systems, that is, spikes within the burst are incremented via the crossing of an excitability threshold given by a particular type of canard orbit, namely the true canard of a folded-saddle singularity. However there can be a difference in the spike-adding transitions in parameter space from one case to another, according to whether the process is continuous or discontinuous, which depends upon the geometry of the folded-saddle canard. Using these findings, we construct a new polynomial approximation of the Plant model, which retains all the key elements for parabolic bursting, including the spike-adding transitions mediated by folded-saddle canards. Finally, we briefly investigate the presence of spike-adding via canards in planar phase models of parabolic bursting, namely the theta model by Ermentrout and Kopell.

  8. Correction Capability in the 3 Anatomic Planes of Different Pedicle Screw Designs in Scoliosis Instrumentation.

    PubMed

    Wang, Xiaoyu; Aubin, Carl-Eric; Coleman, John; Rawlinson, Jeremy

    2017-05-01

    Computer simulations to compare the correction capabilities of different pedicle screws in adolescent idiopathic scoliosis (AIS) instrumentations. To compare the correction and resulting bone-screw forces associated with different pedicle screws in scoliosis instrumentations. Pedicle screw fixation is widely used in surgical instrumentation for spinal deformity treatment. Screw design, correction philosophies, and surgical techniques are constantly evolving to achieve better control of the vertebrae and correction of the spinal deformity. Yet, there remains a lack of biomechanical studies that quantify the effects and advantages of different screw designs in terms of correction kinematics. The correction capabilities of fixed-angle, multiaxial, uniaxial, and saddle axial screws were kinematically analyzed, simulated, and compared. These simulations were based on the screw patterns and correction techniques proposed by 2 experienced surgeons for 2 AIS cases. Additional instrumentations were assessed to compare the correction and resulting bone-screw forces associated with each type of screw. The fixed-angle, uniaxial and saddle axial screws had similar kinematic behavior and performed better than multiaxial screws in the coronal and transverse planes (8% and 30% greater simulated corrections, respectively). Uniaxial and multiaxial screws were less effective than fixed-angle and saddle axial screws in transmitting compression/distraction to the anterior spine because of their sagittal plane mobility between the screw head and shank. Only the saddle axial screws allow vertebra angle in the sagittal plane to be independently adjusted. Pedicle screws of different designs performed differently for deformity corrections or for compensating screw placement variations in different anatomic planes. For a given AIS case, screw types should be determined based on the particular instrumentation objectives, the deformity's stiffness and characteristics so as to make the best of the screw designs.

  9. Dynamics and Physiological Roles of Stochastic Firing Patterns Near Bifurcation Points

    NASA Astrophysics Data System (ADS)

    Jia, Bing; Gu, Huaguang

    2017-06-01

    Different stochastic neural firing patterns or rhythms that appeared near polarization or depolarization resting states were observed in biological experiments on three nervous systems, and closely matched those simulated near bifurcation points between stable equilibrium point and limit cycle in a theoretical model with noise. The distinct dynamics of spike trains and interspike interval histogram (ISIH) of these stochastic rhythms were identified and found to build a relationship to the coexisting behaviors or fixed firing frequency of four different types of bifurcations. Furthermore, noise evokes coherence resonances near bifurcation points and plays important roles in enhancing information. The stochastic rhythms corresponding to Hopf bifurcation points with fixed firing frequency exhibited stronger coherence degree and a sharper peak in the power spectrum of the spike trains than those corresponding to saddle-node bifurcation points without fixed firing frequency. Moreover, the stochastic firing patterns changed to a depolarization resting state as the extracellular potassium concentration increased for the injured nerve fiber related to pathological pain or static blood pressure level increased for aortic depressor nerve fiber, and firing frequency decreased, which were different from the physiological viewpoint that firing frequency increased with increasing pressure level or potassium concentration. This shows that rhythms or firing patterns can reflect pressure or ion concentration information related to pathological pain information. Our results present the dynamics of stochastic firing patterns near bifurcation points, which are helpful for the identification of both dynamics and physiological roles of complex neural firing patterns or rhythms, and the roles of noise.

  10. Coupled catastrophes: sudden shifts cascade and hop among interdependent systems

    PubMed Central

    Barnett, George; D'Souza, Raissa M.

    2015-01-01

    An important challenge in several disciplines is to understand how sudden changes can propagate among coupled systems. Examples include the synchronization of business cycles, population collapse in patchy ecosystems, markets shifting to a new technology platform, collapses in prices and in confidence in financial markets, and protests erupting in multiple countries. A number of mathematical models of these phenomena have multiple equilibria separated by saddle-node bifurcations. We study this behaviour in its normal form as fast–slow ordinary differential equations. In our model, a system consists of multiple subsystems, such as countries in the global economy or patches of an ecosystem. Each subsystem is described by a scalar quantity, such as economic output or population, that undergoes sudden changes via saddle-node bifurcations. The subsystems are coupled via their scalar quantity (e.g. trade couples economic output; diffusion couples populations); that coupling moves the locations of their bifurcations. The model demonstrates two ways in which sudden changes can propagate: they can cascade (one causing the next), or they can hop over subsystems. The latter is absent from classic models of cascades. For an application, we study the Arab Spring protests. After connecting the model to sociological theories that have bistability, we use socioeconomic data to estimate relative proximities to tipping points and Facebook data to estimate couplings among countries. We find that although protests tend to spread locally, they also seem to ‘hop' over countries, like in the stylized model; this result highlights a new class of temporal motifs in longitudinal network datasets. PMID:26559684

