Uniform quantized electron gas

NASA Astrophysics Data System (ADS)

Høye, Johan S.; Lomba, Enrique

2016-10-01

In this work we study the correlation energy of the quantized electron gas of uniform density at temperature T  =  0. To do so we utilize methods from classical statistical mechanics. The basis for this is the Feynman path integral for the partition function of quantized systems. With this representation the quantum mechanical problem can be interpreted as, and is equivalent to, a classical polymer problem in four dimensions where the fourth dimension is imaginary time. Thus methods, results, and properties obtained in the statistical mechanics of classical fluids can be utilized. From this viewpoint we recover the well known RPA (random phase approximation). Then to improve it we modify the RPA by requiring the corresponding correlation function to be such that electrons with equal spins can not be on the same position. Numerical evaluations are compared with well known results of a standard parameterization of Monte Carlo correlation energies.

Semiclassical propagation of Wigner functions.

PubMed

Dittrich, T; Gómez, E A; Pachón, L A

2010-06-07

We present a comprehensive study of semiclassical phase-space propagation in the Wigner representation, emphasizing numerical applications, in particular as an initial-value representation. Two semiclassical approximation schemes are discussed. The propagator of the Wigner function based on van Vleck's approximation replaces the Liouville propagator by a quantum spot with an oscillatory pattern reflecting the interference between pairs of classical trajectories. Employing phase-space path integration instead, caustics in the quantum spot are resolved in terms of Airy functions. We apply both to two benchmark models of nonlinear molecular potentials, the Morse oscillator and the quartic double well, to test them in standard tasks such as computing autocorrelation functions and propagating coherent states. The performance of semiclassical Wigner propagation is very good even in the presence of marked quantum effects, e.g., in coherent tunneling and in propagating Schrodinger cat states, and of classical chaos in four-dimensional phase space. We suggest options for an effective numerical implementation of our method and for integrating it in Monte-Carlo-Metropolis algorithms suitable for high-dimensional systems.

Impact of finite receiver-aperture size in a non-line-of-sight single-scatter propagation model.

PubMed

Elshimy, Mohamed A; Hranilovic, Steve

2011-12-01

In this paper, a single-scatter propagation model is developed that expands the classical model by considering a finite receiver-aperture size for non-line-of-sight communication. The expanded model overcomes some of the difficulties with the classical model, most notably, inaccuracies in scenarios with short range and low elevation angle where significant scattering takes place near the receiver. The developed model does not approximate the receiver aperture as a point, but uses its dimensions for both field-of-view and solid-angle computations. To verify the model, a Monte Carlo simulation of photon transport in a turbid medium is applied. Simulation results for temporal responses and path losses are presented at a wavelength of 260 nm that lies in the solar-blind ultraviolet region.

Master equations and the theory of stochastic path integrals

NASA Astrophysics Data System (ADS)

Weber, Markus F.; Frey, Erwin

2017-04-01

This review provides a pedagogic and self-contained introduction to master equations and to their representation by path integrals. Since the 1930s, master equations have served as a fundamental tool to understand the role of fluctuations in complex biological, chemical, and physical systems. Despite their simple appearance, analyses of master equations most often rely on low-noise approximations such as the Kramers-Moyal or the system size expansion, or require ad-hoc closure schemes for the derivation of low-order moment equations. We focus on numerical and analytical methods going beyond the low-noise limit and provide a unified framework for the study of master equations. After deriving the forward and backward master equations from the Chapman-Kolmogorov equation, we show how the two master equations can be cast into either of four linear partial differential equations (PDEs). Three of these PDEs are discussed in detail. The first PDE governs the time evolution of a generalized probability generating function whose basis depends on the stochastic process under consideration. Spectral methods, WKB approximations, and a variational approach have been proposed for the analysis of the PDE. The second PDE is novel and is obeyed by a distribution that is marginalized over an initial state. It proves useful for the computation of mean extinction times. The third PDE describes the time evolution of a ‘generating functional’, which generalizes the so-called Poisson representation. Subsequently, the solutions of the PDEs are expressed in terms of two path integrals: a ‘forward’ and a ‘backward’ path integral. Combined with inverse transformations, one obtains two distinct path integral representations of the conditional probability distribution solving the master equations. We exemplify both path integrals in analysing elementary chemical reactions. Moreover, we show how a well-known path integral representation of averaged observables can be recovered from them. Upon expanding the forward and the backward path integrals around stationary paths, we then discuss and extend a recent method for the computation of rare event probabilities. Besides, we also derive path integral representations for processes with continuous state spaces whose forward and backward master equations admit Kramers-Moyal expansions. A truncation of the backward expansion at the level of a diffusion approximation recovers a classic path integral representation of the (backward) Fokker-Planck equation. One can rewrite this path integral in terms of an Onsager-Machlup function and, for purely diffusive Brownian motion, it simplifies to the path integral of Wiener. To make this review accessible to a broad community, we have used the language of probability theory rather than quantum (field) theory and do not assume any knowledge of the latter. The probabilistic structures underpinning various technical concepts, such as coherent states, the Doi-shift, and normal-ordered observables, are thereby made explicit.

Master equations and the theory of stochastic path integrals.

PubMed

Weber, Markus F; Frey, Erwin

2017-04-01

This review provides a pedagogic and self-contained introduction to master equations and to their representation by path integrals. Since the 1930s, master equations have served as a fundamental tool to understand the role of fluctuations in complex biological, chemical, and physical systems. Despite their simple appearance, analyses of master equations most often rely on low-noise approximations such as the Kramers-Moyal or the system size expansion, or require ad-hoc closure schemes for the derivation of low-order moment equations. We focus on numerical and analytical methods going beyond the low-noise limit and provide a unified framework for the study of master equations. After deriving the forward and backward master equations from the Chapman-Kolmogorov equation, we show how the two master equations can be cast into either of four linear partial differential equations (PDEs). Three of these PDEs are discussed in detail. The first PDE governs the time evolution of a generalized probability generating function whose basis depends on the stochastic process under consideration. Spectral methods, WKB approximations, and a variational approach have been proposed for the analysis of the PDE. The second PDE is novel and is obeyed by a distribution that is marginalized over an initial state. It proves useful for the computation of mean extinction times. The third PDE describes the time evolution of a 'generating functional', which generalizes the so-called Poisson representation. Subsequently, the solutions of the PDEs are expressed in terms of two path integrals: a 'forward' and a 'backward' path integral. Combined with inverse transformations, one obtains two distinct path integral representations of the conditional probability distribution solving the master equations. We exemplify both path integrals in analysing elementary chemical reactions. Moreover, we show how a well-known path integral representation of averaged observables can be recovered from them. Upon expanding the forward and the backward path integrals around stationary paths, we then discuss and extend a recent method for the computation of rare event probabilities. Besides, we also derive path integral representations for processes with continuous state spaces whose forward and backward master equations admit Kramers-Moyal expansions. A truncation of the backward expansion at the level of a diffusion approximation recovers a classic path integral representation of the (backward) Fokker-Planck equation. One can rewrite this path integral in terms of an Onsager-Machlup function and, for purely diffusive Brownian motion, it simplifies to the path integral of Wiener. To make this review accessible to a broad community, we have used the language of probability theory rather than quantum (field) theory and do not assume any knowledge of the latter. The probabilistic structures underpinning various technical concepts, such as coherent states, the Doi-shift, and normal-ordered observables, are thereby made explicit.