  11. Budget Online Learning Algorithm for Least Squares SVM.

    PubMed

    Jian, Ling; Shen, Shuqian; Li, Jundong; Liang, Xijun; Li, Lei

    2017-09-01

    Batch-mode least squares support vector machine (LSSVM) is often associated with unbounded number of support vectors (SVs'), making it unsuitable for applications involving large-scale streaming data. Limited-scale LSSVM, which allows efficient updating, seems to be a good solution to tackle this issue. In this paper, to train the limited-scale LSSVM dynamically, we present a budget online LSSVM (BOLSSVM) algorithm. Methodologically, by setting a fixed budget for SVs', we are able to update the LSSVM model according to the updated SVs' set dynamically without retraining from scratch. In particular, when a new small chunk of SVs' substitute for the old ones, the proposed algorithm employs a low rank correction technology and the Sherman-Morrison-Woodbury formula to compute the inverse of saddle point matrix derived from the LSSVM's Karush-Kuhn-Tucker (KKT) system, which, in turn, updates the LSSVM model efficiently. In this way, the proposed BOLSSVM algorithm is especially useful for online prediction tasks. Another merit of the proposed BOLSSVM is that it can be used for k -fold cross validation. Specifically, compared with batch-mode learning methods, the computational complexity of the proposed BOLSSVM method is significantly reduced from O(n 4 ) to O(n 3 ) for leave-one-out cross validation with n training samples. The experimental results of classification and regression on benchmark data sets and real-world applications show the validity and effectiveness of the proposed BOLSSVM algorithm.

  12. Distinct evolutions of Weyl fermion quasiparticles and Fermi arcs with bulk band topology in Weyl semimetals

    NASA Astrophysics Data System (ADS)

    Xu, Nan; Autes, Gabriel; Matt, Christian; Lv, Baiqing; Bisti, Federico; Strocov, Vladimir; Gawryluk, Dariusz; Pomjakushina, Ekaterina; Conder, Kazimierz; Plumb, Nicholas; Radovic, Milan; Qian, Tian; Yazyev, Oleg; Mesot, Joel; Ding, Hong; Shi, Ming

    By performing ARPES and first-principle calculations, we demonstrate that Weyl fermions quasiparticles in bulk and Fermi arc on surface show distinct evolutions with the bulk band topology in transition-metal monophosphides. While Weyl fermion quasiparticles exist only when the chemical potential is located between two saddle points of the Weyl cone features, the Fermi arc states extend in a larger energy scale and are robust across the bulk Lifshitz transitions associated with the recombination of two non-trivial Fermi surfaces enclosing one Weyl point into a single trivial Fermi surface enclosing two Weyl points of opposite chirality. Therefore, in some systems (NbP), Fermi arc states are preserved even if Weyl fermion quasiparticles are absent in the bulk. Our findings not only provide insight into the relationship between the exotic physical phenomena and the intrinsic bulk band topology in Weyl semimetals, but also resolve the apparent puzzle of the different magneto-transport properties observed in TaAs, TaP and NbP, where the Fermi arc states are similar. The Sino-Swiss Science and Technology Cooperation (No. IZLCZ2138954), NCCR-MARVEL funded by the Swiss National Science Foundation.

  13. Unsteady three-dimensional flow separation

    NASA Technical Reports Server (NTRS)

    Hui, W. H.

    1988-01-01

    A concise mathematical framework is constructed to study the topology of steady 3-D separated flows of an incompressible, or a compressible viscous fluid. Flow separation is defined by the existence of a stream surface which intersects with the body surface. The line of separation is itself a skin-friction line. Flow separation is classified as being either regular or singular, depending respectively on whether the line of separation contains only a finite number of singular points or is a singular line of the skin-friction field. The special cases of 2-D and axisymmetric flow separation are shown to be of singular type. In regular separation it is shown that a line of separation originates from a saddle point of separation of the skin-friction field and ends at nodal points of separation. Unsteady flow separation is defined relative to a coordinate system fixed to the body surface. It is shown that separation of an unsteady 3-D incompressible viscous flow at time t, when viewed from such a frame of reference, is topologically the same as that of the fictitious steady flow obtained by freezing the unsteady flow at the instant t. Examples are given showing effects of various forms of flow unsteadiness on flow separation.

  14. Observation of van Hove singularity and quasiparticle interference in KFe2 As2 superconductors revealed by STM/STS measurements

    NASA Astrophysics Data System (ADS)

    Wen, Hai-Hu; Fang, Delong; Du, Zengyi; Wang, Zhenyu; Yang, Huan; Ding, Xiaxin

    2015-03-01

    We have conducted STM/STS investigations on the KFe2As2 superconducting single crystals down to 0.45 K under magnetic field. Clear electronic standing waves have been observed allowing us to investigate the quasiparticle interference (QPI). Interestingly we observed a sharp peak of local density of states (LDOS) near the Fermi energy showing evidence of strongly enhanced DOS both below and above Tc. We demonstrate that this is induced by a van Hove singularity with the saddle point locating only 4 meV below the Fermi energy. Below Tc it is found that only 20% of the normal state DOS is gapped away by superconductivity, with the major part of DOS due to VHS ungapped. Combing with the ARPES data, we find that the VHS points locate on the (π,0) point, which gives strong constraint on the gap function and pairing mechanism. In the mixed state we clearly observed the mixture of vortices and the standing waves due to quasiparticle interference, giving support to above picture. In collaboration with X. Shi, P. Richard, T. Qian and H. Ding et al. in Institute of Physics, CAS.

  15. Fractal Parameter Space of Lorenz-like Attractors: A Hierarchical Approach

    NASA Astrophysics Data System (ADS)

    Xing, Tingli; Wojcik, Jeremy; Zaks, Michael A.; Shilnikov, Andrey

    2014-12-01

    Using bi-parametric sweeping based on symbolic representation we reveal self-similar fractal structures induced by hetero- and homoclinic bifurcations of saddle singularities in the parameter space of two systems with deterministic chaos. We start with the system displaying a few homoclinic bifurcations of higher codimension: resonant saddle, orbitflip and inclination switch that all can give rise to the onset of the Lorenz-type attractor. It discloses a universal unfolding pattern in the case of systems of autonomous ordinary differential equations possessing two-fold symmetry or "Z2-systems" with the characteristic separatrix butterfly. The second system is the classic Lorenz model of 1963, originated in fluid mechanics.

  16. Piezoelectric valve

    DOEpatents

    Petrenko, Serhiy Fedorovich

    2013-01-15

    A motorized valve has a housing having an inlet and an outlet to be connected to a pipeline, a saddle connected with the housing, a turn plug having a rod, the turn plug cooperating with the saddle, and a drive for turning the valve body and formed as a piezoelectric drive, the piezoelectric drive including a piezoelectric generator of radially directed standing acoustic waves, which is connected with the housing and is connectable with a pulse current source, and a rotor operatively connected with the piezoelectric generator and kinematically connected with the rod of the turn plug so as to turn the turn plug when the rotor is actuated by the piezoelectric generator.

  17. AmeriFlux US-CZ2 Sierra Critical Zone, Sierra Transect, Ponderosa Pine Forest, Soaproot Saddle

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Goulden, Michael

    This is the AmeriFlux version of the carbon flux data for the site US-CZ2 Sierra Critical Zone, Sierra Transect, Ponderosa Pine Forest, Soaproot Saddle. Site Description - Half hourly data are available at https://www.ess.uci.edu/~california/. This site is one of four Southern Sierra Critical Zone Observatory flux towers operated along an elevation gradient (sites are USCZ1, USCZ2, USCZ3 and USCZ4). This site is an oak/pine forest, with occasional thinning and wildfire, a prescribed understory burn ~2012, and severe drought and ~80% canopy mortality in 2011-15

  18. [Assessment of biological sampling's quality in a medical laboratory: case of Côte d' Ivoire Institute Pasteur].

    PubMed

    Kouassi-M'Bengue, Alphonsine; Koffi, Stephane; Manizan, Pascale; Ouattara, Abdoulaye; N'Douba, Adele Kacou; Dosso, Mireille

    2008-01-01

    Assurance quality is important in medical laboratory, but in Africa, few laboratories are involved in this process. The aim of this study was to assess biological sampling's quality in a bacteriological laboratory. A cross sectional study was undertaken in medical bacteriological laboratory of Côte d' Ivoire Institute Pasteur during 6 months. All urines, saddles, and bronchial expectorations collected from ambulatory patients during this period were included in the study. The quality of urine's, saddles and bronchial expectorations' sampling for a bacteriological analysis was evaluated. An interview based on Guidelines of good laboratories practices and referential ISO 15189 was used. A total of 300 samples were indexed. On a total of 300 recorded biological samples, 224 (74.7%) were not in conformity. In 87.5% of the cases of nonconformities, an antibiotic's treatment were preliminary instituted before the sampling. Corrective actions were carried in the laboratory on 30 samples with 56.6% for the urines, 26.7% for the saddles and 16.7% for the bronchial expectorations. At the end of this study, it arises that the quality of the biological sampling received at the medical bacteriology laboratory need to be improved.

  19. Electrochemical and impedance characterization of Microbial Fuel Cells based on 2D and 3D anodic electrodes working with seawater microorganisms under continuous operation.

    PubMed

    Hidalgo, D; Sacco, A; Hernández, S; Tommasi, T

    2015-11-01

    A mixed microbial population naturally presents in seawater was used as active anodic biofilm of two Microbial Fuel Cells (MFCs), employing either a 2D commercial carbon felt or 3D carbon-coated Berl saddles as anode electrodes, with the aim to compare their electrochemical behavior under continuous operation. After an initial increase of the maximum power density, the felt-based cell reduced its performance at 5 months (from 7 to 4 μW cm(-2)), while the saddle-based MFC exceeds 9 μW cm(-2) (after 2 months) and maintained such performance for all the tests. Electrochemical impedance spectroscopy was used to identify the MFCs controlling losses and indicates that the mass-transport limitations at the biofilm-electrolyte interface have the main contribution (>95%) to their internal resistance. The activation resistance was one order of magnitude lower with the Berl saddles than with carbon felt, suggesting an enhanced charge-transfer in the high surface-area 3D electrode, due to an increase in bacteria population growth. Copyright © 2015 Elsevier Ltd. All rights reserved.

  20. Sire carcass breeding values affect body composition in lambs - 1. Effects on lean weight and its distribution within the carcass as measured by computed tomography.

    PubMed

    Anderson, F; Williams, A; Pannier, L; Pethick, D W; Gardner, G E

    2015-10-01

    Data are obtained from computed tomography scanning of 1665 lambs at locations around Australia. Lambs were progeny of Terminal, Maternal and Merino sires with known Australian Sheep Breeding Values for post weaning c-site eye muscle depth (mm; PEMD) and fat depth (mm; PFAT), and post weaning weight (kg; PWWT). Across the 7.8 unit range of sire PEMD, carcass lean weight increased by 7.7%. This lean was distributed to the saddle section (mid-section) where lean became 3.8% heavier, with fore section lean becoming 3.5% lighter. Reducing sire PFAT across its 5.1 unit range increased carcass lean weight by 9.5%, and distributed lean to the saddle section which was 3.7% heavier. Increasing sire PWWT increased lean at some sites in some years, and on average increased saddle lean by 4% across the 24.7 unit PWWT range. Changes in lean weight and distribution due to selection for carcass breeding values will increase carcass value, particularly through increased weight of high value loin cuts. Copyright © 2015. Published by Elsevier Ltd.