Thermal helium clusters at 3.2 Kelvin in classical and semiclassical simulations

NASA Astrophysics Data System (ADS)

Schulte, J.

1993-03-01

The thermodynamic stability of4He4-13 at 3.2 K is investigated with the classical Monte Carlo method, with the semiclassical path-integral Monte Carlo (PIMC) method, and with the semiclassical all-order many-body method. In the all-order many-body simulation the dipole-dipole approximation including short-range correction is used. The resulting stability plots are discussed and related to recent TOF experiments by Stephens and King. It is found that with classical Monte Carlo of course the characteristics of the measured mass spectrum cannot be resolved. With PIMC, switching on more and more quantum mechanics. by raising the number of virtual time steps results in more structure in the stability plot, but this did not lead to sufficient agreement with the TOF experiment. Only the all-order many-body method resolved the characteristic structures of the measured mass spectrum, including magic numbers. The result shows the influence of quantum statistics and quantum mechanics on the stability of small neutral helium clusters.

Automated identification of OB associations in M31

NASA Technical Reports Server (NTRS)

Magnier, Eugene A.; Battinelli, Paolo; Lewin, Walter H. G.; Haiman, Zoltan; Paradijs, Jan Van; Hasinger, Guenther; Pietsch, Wolfgang; Supper, Rodrigo; Truemper, Joachim

1993-01-01

A new identification of OB associations in M31 has been performed using the Path Linkage Criterion (PLC) technique of Battinelli (1991). We found 174 associations with a very small contamination (less than 5%) by random clumps of stars. The expected total number and average size of OB associations in the region of M 31 covered by our data set (Magnier et al. 1992) are approximately 280 and approximately 90 pc, respectively. M31 associations therefore have sizes similar to those of OB associations observed in nearby galaxies, so that we can consider them to be classical OB associations. This list of OB associations will be used for the study of the spatial distribution of OB associations and their correlation with other objects. Taking into account the fact that we do not cover the entire disk of M31, we extrapolate a total number of association in M31 of approximately 420.

Upwind methods for the Baer–Nunziato equations and higher-order reconstruction using artificial viscosity

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

Fraysse, F., E-mail: francois.fraysse@rs2n.eu; E. T. S. de Ingeniería Aeronáutica y del Espacio, Universidad Politécnica de Madrid, Madrid; Redondo, C.

This article is devoted to the numerical discretisation of the hyperbolic two-phase flow model of Baer and Nunziato. A special attention is paid on the discretisation of intercell flux functions in the framework of Finite Volume and Discontinuous Galerkin approaches, where care has to be taken to efficiently approximate the non-conservative products inherent to the model equations. Various upwind approximate Riemann solvers have been tested on a bench of discontinuous test cases. New discretisation schemes are proposed in a Discontinuous Galerkin framework following the criterion of Abgrall and the path-conservative formalism. A stabilisation technique based on artificial viscosity is appliedmore » to the high-order Discontinuous Galerkin method and compared against classical TVD-MUSCL Finite Volume flux reconstruction.« less

Quantum circuit dynamics via path integrals: Is there a classical action for discrete-time paths?

NASA Astrophysics Data System (ADS)

Penney, Mark D.; Enshan Koh, Dax; Spekkens, Robert W.

2017-07-01

It is straightforward to compute the transition amplitudes of a quantum circuit using the sum-over-paths methodology when the gates in the circuit are balanced, where a balanced gate is one for which all non-zero transition amplitudes are of equal magnitude. Here we consider the question of whether, for such circuits, the relative phases of different discrete-time paths through the configuration space can be defined in terms of a classical action, as they are for continuous-time paths. We show how to do so for certain kinds of quantum circuits, namely, Clifford circuits where the elementary systems are continuous-variable systems or discrete systems of odd-prime dimension. These types of circuit are distinguished by having phase-space representations that serve to define their classical counterparts. For discrete systems, the phase-space coordinates are also discrete variables. We show that for each gate in the generating set, one can associate a symplectomorphism on the phase-space and to each of these one can associate a generating function, defined on two copies of the configuration space. For discrete systems, the latter association is achieved using tools from algebraic geometry. Finally, we show that if the action functional for a discrete-time path through a sequence of gates is defined using the sum of the corresponding generating functions, then it yields the correct relative phases for the path-sum expression. These results are likely to be relevant for quantizing physical theories where time is fundamentally discrete, characterizing the classical limit of discrete-time quantum dynamics, and proving complexity results for quantum circuits.

Efficient free energy calculations of quantum systems through computer simulations

NASA Astrophysics Data System (ADS)

Antonelli, Alex; Ramirez, Rafael; Herrero, Carlos; Hernandez, Eduardo

2009-03-01

In general, the classical limit is assumed in computer simulation calculations of free energy. This approximation, however, is not justifiable for a class of systems in which quantum contributions for the free energy cannot be neglected. The inclusion of quantum effects is important for the determination of reliable phase diagrams of these systems. In this work, we present a new methodology to compute the free energy of many-body quantum systems [1]. This methodology results from the combination of the path integral formulation of statistical mechanics and efficient non-equilibrium methods to estimate free energy, namely, the adiabatic switching and reversible scaling methods. A quantum Einstein crystal is used as a model to show the accuracy and reliability the methodology. This new method is applied to the calculation of solid-liquid coexistence properties of neon. Our findings indicate that quantum contributions to properties such as, melting point, latent heat of fusion, entropy of fusion, and slope of melting line can be up to 10% of the calculated values using the classical approximation. [1] R. M. Ramirez, C. P. Herrero, A. Antonelli, and E. R. Hernández, Journal of Chemical Physics 129, 064110 (2008)

Mixed quantum-classical electrodynamics: Understanding spontaneous decay and zero-point energy

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

Li, Tao E.; Nitzan, Abraham; Sukharev, Maxim

The dynamics of an electronic two-level system coupled to an electromagnetic field are simulated explicitly for one- and three-dimensional systems through semiclassical propagation of the Maxwell-Liouville equations. Here, we consider three flavors of mixed quantum-classical dynamics: (i) the classical path approximation (CPA), (ii) Ehrenfest dynamics, and (iii) symmetrical quasiclassical (SQC) dynamics. Our findings are as follows: (i) The CPA fails to recover a consistent description of spontaneous emission, (ii) a consistent “spontaneous” emission can be obtained from Ehrenfest dynamics, provided that one starts in an electronic superposition state, and (iii) spontaneous emission is always obtained using SQC dynamics. Using themore » SQC and Ehrenfest frameworks, we further calculate the dynamics following an incoming pulse, but here we find very different responses: SQC and Ehrenfest dynamics deviate sometimes strongly in the calculated rate of decay of the transient excited state. Nevertheless, our work confirms the earlier observations by Miller [J. Chem. Phys. 69, 2188 (1978)] that Ehrenfest dynamics can effectively describe some aspects of spontaneous emission and highlights interesting possibilities for studying light-matter interactions with semiclassical mechanics.« less

Mixed quantum-classical electrodynamics: Understanding spontaneous decay and zero-point energy

NASA Astrophysics Data System (ADS)

Li, Tao E.; Nitzan, Abraham; Sukharev, Maxim; Martinez, Todd; Chen, Hsing-Ta; Subotnik, Joseph E.

2018-03-01

The dynamics of an electronic two-level system coupled to an electromagnetic field are simulated explicitly for one- and three-dimensional systems through semiclassical propagation of the Maxwell-Liouville equations. We consider three flavors of mixed quantum-classical dynamics: (i) the classical path approximation (CPA), (ii) Ehrenfest dynamics, and (iii) symmetrical quasiclassical (SQC) dynamics. Our findings are as follows: (i) The CPA fails to recover a consistent description of spontaneous emission, (ii) a consistent "spontaneous" emission can be obtained from Ehrenfest dynamics, provided that one starts in an electronic superposition state, and (iii) spontaneous emission is always obtained using SQC dynamics. Using the SQC and Ehrenfest frameworks, we further calculate the dynamics following an incoming pulse, but here we find very different responses: SQC and Ehrenfest dynamics deviate sometimes strongly in the calculated rate of decay of the transient excited state. Nevertheless, our work confirms the earlier observations by Miller [J. Chem. Phys. 69, 2188 (1978), 10.1063/1.436793] that Ehrenfest dynamics can effectively describe some aspects of spontaneous emission and highlights interesting possibilities for studying light-matter interactions with semiclassical mechanics.

Mixed quantum-classical electrodynamics: Understanding spontaneous decay and zero-point energy

DOE PAGES

Li, Tao E.; Nitzan, Abraham; Sukharev, Maxim; ...

2018-03-12

The dynamics of an electronic two-level system coupled to an electromagnetic field are simulated explicitly for one- and three-dimensional systems through semiclassical propagation of the Maxwell-Liouville equations. Here, we consider three flavors of mixed quantum-classical dynamics: (i) the classical path approximation (CPA), (ii) Ehrenfest dynamics, and (iii) symmetrical quasiclassical (SQC) dynamics. Our findings are as follows: (i) The CPA fails to recover a consistent description of spontaneous emission, (ii) a consistent “spontaneous” emission can be obtained from Ehrenfest dynamics, provided that one starts in an electronic superposition state, and (iii) spontaneous emission is always obtained using SQC dynamics. Using themore » SQC and Ehrenfest frameworks, we further calculate the dynamics following an incoming pulse, but here we find very different responses: SQC and Ehrenfest dynamics deviate sometimes strongly in the calculated rate of decay of the transient excited state. Nevertheless, our work confirms the earlier observations by Miller [J. Chem. Phys. 69, 2188 (1978)] that Ehrenfest dynamics can effectively describe some aspects of spontaneous emission and highlights interesting possibilities for studying light-matter interactions with semiclassical mechanics.« less

Diagrammar in classical scalar field theory

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

Cattaruzza, E., E-mail: Enrico.Cattaruzza@gmail.com; Gozzi, E., E-mail: gozzi@ts.infn.it; INFN, Sezione di Trieste

2011-09-15

In this paper we analyze perturbatively a g{phi}{sup 4}classical field theory with and without temperature. In order to do that, we make use of a path-integral approach developed some time ago for classical theories. It turns out that the diagrams appearing at the classical level are many more than at the quantum level due to the presence of extra auxiliary fields in the classical formalism. We shall show that a universal supersymmetry present in the classical path-integral mentioned above is responsible for the cancelation of various diagrams. The same supersymmetry allows the introduction of super-fields and super-diagrams which considerably simplifymore » the calculations and make the classical perturbative calculations almost 'identical' formally to the quantum ones. Using the super-diagrams technique, we develop the classical perturbation theory up to third order. We conclude the paper with a perturbative check of the fluctuation-dissipation theorem. - Highlights: > We provide the Feynman diagrams of perturbation theory for a classical field theory. > We give a super-formalism which links the quantum diagrams to the classical ones. > We check perturbatively the fluctuation-dissipation theorem.« less

Path integral approach to the Wigner representation of canonical density operators for discrete systems coupled to harmonic baths.

PubMed

Montoya-Castillo, Andrés; Reichman, David R

2017-01-14

We derive a semi-analytical form for the Wigner transform for the canonical density operator of a discrete system coupled to a harmonic bath based on the path integral expansion of the Boltzmann factor. The introduction of this simple and controllable approach allows for the exact rendering of the canonical distribution and permits systematic convergence of static properties with respect to the number of path integral steps. In addition, the expressions derived here provide an exact and facile interface with quasi- and semi-classical dynamical methods, which enables the direct calculation of equilibrium time correlation functions within a wide array of approaches. We demonstrate that the present method represents a practical path for the calculation of thermodynamic data for the spin-boson and related systems. We illustrate the power of the present approach by detailing the improvement of the quality of Ehrenfest theory for the correlation function C zz (t)=Re⟨σ z (0)σ z (t)⟩ for the spin-boson model with systematic convergence to the exact sampling function. Importantly, the numerically exact nature of the scheme presented here and its compatibility with semiclassical methods allows for the systematic testing of commonly used approximations for the Wigner-transformed canonical density.