  1. A universal preconditioner for simulating condensed phase materials.

    PubMed

    Packwood, David; Kermode, James; Mones, Letif; Bernstein, Noam; Woolley, John; Gould, Nicholas; Ortner, Christoph; Csányi, Gábor

    2016-04-28

    We introduce a universal sparse preconditioner that accelerates geometry optimisation and saddle point search tasks that are common in the atomic scale simulation of materials. Our preconditioner is based on the neighbourhood structure and we demonstrate the gain in computational efficiency in a wide range of materials that include metals, insulators, and molecular solids. The simple structure of the preconditioner means that the gains can be realised in practice not only when using expensive electronic structure models but also for fast empirical potentials. Even for relatively small systems of a few hundred atoms, we observe speedups of a factor of two or more, and the gain grows with system size. An open source Python implementation within the Atomic Simulation Environment is available, offering interfaces to a wide range of atomistic codes.

  2. Disordered λ φ4+ρ φ6 Landau-Ginzburg model

    NASA Astrophysics Data System (ADS)

    Diaz, R. Acosta; Svaiter, N. F.; Krein, G.; Zarro, C. A. D.

    2018-03-01

    We discuss a disordered λ φ4+ρ φ6 Landau-Ginzburg model defined in a d -dimensional space. First we adopt the standard procedure of averaging the disorder-dependent free energy of the model. The dominant contribution to this quantity is represented by a series of the replica partition functions of the system. Next, using the replica-symmetry ansatz in the saddle-point equations, we prove that the average free energy represents a system with multiple ground states with different order parameters. For low temperatures we show the presence of metastable equilibrium states for some replica fields for a range of values of the physical parameters. Finally, going beyond the mean-field approximation, the one-loop renormalization of this model is performed, in the leading-order replica partition function.

  3. A universal preconditioner for simulating condensed phase materials

    NASA Astrophysics Data System (ADS)

    Packwood, David; Kermode, James; Mones, Letif; Bernstein, Noam; Woolley, John; Gould, Nicholas; Ortner, Christoph; Csányi, Gábor

    2016-04-01

    We introduce a universal sparse preconditioner that accelerates geometry optimisation and saddle point search tasks that are common in the atomic scale simulation of materials. Our preconditioner is based on the neighbourhood structure and we demonstrate the gain in computational efficiency in a wide range of materials that include metals, insulators, and molecular solids. The simple structure of the preconditioner means that the gains can be realised in practice not only when using expensive electronic structure models but also for fast empirical potentials. Even for relatively small systems of a few hundred atoms, we observe speedups of a factor of two or more, and the gain grows with system size. An open source Python implementation within the Atomic Simulation Environment is available, offering interfaces to a wide range of atomistic codes.

  4. Pair density waves in superconducting vortex halos

    NASA Astrophysics Data System (ADS)

    Wang, Yuxuan; Edkins, Stephen D.; Hamidian, Mohammad H.; Davis, J. C. Séamus; Fradkin, Eduardo; Kivelson, Steven A.

    2018-05-01

    We analyze the interplay between a d -wave uniform superconducting and a pair-density-wave (PDW) order parameter in the neighborhood of a vortex. We develop a phenomenological nonlinear sigma model, solve the saddle-point equation for the order-parameter configuration, and compute the resulting local density of states in the vortex halo. The intertwining of the two superconducting orders leads to a charge density modulation with the same periodicity as the PDW, which is twice the period of the charge density wave that arises as a second harmonic of the PDW itself. We discuss key features of the charge density modulation that can be directly compared with recent results from scanning tunneling microscopy and speculate on the role PDW order may play in the global phase diagram of the hole-doped cuprates.

  5. Formation of superheavy elements in the capture of very heavy ions at high excitation energies

    NASA Astrophysics Data System (ADS)

    Royer, G.

    2013-05-01

    The potential barriers governing the reactions 58Fe+244Pu, 238U+64Ni, and 238U+72Ge have been determined from a liquid-drop model taking into account the proximity energy, shell energies, rotational energy, and deformation of the incoming nuclei in the quasimolecular shape valley. Double-humped potential barriers appear in these entrance channels. The external saddle-point corresponds to two touching ellipsoidal nuclei when the shell and pairing effects are taken into account, while the inner barrier is due to the shell effects at the vicinity of the spherical shape of the composite system. Between them, a large potential pocket exists and persists at very high angular momenta allowing the capture of very heavy ions at high excitation energies.

  6. Two-dimensional heteroclinic attractor in the generalized Lotka-Volterra system

    NASA Astrophysics Data System (ADS)

    Afraimovich, Valentin S.; Moses, Gregory; Young, Todd

    2016-05-01

    We study a simple dynamical model exhibiting sequential dynamics. We show that in this model there exist sets of parameter values for which a cyclic chain of saddle equilibria, O k , k=1,\\ldots,p , have two-dimensional unstable manifolds that contain orbits connecting each O k to the next two equilibrium points O k+1 and O k+2 in the chain ({{O}p+1}={{O}1} ). We show that the union of these equilibria and their unstable manifolds form a two-dimensional surface with a boundary that is homeomorphic to a cylinder if p is even and a Möbius strip if p is odd. If, further, each equilibrium in the chain satisfies a condition called ‘dissipativity’, then this surface is asymptotically stable.

  7. On the nonlinear feedback loop and energy cycle of the non-dissipative Lorenz model

    NASA Astrophysics Data System (ADS)

    Shen, B.-W.