A reductionist perspective on quantum statistical mechanics: Coarse-graining of path integrals

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

Sinitskiy, Anton V.; Voth, Gregory A., E-mail: gavoth@uchicago.edu

2015-09-07

Computational modeling of the condensed phase based on classical statistical mechanics has been rapidly developing over the last few decades and has yielded important information on various systems containing up to millions of atoms. However, if a system of interest contains important quantum effects, well-developed classical techniques cannot be used. One way of treating finite temperature quantum systems at equilibrium has been based on Feynman’s imaginary time path integral approach and the ensuing quantum-classical isomorphism. This isomorphism is exact only in the limit of infinitely many classical quasiparticles representing each physical quantum particle. In this work, we present a reductionistmore » perspective on this problem based on the emerging methodology of coarse-graining. This perspective allows for the representations of one quantum particle with only two classical-like quasiparticles and their conjugate momenta. One of these coupled quasiparticles is the centroid particle of the quantum path integral quasiparticle distribution. Only this quasiparticle feels the potential energy function. The other quasiparticle directly provides the observable averages of quantum mechanical operators. The theory offers a simplified perspective on quantum statistical mechanics, revealing its most reductionist connection to classical statistical physics. By doing so, it can facilitate a simpler representation of certain quantum effects in complex molecular environments.« less

A reductionist perspective on quantum statistical mechanics: Coarse-graining of path integrals.

PubMed

Sinitskiy, Anton V; Voth, Gregory A

2015-09-07

Computational modeling of the condensed phase based on classical statistical mechanics has been rapidly developing over the last few decades and has yielded important information on various systems containing up to millions of atoms. However, if a system of interest contains important quantum effects, well-developed classical techniques cannot be used. One way of treating finite temperature quantum systems at equilibrium has been based on Feynman's imaginary time path integral approach and the ensuing quantum-classical isomorphism. This isomorphism is exact only in the limit of infinitely many classical quasiparticles representing each physical quantum particle. In this work, we present a reductionist perspective on this problem based on the emerging methodology of coarse-graining. This perspective allows for the representations of one quantum particle with only two classical-like quasiparticles and their conjugate momenta. One of these coupled quasiparticles is the centroid particle of the quantum path integral quasiparticle distribution. Only this quasiparticle feels the potential energy function. The other quasiparticle directly provides the observable averages of quantum mechanical operators. The theory offers a simplified perspective on quantum statistical mechanics, revealing its most reductionist connection to classical statistical physics. By doing so, it can facilitate a simpler representation of certain quantum effects in complex molecular environments.

Semiclassical propagator of the Wigner function.

PubMed

Dittrich, Thomas; Viviescas, Carlos; Sandoval, Luis

2006-02-24

Propagation of the Wigner function is studied on two levels of semiclassical propagation: one based on the Van Vleck propagator, the other on phase-space path integration. Leading quantum corrections to the classical Liouville propagator take the form of a time-dependent quantum spot. Its oscillatory structure depends on whether the underlying classical flow is elliptic or hyperbolic. It can be interpreted as the result of interference of a pair of classical trajectories, indicating how quantum coherences are to be propagated semiclassically in phase space. The phase-space path-integral approach allows for a finer resolution of the quantum spot in terms of Airy functions.

Quantum gravity in timeless configuration space

NASA Astrophysics Data System (ADS)

Gomes, Henrique

2017-12-01

On the path towards quantum gravity we find friction between temporal relations in quantum mechanics (QM) (where they are fixed and field-independent), and in general relativity (where they are field-dependent and dynamic). This paper aims to attenuate that friction, by encoding gravity in the timeless configuration space of spatial fields with dynamics given by a path integral. The framework demands that boundary conditions for this path integral be uniquely given, but unlike other approaches where they are prescribed—such as the no-boundary and the tunneling proposals—here I postulate basic principles to identify boundary conditions in a large class of theories. Uniqueness arises only if a reduced configuration space can be defined and if it has a profoundly asymmetric fundamental structure. These requirements place strong restrictions on the field and symmetry content of theories encompassed here; shape dynamics is one such theory. When these constraints are met, any emerging theory will have a Born rule given merely by a particular volume element built from the path integral in (reduced) configuration space. Also as in other boundary proposals, Time, including space-time, emerges as an effective concept; valid for certain curves in configuration space but not assumed from the start. When some such notion of time becomes available, conservation of (positive) probability currents ensues. I show that, in the appropriate limits, a Schrödinger equation dictates the evolution of weakly coupled source fields on a classical gravitational background. Due to the asymmetry of reduced configuration space, these probabilities and currents avoid a known difficulty of standard WKB approximations for Wheeler DeWitt in minisuperspace: the selection of a unique Hamilton–Jacobi solution to serve as background. I illustrate these constructions with a simple example of a full quantum gravitational theory (i.e. not in minisuperspace) for which the formalism is applicable, and give a formula for calculating gravitational semi-classical relative probabilities in it.

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

Riemann surfaces of complex classical trajectories and tunnelling splitting in one-dimensional systems

NASA Astrophysics Data System (ADS)

Harada, Hiromitsu; Mouchet, Amaury; Shudo, Akira

2017-10-01

The topology of complex classical paths is investigated to discuss quantum tunnelling splittings in one-dimensional systems. Here the Hamiltonian is assumed to be given as polynomial functions, so the fundamental group for the Riemann surface provides complete information on the topology of complex paths, which allows us to enumerate all the possible candidates contributing to the semiclassical sum formula for tunnelling splittings. This naturally leads to action relations among classically disjoined regions, revealing entirely non-local nature in the quantization condition. The importance of the proper treatment of Stokes phenomena is also discussed in Hamiltonians in the normal form.

Another Look at the Mechanisms of Hydride Transfer Enzymes with Quantum and Classical Transition Path Sampling.

PubMed

Dzierlenga, Michael W; Antoniou, Dimitri; Schwartz, Steven D

2015-04-02

The mechanisms involved in enzymatic hydride transfer have been studied for years, but questions remain due, in part, to the difficulty of probing the effects of protein motion and hydrogen tunneling. In this study, we use transition path sampling (TPS) with normal mode centroid molecular dynamics (CMD) to calculate the barrier to hydride transfer in yeast alcohol dehydrogenase (YADH) and human heart lactate dehydrogenase (LDH). Calculation of the work applied to the hydride allowed for observation of the change in barrier height upon inclusion of quantum dynamics. Similar calculations were performed using deuterium as the transferring particle in order to approximate kinetic isotope effects (KIEs). The change in barrier height in YADH is indicative of a zero-point energy (ZPE) contribution and is evidence that catalysis occurs via a protein compression that mediates a near-barrierless hydride transfer. Calculation of the KIE using the difference in barrier height between the hydride and deuteride agreed well with experimental results.

Ab initio molecular dynamics with nuclear quantum effects at classical cost: Ring polymer contraction for density functional theory.

PubMed

Marsalek, Ondrej; Markland, Thomas E

2016-02-07

Path integral molecular dynamics simulations, combined with an ab initio evaluation of interactions using electronic structure theory, incorporate the quantum mechanical nature of both the electrons and nuclei, which are essential to accurately describe systems containing light nuclei. However, path integral simulations have traditionally required a computational cost around two orders of magnitude greater than treating the nuclei classically, making them prohibitively costly for most applications. Here we show that the cost of path integral simulations can be dramatically reduced by extending our ring polymer contraction approach to ab initio molecular dynamics simulations. By using density functional tight binding as a reference system, we show that our ring polymer contraction scheme gives rapid and systematic convergence to the full path integral density functional theory result. We demonstrate the efficiency of this approach in ab initio simulations of liquid water and the reactive protonated and deprotonated water dimer systems. We find that the vast majority of the nuclear quantum effects are accurately captured using contraction to just the ring polymer centroid, which requires the same number of density functional theory calculations as a classical simulation. Combined with a multiple time step scheme using the same reference system, which allows the time step to be increased, this approach is as fast as a typical classical ab initio molecular dynamics simulation and 35× faster than a full path integral calculation, while still exactly including the quantum sampling of nuclei. This development thus offers a route to routinely include nuclear quantum effects in ab initio molecular dynamics simulations at negligible computational cost.

Short-Path Statistics and the Diffusion Approximation

NASA Astrophysics Data System (ADS)

Blanco, Stéphane; Fournier, Richard

2006-12-01

In the field of first return time statistics in bounded domains, short paths may be defined as those paths for which the diffusion approximation is inappropriate. This is at the origin of numerous open questions concerning the characterization of residence time distributions. We show here how general integral constraints can be derived that make it possible to address short-path statistics indirectly by application of the diffusion approximation to long paths. Application to the moments of the distribution at the low-Knudsen limit leads to simple practical results and novel physical pictures.

Path integrals and the WKB approximation in loop quantum cosmology

NASA Astrophysics Data System (ADS)

Ashtekar, Abhay; Campiglia, Miguel; Henderson, Adam

2010-12-01

We follow the Feynman procedure to obtain a path integral formulation of loop quantum cosmology starting from the Hilbert space framework. Quantum geometry effects modify the weight associated with each path so that the effective measure on the space of paths is different from that used in the Wheeler-DeWitt theory. These differences introduce some conceptual subtleties in arriving at the WKB approximation. But the approximation is well defined and provides intuition for the differences between loop quantum cosmology and the Wheeler-DeWitt theory from a path integral perspective.

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

Weinstein, Marvin; /SLAC

It is apparent to anyone who thinks about it that, to a large degree, the basic concepts of Newtonian physics are quite intuitive, but quantum mechanics is not. My purpose in this talk is to introduce you to a new, much more intuitive way to understand how quantum mechanics works. I begin with an incredibly easy way to derive the time evolution of a Gaussian wave-packet for the case free and harmonic motion without any need to know the eigenstates of the Hamiltonian. This discussion is completely analytic and I will later use it to relate the solution for themore » behavior of the Gaussian packet to the Feynman path-integral and stationary phase approximation. It will be clear that using the information about the evolution of the Gaussian in this way goes far beyond what the stationary phase approximation tells us. Next, I introduce the concept of the bucket brigade approach to dealing with problems that cannot be handled totally analytically. This approach combines the intuition obtained in the initial discussion, as well as the intuition obtained from the path-integral, with simple numerical tools. My goal is to show that, for any specific process, there is a simple Hilbert space interpretation of the stationary phase approximation. I will then argue that, from the point of view of numerical approximations, the trajectory obtained from my generalization of the stationary phase approximation specifies that subspace of the full Hilbert space that is needed to compute the time evolution of the particular state under the full Hamiltonian. The prescription I will give is totally non-perturbative and we will see, by the grace of Maple animations computed for the case of the anharmonic oscillator Hamiltonian, that this approach allows surprisingly accurate computations to be performed with very little work. I think of this approach to the path-integral as defining what I call a guided numerical approximation scheme. After the discussion of the anharmonic oscillator I will turn to tunneling problems and show that the instanton can also be though of in the same way. I will do this for the classic problem of a double well potential in the extreme limit when the splitting between the two lowest levels is extremely small and the tunneling rate from one well to another is also very small.« less

Classical Control System Design: A non-Graphical Method for Finding the Exact System Parameters

NASA Astrophysics Data System (ADS)

Hussein, Mohammed Tawfik

2008-06-01

The Root Locus method of control system design was developed in the 1940's. It is a set of rules that helps in sketching the path traced by the roots of the closed loop characteristic equation of the system, as a parameter such as a controller gain, k, is varied. The procedure provides approximate sketching guidelines. Designs on control systems using the method are therefore not exact. This paper aims at a non-graphical method for finding the exact system parameters to place a pair of complex conjugate poles on a specified damping ratio line. The overall procedure is based on the exact solution of complex equations on the PC using numerical methods.

Tunable quantum interference in a 3D integrated circuit.