    2014-04-01

    In this study, we discuss the role of the nonlinear terms and linear (heating) term in the energy cycle of the three-dimensional (X-Y-Z) non-dissipative Lorenz model (3D-NLM). (X, Y, Z) represent the solutions in the phase space. We first present the closed-form solution to the nonlinear equation d2 X/dτ2+ (X2/2)X = 0, τ is a non-dimensional time, which was never documented in the literature. As the solution is oscillatory (wave-like) and the nonlinear term (X2) is associated with the nonlinear feedback loop, it is suggested that the nonlinear feedback loop may act as a restoring force. We then show that the competing impact of nonlinear restoring force and linear (heating) force determines the partitions of the averaged available potential energy from Y and Z modes, respectively, denoted as APEY and APEZ. Based on the energy analysis, an energy cycle with four different regimes is identified with the following four points: A(X, Y) = (0,0), B = (Xt, Yt), C = (Xm, Ym), and D = (Xt, -Yt). Point A is a saddle point. The initial perturbation (X, Y, Z) = (0, 1, 0) gives (Xt, Yt) = ( 2σr , r) and (Xm, Ym) = (2 σr , 0). σ is the Prandtl number, and r is the normalized Rayleigh number. The energy cycle starts at (near) point A, A+ = (0, 0+) to be specific, goes through B, C, and D, and returns back to A, i.e., A- = (0,0-). From point A to point B, denoted as Leg A-B, where the linear (heating) force dominates, the solution X grows gradually with { KE↑, APEY↓, APEZ↓}. KE is the averaged kinetic energy. We use the upper arrow (↑) and down arrow (↓) to indicate an increase and decrease, respectively. In Leg B-C (or C-D) where nonlinear restoring force becomes dominant, the solution X increases (or decreases) rapidly with KE↑, APEY↑, APEZ↓ (or KE↓, APEY↓, APEZ↑). In Leg D-A, the solution X decreases slowly with {KE↓, APEY↑, APEZ↑ }. As point A is a saddle point, the aforementioned cycle may be only half of a "big" cycle, displaying the wing pattern of a glasswinged butterfly, and the other half cycle is antisymmetric with respect to the origin, namely B = (-Xt, -Yt), C = (-Xm, 0), and D = (-Xt, Yt).

  8. The structural chemistry of metallocorroles: combined X-ray crystallography and quantum chemistry studies afford unique insights.

    PubMed

    Thomas, Kolle E; Alemayehu, Abraham B; Conradie, Jeanet; Beavers, Christine M; Ghosh, Abhik

    2012-08-21

    Although they share some superficial structural similarities with porphyrins, corroles, trianionic ligands with contracted cores, give rise to fundamentally different transition metal complexes in comparison with the dianionic porphyrins. Many metallocorroles are formally high-valent, although a good fraction of them are also noninnocent, with significant corrole radical character. These electronic-structural characteristics result in a variety of fascinating spectroscopic behavior, including highly characteristic, paramagnetically shifted NMR spectra and textbook cases of charge-transfer spectra. Although our early research on corroles focused on spectroscopy, we soon learned that the geometric structures of metallocorroles provide a fascinating window into their electronic-structural characteristics. Thus, we used X-ray structure determinations and quantum chemical studies, chiefly using DFT, to obtain a comprehensive understanding of metallocorrole geometric and electronic structures. This Account describes our studies of the structural chemistry of metallocorroles. At first blush, the planar or mildly domed structure of metallocorroles might appear somewhat uninteresting particularly when compared to metalloporphyrins. Metalloporphyrins, especially sterically hindered ones, are routinely ruffled or saddled, but the missing meso carbon apparently makes the corrole skeleton much more resistant to nonplanar distortions. Ruffling, where the pyrrole rings are alternately twisted about the M-N bonds, is energetically impossible for metallocorroles. Saddling is also uncommon; thus, a number of sterically hindered, fully substituted metallocorroles exhibit almost perfectly planar macrocycle cores. Against this backdrop, copper corroles stand out as an important exception. As a result of an energetically favorable Cu(d(x2-y2))-corrole(π) orbital interaction, copper corroles, even sterically unhindered ones, are inherently saddled. Sterically hindered substituents accentuate this effect, sometimes dramatically. Thus, a crystal structure of a copper β-octakis(trifluoromethyl)-meso-triarylcorrole complex exhibits nearly orthogonal, adjacent pyrrole rings. Intriguingly, the formally isoelectronic silver and gold corroles are much less saddled than their copper congeners because the high orbital energy of the valence d(x2-y2) orbital discourages overlap with the corrole π orbital. A crystal structure of a gold β-octakis(trifluoromethyl)-meso-triarylcorrole complex exhibits a perfectly planar corrole core, which translates to a difference of 85° in the saddling dihedral angles between analogous copper and gold complexes. Gratifyingly, electrochemical, spectroscopic, and quantum chemical studies provide a coherent, theoretical underpinning for these fascinating structural phenomena. With the development of facile one-pot syntheses of corrole macrocycles in the last 10-15 years, corroles are now almost as readily accessible as porphyrins. Like porphyrins, corroles are promising building blocks for supramolecular constructs such as liquid crystals and metal-organic frameworks. However, because of their symmetry properties, corrole-based supramolecular constructs will probably differ substantially from porphyrin-based ones. We are particularly interested in exploiting the inherently saddled, chiral architectures of copper corroles to create novel oriented materials such as chiral liquid crystals. We trust that the fundamental structural principles uncovered in this Account will prove useful as we explore these fascinating avenues.

  9. Total photoionization cross-sections of excited electronic states by the algebraic diagrammatic construction-Stieltjes-Lanczos method.