PubMed

Chaboyer, Zachary; Meany, Thomas; Helt, L G; Withford, Michael J; Steel, M J

2015-04-27

Integrated photonics promises solutions to questions of stability, complexity, and size in quantum optics. Advances in tunable and non-planar integrated platforms, such as laser-inscribed photonics, continue to bring the realisation of quantum advantages in computation and metrology ever closer, perhaps most easily seen in multi-path interferometry. Here we demonstrate control of two-photon interference in a chip-scale 3D multi-path interferometer, showing a reduced periodicity and enhanced visibility compared to single photon measurements. Observed non-classical visibilities are widely tunable, and explained well by theoretical predictions based on classical measurements. With these predictions we extract Fisher information approaching a theoretical maximum. Our results open a path to quantum enhanced phase measurements.

Effect of non-classical current paths in networks of 1-dimensional wires

NASA Astrophysics Data System (ADS)

Echternach, P. M.; Mikhalchuk, A. G.; Bozler, H. M.; Gershenson, M. E.; Bogdanov, A. L.; Nilsson, B.

1996-04-01

At low temperatures, the quantum corrections to the resistance due to weak localization and electron-electron interaction are affected by the shape and topology of samples. We observed these effects in the resistance of 2D percolation networks made from 1D wires and in a series of long 1D wires with regularly spaced side branches. Branches outside the classical current path strongly reduce the quantum corrections to the resistance and these reductions become a measure of the quantum lengths.

Experimental cancellation of aberrations in intensity correlation in classical optics

NASA Astrophysics Data System (ADS)

Jesus-Silva, A. J.; Silva, Juarez G.; Monken, C. H.; Fonseca, E. J. S.

2018-01-01

We study the classical correlation function of spatially incoherent beams with a phase aberration in the beam path. On the basis of our experimental measurements and in the optical coherence theory, we show that the effects of phase disturbances, independently of their kind and without need of coordinate inversion, can be canceled out if the same phase is aligned in the signal and reference beam path. These results can be useful for imaging and microscopy through random media.

Real-time dynamics of matrix quantum mechanics beyond the classical approximation

NASA Astrophysics Data System (ADS)

Buividovich, Pavel; Hanada, Masanori; Schäfer, Andreas

2018-03-01

We describe a numerical method which allows to go beyond the classical approximation for the real-time dynamics of many-body systems by approximating the many-body Wigner function by the most general Gaussian function with time-dependent mean and dispersion. On a simple example of a classically chaotic system with two degrees of freedom we demonstrate that this Gaussian state approximation is accurate for significantly smaller field strengths and longer times than the classical one. Applying this approximation to matrix quantum mechanics, we demonstrate that the quantum Lyapunov exponents are in general smaller than their classical counterparts, and even seem to vanish below some temperature. This behavior resembles the finite-temperature phase transition which was found for this system in Monte-Carlo simulations, and ensures that the system does not violate the Maldacena-Shenker-Stanford bound λL < 2πT, which inevitably happens for classical dynamics at sufficiently small temperatures.

Properties of the Boltzmann equation in the classical approximation

DOE PAGES

Epelbaum, Thomas; Gelis, François; Tanji, Naoto; ...

2014-12-30

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

An open-chain imaginary-time path-integral sampling approach to the calculation of approximate symmetrized quantum time correlation functions.

PubMed

Cendagorta, Joseph R; Bačić, Zlatko; Tuckerman, Mark E

2018-03-14

We introduce a scheme for approximating quantum time correlation functions numerically within the Feynman path integral formulation. Starting with the symmetrized version of the correlation function expressed as a discretized path integral, we introduce a change of integration variables often used in the derivation of trajectory-based semiclassical methods. In particular, we transform to sum and difference variables between forward and backward complex-time propagation paths. Once the transformation is performed, the potential energy is expanded in powers of the difference variables, which allows us to perform the integrals over these variables analytically. The manner in which this procedure is carried out results in an open-chain path integral (in the remaining sum variables) with a modified potential that is evaluated using imaginary-time path-integral sampling rather than requiring the generation of a large ensemble of trajectories. Consequently, any number of path integral sampling schemes can be employed to compute the remaining path integral, including Monte Carlo, path-integral molecular dynamics, or enhanced path-integral molecular dynamics. We believe that this approach constitutes a different perspective in semiclassical-type approximations to quantum time correlation functions. Importantly, we argue that our approximation can be systematically improved within a cumulant expansion formalism. We test this approximation on a set of one-dimensional problems that are commonly used to benchmark approximate quantum dynamical schemes. We show that the method is at least as accurate as the popular ring-polymer molecular dynamics technique and linearized semiclassical initial value representation for correlation functions of linear operators in most of these examples and improves the accuracy of correlation functions of nonlinear operators.

An open-chain imaginary-time path-integral sampling approach to the calculation of approximate symmetrized quantum time correlation functions

NASA Astrophysics Data System (ADS)

Cendagorta, Joseph R.; Bačić, Zlatko; Tuckerman, Mark E.

2018-03-01

We introduce a scheme for approximating quantum time correlation functions numerically within the Feynman path integral formulation. Starting with the symmetrized version of the correlation function expressed as a discretized path integral, we introduce a change of integration variables often used in the derivation of trajectory-based semiclassical methods. In particular, we transform to sum and difference variables between forward and backward complex-time propagation paths. Once the transformation is performed, the potential energy is expanded in powers of the difference variables, which allows us to perform the integrals over these variables analytically. The manner in which this procedure is carried out results in an open-chain path integral (in the remaining sum variables) with a modified potential that is evaluated using imaginary-time path-integral sampling rather than requiring the generation of a large ensemble of trajectories. Consequently, any number of path integral sampling schemes can be employed to compute the remaining path integral, including Monte Carlo, path-integral molecular dynamics, or enhanced path-integral molecular dynamics. We believe that this approach constitutes a different perspective in semiclassical-type approximations to quantum time correlation functions. Importantly, we argue that our approximation can be systematically improved within a cumulant expansion formalism. We test this approximation on a set of one-dimensional problems that are commonly used to benchmark approximate quantum dynamical schemes. We show that the method is at least as accurate as the popular ring-polymer molecular dynamics technique and linearized semiclassical initial value representation for correlation functions of linear operators in most of these examples and improves the accuracy of correlation functions of nonlinear operators.

Ab initio molecular dynamics with nuclear quantum effects at classical cost: Ring polymer contraction for density functional theory

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

Marsalek, Ondrej; Markland, Thomas E., E-mail: tmarkland@stanford.edu

Path integral molecular dynamics simulations, combined with an ab initio evaluation of interactions using electronic structure theory, incorporate the quantum mechanical nature of both the electrons and nuclei, which are essential to accurately describe systems containing light nuclei. However, path integral simulations have traditionally required a computational cost around two orders of magnitude greater than treating the nuclei classically, making them prohibitively costly for most applications. Here we show that the cost of path integral simulations can be dramatically reduced by extending our ring polymer contraction approach to ab initio molecular dynamics simulations. By using density functional tight binding asmore » a reference system, we show that our ring polymer contraction scheme gives rapid and systematic convergence to the full path integral density functional theory result. We demonstrate the efficiency of this approach in ab initio simulations of liquid water and the reactive protonated and deprotonated water dimer systems. We find that the vast majority of the nuclear quantum effects are accurately captured using contraction to just the ring polymer centroid, which requires the same number of density functional theory calculations as a classical simulation. Combined with a multiple time step scheme using the same reference system, which allows the time step to be increased, this approach is as fast as a typical classical ab initio molecular dynamics simulation and 35× faster than a full path integral calculation, while still exactly including the quantum sampling of nuclei. This development thus offers a route to routinely include nuclear quantum effects in ab initio molecular dynamics simulations at negligible computational cost.« less

Path integral Monte Carlo and the electron gas

NASA Astrophysics Data System (ADS)

Brown, Ethan W.

Path integral Monte Carlo is a proven method for accurately simulating quantum mechanical systems at finite-temperature. By stochastically sampling Feynman's path integral representation of the quantum many-body density matrix, path integral Monte Carlo includes non-perturbative effects like thermal fluctuations and particle correlations in a natural way. Over the past 30 years, path integral Monte Carlo has been successfully employed to study the low density electron gas, high-pressure hydrogen, and superfluid helium. For systems where the role of Fermi statistics is important, however, traditional path integral Monte Carlo simulations have an exponentially decreasing efficiency with decreased temperature and increased system size. In this thesis, we work towards improving this efficiency, both through approximate and exact methods, as specifically applied to the homogeneous electron gas. We begin with a brief overview of the current state of atomic simulations at finite-temperature before we delve into a pedagogical review of the path integral Monte Carlo method. We then spend some time discussing the one major issue preventing exact simulation of Fermi systems, the sign problem. Afterwards, we introduce a way to circumvent the sign problem in PIMC simulations through a fixed-node constraint. We then apply this method to the homogeneous electron gas at a large swatch of densities and temperatures in order to map out the warm-dense matter regime. The electron gas can be a representative model for a host of real systems, from simple medals to stellar interiors. However, its most common use is as input into density functional theory. To this end, we aim to build an accurate representation of the electron gas from the ground state to the classical limit and examine its use in finite-temperature density functional formulations. The latter half of this thesis focuses on possible routes beyond the fixed-node approximation. As a first step, we utilize the variational principle inherent in the path integral Monte Carlo method to optimize the nodal surface. By using a ansatz resembling a free particle density matrix, we make a unique connection between a nodal effective mass and the traditional effective mass of many-body quantum theory. We then propose and test several alternate nodal ansatzes and apply them to single atomic systems. Finally, we propose a method to tackle the sign problem head on, by leveraging the relatively simple structure of permutation space. Using this method, we find we can perform exact simulations this of the electron gas and 3He that were previously impossible.

Quantum phase uncertainties in the classical limit

NASA Technical Reports Server (NTRS)

Franson, James D.

1994-01-01

Several sources of phase noise, including spontaneous emission noise and the loss of coherence due to which-path information, are examined in the classical limit of high field intensities. Although the origin of these effects may appear to be quantum-mechanical in nature, it is found that classical analogies for these effects exist in the form of chaos.

Allele Age Under Non-Classical Assumptions is Clarified by an Exact Computational Markov Chain Approach.

PubMed

De Sanctis, Bianca; Krukov, Ivan; de Koning, A P Jason

2017-09-19

Determination of the age of an allele based on its population frequency is a well-studied problem in population genetics, for which a variety of approximations have been proposed. We present a new result that, surprisingly, allows the expectation and variance of allele age to be computed exactly (within machine precision) for any finite absorbing Markov chain model in a matter of seconds. This approach makes none of the classical assumptions (e.g., weak selection, reversibility, infinite sites), exploits modern sparse linear algebra techniques, integrates over all sample paths, and is rapidly computable for Wright-Fisher populations up to N e  = 100,000. With this approach, we study the joint effect of recurrent mutation, dominance, and selection, and demonstrate new examples of "selective strolls" where the classical symmetry of allele age with respect to selection is violated by weakly selected alleles that are older than neutral alleles at the same frequency. We also show evidence for a strong age imbalance, where rare deleterious alleles are expected to be substantially older than advantageous alleles observed at the same frequency when population-scaled mutation rates are large. These results highlight the under-appreciated utility of computational methods for the direct analysis of Markov chain models in population genetics.

Pseudo-random tool paths for CNC sub-aperture polishing and other applications.

PubMed

Dunn, Christina R; Walker, David D

2008-11-10

In this paper we first contrast classical and CNC polishing techniques in regard to the repetitiveness of the machine motions. We then present a pseudo-random tool path for use with CNC sub-aperture polishing techniques and report polishing results from equivalent random and raster tool-paths. The random tool-path used - the unicursal random tool-path - employs a random seed to generate a pattern which never crosses itself. Because of this property, this tool-path is directly compatible with dwell time maps for corrective polishing. The tool-path can be used to polish any continuous area of any boundary shape, including surfaces with interior perforations.

Path integrals, supersymmetric quantum mechanics, and the Atiyah-Singer index theorem for twisted Dirac

NASA Astrophysics Data System (ADS)

Fine, Dana S.; Sawin, Stephen

2017-01-01

Feynman's time-slicing construction approximates the path integral by a product, determined by a partition of a finite time interval, of approximate propagators. This paper formulates general conditions to impose on a short-time approximation to the propagator in a general class of imaginary-time quantum mechanics on a Riemannian manifold which ensure that these products converge. The limit defines a path integral which agrees pointwise with the heat kernel for a generalized Laplacian. The result is a rigorous construction of the propagator for supersymmetric quantum mechanics, with potential, as a path integral. Further, the class of Laplacians includes the square of the twisted Dirac operator, which corresponds to an extension of N = 1/2 supersymmetric quantum mechanics. General results on the rate of convergence of the approximate path integrals suffice in this case to derive the local version of the Atiyah-Singer index theorem.