    PubMed

    Ruberti, M; Yun, R; Gokhberg, K; Kopelke, S; Cederbaum, L S; Tarantelli, F; Averbukh, V

    2014-05-14

    Here, we extend the L2 ab initio method for molecular photoionization cross-sections introduced in Gokhberg et al. [J. Chem. Phys. 130, 064104 (2009)] and benchmarked in Ruberti et al. [J. Chem. Phys. 139, 144107 (2013)] to the calculation of total photoionization cross-sections of molecules in electronically excited states. The method is based on the ab initio description of molecular electronic states within the many-electron Green's function approach, known as algebraic diagrammatic construction (ADC), and on the application of Stieltjes-Chebyshev moment theory to Lanczos pseudospectra of the ADC electronic Hamiltonian. The intermediate state representation of the dipole operator in the ADC basis is used to compute the transition moments between the excited states of the molecule. We compare the results obtained using different levels of the many-body theory, i.e., ADC(1), ADC(2), and ADC(2)x for the first two excited states of CO, N2, and H2O both at the ground state and the excited state equilibrium or saddle point geometries. We find that the single excitation ADC(1) method is not adequate even at the qualitative level and that the inclusion of double electronic excitations for description of excited state photoionization is essential. Moreover, we show that the use of the extended ADC(2)x method leads to a substantial systematic difference from the strictly second-order ADC(2). Our calculations demonstrate that a theoretical modelling of photoionization of excited states requires an intrinsically double excitation theory with respect to the ground state and cannot be achieved by the standard single excitation methods with the ground state as a reference.

  10. Total photoionization cross-sections of excited electronic states by the algebraic diagrammatic construction-Stieltjes-Lanczos method

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ruberti, M.; Yun, R.; Averbukh, V.

    2014-05-14

    Here, we extend the L{sup 2} ab initio method for molecular photoionization cross-sections introduced in Gokhberg et al. [J. Chem. Phys. 130, 064104 (2009)] and benchmarked in Ruberti et al. [J. Chem. Phys. 139, 144107 (2013)] to the calculation of total photoionization cross-sections of molecules in electronically excited states. The method is based on the ab initio description of molecular electronic states within the many-electron Green's function approach, known as algebraic diagrammatic construction (ADC), and on the application of Stieltjes-Chebyshev moment theory to Lanczos pseudospectra of the ADC electronic Hamiltonian. The intermediate state representation of the dipole operator in themore » ADC basis is used to compute the transition moments between the excited states of the molecule. We compare the results obtained using different levels of the many-body theory, i.e., ADC(1), ADC(2), and ADC(2)x for the first two excited states of CO, N{sub 2}, and H{sub 2}O both at the ground state and the excited state equilibrium or saddle point geometries. We find that the single excitation ADC(1) method is not adequate even at the qualitative level and that the inclusion of double electronic excitations for description of excited state photoionization is essential. Moreover, we show that the use of the extended ADC(2)x method leads to a substantial systematic difference from the strictly second-order ADC(2). Our calculations demonstrate that a theoretical modelling of photoionization of excited states requires an intrinsically double excitation theory with respect to the ground state and cannot be achieved by the standard single excitation methods with the ground state as a reference.« less

  11. Earth meandering

    NASA Astrophysics Data System (ADS)

    Asadiyan, H.; Zamani, A.

    2009-04-01

    In this paper we try to put away current Global Tectonic Model to look the tectonic evolution of the earth from new point of view. Our new dynamic model is based on study of river meandering (RM) which infer new concept as Earth meandering(EM). In a universal gravitational field if we consider a clockwise spiral galaxy model rotate above Ninety East Ridge (geotectonic axis GA), this system with applying torsion field (likes geomagnetic field) in side direction from Rocky Mt. (west geotectonic pole WGP) to Tibetan plateau TP (east geotectonic pole EGP),it seems that pulled mass from WGP and pushed it in EGP due to it's rolling dynamics. According to this idea we see in topographic map that North America and Green land like a tongue pulled from Pacific mouth toward TP. Actually this system rolled or meander the earth over itself fractaly from small scale to big scale and what we see in the river meandering and Earth meandering are two faces of one coin. River transport water and sediments from high elevation to lower elevation and also in EM, mass transport from high altitude-Rocky Mt. to lower altitude Himalaya Mt. along 'S' shape geodetic line-optimum path which connect points from high altitude to lower altitude as kind of Euler Elastica(EE). These curves are responsible for mass spreading (source) and mass concentration (sink). In this regard, tiltness of earth spin axis plays an important role, 'S' are part of sigmoidal shape which formed due to intersection of Earth rolling with the Earth glob and actual feature of transform fault and river meandering. Longitudinal profile in mature rivers as a part of 'S' curve also is a kind of EE. 'S' which bound the whole earth is named S-1(S order 1) and cube corresponding to this which represent Earth fracturing in global scale named C-1(cube order 1 or side vergence cube SVC), C-1 is a biggest cycle of spiral polygon, so it is not completely closed and it has separation about diameter of C-7. Inside SVC we introduce cone vergence cube (CVC or geotectonic equator GE) which rotate 45 degree counterclockwise with respect to SVC. Every cube from big scale to small scale fractalize in order of 23 and every '8' shape from big scale to small scale also fractalize in the same order. Three dimensional and fractoscopic imagination about understanding the changing on earth is very important so we should imagine '8' as curved surface, sea floor spreading happened in maximum curvature of these surfaces. '8' formed from pair 'S' string with opposite direction. '8' oscillate in Pole-Pole and Side-Side direction and have saddle geometry with two 'U' path along perpendicular saddle (e.g. Lut/Jazmurian and Helmand/Mashkal basin in Iran actually intersection of this saddle shape with the earth surface and Iceland /Black Sea and CapeVerde/Victoria Lake are also In/Out (small scale polygon) of 'U' shape conduit which followed axial saddle of Side-'S-2' and Okhotsk Sea /Balkhash Lake followed axial saddle conduit of Pole-'S-2' actually intersection of this perpendicular conduit with surface make spot-like-lakes/volcanoes or basin. Global EM in Side-S-1 bounded compression region-TP inside and tension region-East African Rift offside).This is a interesting competing between two kinematic geometry - spherical and isometrical geometry by using the interaction of them we can analyze the earth face in past, present and future apart of the forces that cause this face. C-1 in two dimensional look like six sided big tent which speared over Tibet and main rod driven along GA. Pair S-1 curve. have seven component(fold) and six segment in between,S-7 exactly located on TP(center of S-1). Between two successive fold we have complex geology(e.g. eastern Iran and Afghanistan)mass dragged from North America and Siberian and accumulated gradually during six step in Earth Foundation(Tibet),S-7 bounded Takla Makan Desert (in smaller loop) and TP (in bigger loop) S-7 alter the earth balance and responsible for earth disturbing, another sample of 'S' curve we see around Australia and Kermadec/Tonga Trench, Aleutian ridge and Mackenzie Mt. and central Iran which are well obvious in topographic map, we find many samples converge in to this unified model.

  12. A preliminary study of the effects of handling type on horses' emotional reactivity and the human-horse relationship.

    PubMed

    Fureix, Carole; Pagès, Magali; Bon, Richard; Lassalle, Jean-Michel; Kuntz, Philippe; Gonzalez, Georges

    2009-10-01

    Handling is a crucial component of the human-horse relationship. Here, we report data from an experiment conducted to assess and compare the effect of two training methods. Two groups of six Welsh mares were trained during four sessions of 50 min, one handled with traditional exercises (halter leading, grooming/brushing, lifting feet, lunging and pseudo-saddling (using only girth and saddle pad) and the second group with natural horsemanship exercises (desensitization, yielding to body pressure, lunging and free-lunging). Emotional reactivity (ER) and the human-horse relationship (HHR) were assessed both prior to and following handling. A social isolation test, a neophobia test and a bridge test were used to assess ER. HHR was assessed through test of spontaneous approach to, and forced approach by, an unknown human. Horses' ER decreased after both types of handling as indicated by decreases in the occurrence of whinnying during stressful situations. Head movement (jerk/shake) was the most sensitive variable to handling type. In the spontaneous approach tests, horses in the traditional handling group showed higher latencies to approach a motionless person after handling than did the natural horsemanship group. Our study suggests that natural horsemanship exercises could be more efficient than traditional exercises for improving horses' HHR.

  13. A predator-prey model with a holling type I functional response including a predator mutual interference

    USGS Publications Warehouse

    Seo, G.; DeAngelis, D.L.

    2011-01-01

    The most widely used functional response in describing predator-prey relationships is the Holling type II functional response, where per capita predation is a smooth, increasing, and saturating function of prey density. Beddington and DeAngelis modified the Holling type II response to include interference of predators that increases with predator density. Here we introduce a predator-interference term into a Holling type I functional response. We explain the ecological rationale for the response and note that the phase plane configuration of the predator and prey isoclines differs greatly from that of the Beddington-DeAngelis response; for example, in having three possible interior equilibria rather than one. In fact, this new functional response seems to be quite unique. We used analytical and numerical methods to show that the resulting system shows a much richer dynamical behavior than the Beddington-DeAngelis response, or other typically used functional responses. For example, cyclic-fold, saddle-fold, homoclinic saddle connection, and multiple crossing bifurcations can all occur. We then use a smooth approximation to the Holling type I functional response with predator mutual interference to show that these dynamical properties do not result from the lack of smoothness, but rather from subtle differences in the functional responses. ?? 2011 Springer Science+Business Media, LLC.

  14. Dorsal Failures: From Saddle Deformity to Pollybeak.

    PubMed

    Hamilton, Grant S

    2018-06-01

    The nasal dorsum is an important component of a rhinoplasty and may be the primary motivation for seeking surgery. The nasal dorsum is a complex three-dimensional shape that is shrouded by local anesthetic and edema during surgery. This makes an accurate assessment of the surgical changes challenging. Complications related to dorsal modification include imbalances from over- or underresection of the structures of the nasal dorsum, inadequate or overaugmentation, an open-roof deformity, pollybeak, saddle nose, inverted-V, warped cartilage, visible grafts, contour problems, graft malposition, and extrusion. This review will discuss the common problems that can occur with dorsal modification during rhinoplasty. Thieme Medical Publishers 333 Seventh Avenue, New York, NY 10001, USA.

  15. Bifurcation of Limit Cycles in a Near-Hamiltonian System with a Cusp of Order Two and a Saddle

    NASA Astrophysics Data System (ADS)

    Bakhshalizadeh, Ali; Zangeneh, Hamid R. Z.; Kazemi, Rasool

    In this paper, the asymptotic expansion of first-order Melnikov function of a heteroclinic loop connecting a cusp of order two and a hyperbolic saddle for a planar near-Hamiltonian system is given. Next, we consider the limit cycle bifurcations of a hyper-elliptic Liénard system with this kind of heteroclinic loop and study the least upper bound of limit cycles bifurcated from the period annulus inside the heteroclinic loop, from the heteroclinic loop itself and the center. We find that at most three limit cycles can be bifurcated from the period annulus, also we present different distributions of bifurcated limit cycles.

  16. An investigation into the applicability of the semiempirical method PM7 for modeling the catalytic mechanism in the enzyme chymotrypsin.

    PubMed

    Stewart, James J P

    2017-05-01

    The catalytic cycle for the serine protease α-chymotrypsin was investigated in an attempt to determine the suitability of using the semiempirical method PM7 in the program MOPAC for investigating enzyme-catalyzed reactions. All six classical intermediates were modeled using standard methods, and were characterized as stable minima on the potential energy surface. Using a modified saddle point optimization method, five transition states were located and verified both by vibrational and by intrinsic reaction coordinate analysis. Some individual features, such as the hydrogen bonds in the oxyanion hole, the nature of various electrostatic interactions, and the role of Met192, were examined. This involved designing and running computational experiments to model mutations that would allow features of interest, in particular the energies involved, to be isolated. Three features within the enzyme were examined in detail: the reaction site itself, where covalent bonds were made and broken, the electrostatic effects of the buried aspartate anion, a passive but essential component of the catalytic triad, and the oxyanion hole, where hydrogen bonds help stabilize charged intermediates. With one minor exception, all phenomena investigated agreed with previously-reported descriptions. This result, along with the fact that all the techniques used were relatively straightforward, leads to the recommendation that PM7 and related methods, such as PM6-D3H4, are appropriate for modeling similar enzyme-catalyzed reactions. Graphical abstract Fifth of six transition states, showing water splitting into hydroxyl anion and a proton, to form the second tetrahedral intermediate and histidinium ion. Atoms of the water molecule involved in the hydrolysis are indicated by halos.

  17. Sequential memory: Binding dynamics

    NASA Astrophysics Data System (ADS)

    Afraimovich, Valentin; Gong, Xue; Rabinovich, Mikhail

    2015-10-01

    Temporal order memories are critical for everyday animal and human functioning. Experiments and our own experience show that the binding or association of various features of an event together and the maintaining of multimodality events in sequential order are the key components of any sequential memories—episodic, semantic, working, etc. We study a robustness of binding sequential dynamics based on our previously introduced model in the form of generalized Lotka-Volterra equations. In the phase space of the model, there exists a multi-dimensional binding heteroclinic network consisting of saddle equilibrium points and heteroclinic trajectories joining them. We prove here the robustness of the binding sequential dynamics, i.e., the feasibility phenomenon for coupled heteroclinic networks: for each collection of successive heteroclinic trajectories inside the unified networks, there is an open set of initial points such that the trajectory going through each of them follows the prescribed collection staying in a small neighborhood of it. We show also that the symbolic complexity function of the system restricted to this neighborhood is a polynomial of degree L - 1, where L is the number of modalities.

  18. Long-wave theory for a new convective instability with exponential growth normal to the wall.

    PubMed

    Healey, J J

    2005-05-15

    A linear stability theory is presented for the boundary-layer flow produced by an infinite disc rotating at constant angular velocity in otherwise undisturbed fluid. The theory is developed in the limit of long waves and when the effects of viscosity on the waves can be neglected. This is the parameter regime recently identified by the author in a numerical stability investigation where a curious new type of instability was found in which disturbances propagate and grow exponentially in the direction normal to the disc, (i.e. the growth takes place in a region of zero mean shear). The theory describes the mechanisms controlling the instability, the role and location of critical points, and presents a saddle-point analysis describing the large-time evolution of a wave packet in frames of reference moving normal to the disc. The theory also shows that the previously obtained numerical solutions for numerically large wavelengths do indeed lie in the asymptotic long-wave regime, and so the behaviour and mechanisms described here may apply to a number of cross-flow instability problems.

  19. Local spectrum analysis of field propagation in an anisotropic medium. Part II. Time-dependent fields.

    PubMed

    Tinkelman, Igor; Melamed, Timor

    2005-06-01

    In Part I of this two-part investigation [J. Opt. Soc. Am. A 22, 1200 (2005)], we presented a theory for phase-space propagation of time-harmonic electromagnetic fields in an anisotropic medium characterized by a generic wave-number profile. In this Part II, these investigations are extended to transient fields, setting a general analytical framework for local analysis and modeling of radiation from time-dependent extended-source distributions. In this formulation the field is expressed as a superposition of pulsed-beam propagators that emanate from all space-time points in the source domain and in all directions. Using time-dependent quadratic-Lorentzian windows, we represent the field by a phase-space spectral distribution in which the propagating elements are pulsed beams, which are formulated by a transient plane-wave spectrum over the extended-source plane. By applying saddle-point asymptotics, we extract the beam phenomenology in the anisotropic environment resulting from short-pulsed processing. Finally, the general results are applied to the special case of uniaxial crystal and compared with a reference solution.

  20. Sequential memory: Binding dynamics.

    PubMed

    Afraimovich, Valentin; Gong, Xue; Rabinovich, Mikhail

    2015-10-01

    Temporal order memories are critical for everyday animal and human functioning. Experiments and our own experience show that the binding or association of various features of an event together and the maintaining of multimodality events in sequential order are the key components of any sequential memories-episodic, semantic, working, etc. We study a robustness of binding sequential dynamics based on our previously introduced model in the form of generalized Lotka-Volterra equations. In the phase space of the model, there exists a multi-dimensional binding heteroclinic network consisting of saddle equilibrium points and heteroclinic trajectories joining them. We prove here the robustness of the binding sequential dynamics, i.e., the feasibility phenomenon for coupled heteroclinic networks: for each collection of successive heteroclinic trajectories inside the unified networks, there is an open set of initial points such that the trajectory going through each of them follows the prescribed collection staying in a small neighborhood of it. We show also that the symbolic complexity function of the system restricted to this neighborhood is a polynomial of degree L - 1, where L is the number of modalities.

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