Blocking performance approximation in flexi-grid networks

NASA Astrophysics Data System (ADS)

Ge, Fei; Tan, Liansheng

2016-12-01

The blocking probability to the path requests is an important issue in flexible bandwidth optical communications. In this paper, we propose a blocking probability approximation method of path requests in flexi-grid networks. It models the bundled neighboring carrier allocation with a group of birth-death processes and provides a theoretical analysis to the blocking probability under variable bandwidth traffic. The numerical results show the effect of traffic parameters to the blocking probability of path requests. We use the first fit algorithm in network nodes to allocate neighboring carriers to path requests in simulations, and verify approximation results.

Enzymatic Kinetic Isotope Effects from Path-Integral Free Energy Perturbation Theory.

PubMed

Gao, J

2016-01-01

Path-integral free energy perturbation (PI-FEP) theory is presented to directly determine the ratio of quantum mechanical partition functions of different isotopologs in a single simulation. Furthermore, a double averaging strategy is used to carry out the practical simulation, separating the quantum mechanical path integral exactly into two separate calculations, one corresponding to a classical molecular dynamics simulation of the centroid coordinates, and another involving free-particle path-integral sampling over the classical, centroid positions. An integrated centroid path-integral free energy perturbation and umbrella sampling (PI-FEP/UM, or simply, PI-FEP) method along with bisection sampling was summarized, which provides an accurate and fast convergent method for computing kinetic isotope effects for chemical reactions in solution and in enzymes. The PI-FEP method is illustrated by a number of applications, to highlight the computational precision and accuracy, the rule of geometrical mean in kinetic isotope effects, enhanced nuclear quantum effects in enzyme catalysis, and protein dynamics on temperature dependence of kinetic isotope effects. © 2016 Elsevier Inc. All rights reserved.

Huygens-Fresnel principle: Analyzing consistency at the photon level

NASA Astrophysics Data System (ADS)

Santos, Elkin A.; Castro, Ferney; Torres, Rafael

2018-04-01

Typically the use of the Rayleigh-Sommerfeld diffraction formula as a photon propagator is widely accepted due to the abundant experimental evidence that suggests that it works. However, a direct link between the propagation of the electromagnetic field in classical optics and the propagation of photons where the square of the probability amplitude describes the transverse probability of the photon detection is still an issue to be clarified. We develop a mathematical formulation for the photon propagation using the formalism of electromagnetic field quantization and the path-integral method, whose main feature is its similarity with a fractional Fourier transform (FRFT). Here we show that because of the close relation existing between the FRFT and the Fresnel diffraction integral, this propagator can be written as a Fresnel diffraction, which brings forward a discussion of the fundamental character of it at the photon level compared to the Huygens-Fresnel principle. Finally, we carry out an experiment of photon counting by a rectangular slit supporting the result that the diffraction phenomenon in the Fresnel approximation behaves as the actual classical limit.

Common-path interference and oscillatory Zener tunneling in bilayer graphene p-n junctions

PubMed Central

Nandkishore, Rahul; Levitov, Leonid

2011-01-01

Interference and tunneling are two signature quantum effects that are often perceived as the yin and yang of quantum mechanics: a particle simultaneously propagating along several distinct classical paths versus a particle penetrating through a classically inaccessible region via a single least-action path. Here we demonstrate that the Dirac quasiparticles in graphene provide a dramatic departure from this paradigm. We show that Zener tunneling in gapped bilayer graphene, which governs transport through p-n heterojunctions, exhibits common-path interference that takes place under the tunnel barrier. Due to a symmetry peculiar to the gapped bilayer graphene bandstructure, interfering tunneling paths form conjugate pairs, giving rise to high-contrast oscillations in transmission as a function of the gate-tunable bandgap and other control parameters of the junction. The common-path interference is solely due to forward-propagating waves; in contrast to Fabry–Pérot-type interference in resonant-tunneling structures, it does not rely on multiple backscattering. The oscillations manifest themselves in the junction I–V characteristic as N-shaped branches with negative differential conductivity. The negative dI/dV, which arises solely due to under-barrier interference, can enable new high-speed active-circuit devices with architectures that are not available in electronic semiconductor devices. PMID:21825159

Dynamic Network-Based Epistasis Analysis: Boolean Examples

PubMed Central

Azpeitia, Eugenio; Benítez, Mariana; Padilla-Longoria, Pablo; Espinosa-Soto, Carlos; Alvarez-Buylla, Elena R.

2011-01-01

In this article we focus on how the hierarchical and single-path assumptions of epistasis analysis can bias the inference of gene regulatory networks. Here we emphasize the critical importance of dynamic analyses, and specifically illustrate the use of Boolean network models. Epistasis in a broad sense refers to gene interactions, however, as originally proposed by Bateson, epistasis is defined as the blocking of a particular allelic effect due to the effect of another allele at a different locus (herein, classical epistasis). Classical epistasis analysis has proven powerful and useful, allowing researchers to infer and assign directionality to gene interactions. As larger data sets are becoming available, the analysis of classical epistasis is being complemented with computer science tools and system biology approaches. We show that when the hierarchical and single-path assumptions are not met in classical epistasis analysis, the access to relevant information and the correct inference of gene interaction topologies is hindered, and it becomes necessary to consider the temporal dynamics of gene interactions. The use of dynamical networks can overcome these limitations. We particularly focus on the use of Boolean networks that, like classical epistasis analysis, relies on logical formalisms, and hence can complement classical epistasis analysis and relax its assumptions. We develop a couple of theoretical examples and analyze them from a dynamic Boolean network model perspective. Boolean networks could help to guide additional experiments and discern among alternative regulatory schemes that would be impossible or difficult to infer without the elimination of these assumption from the classical epistasis analysis. We also use examples from the literature to show how a Boolean network-based approach has resolved ambiguities and guided epistasis analysis. Our article complements previous accounts, not only by focusing on the implications of the hierarchical and single-path assumption, but also by demonstrating the importance of considering temporal dynamics, and specifically introducing the usefulness of Boolean network models and also reviewing some key properties of network approaches. PMID:22645556

Integral approximations to classical diffusion and smoothed particle hydrodynamics

DOE PAGES

Du, Qiang; Lehoucq, R. B.; Tartakovsky, A. M.

2014-12-31

The contribution of the paper is the approximation of a classical diffusion operator by an integral equation with a volume constraint. A particular focus is on classical diffusion problems associated with Neumann boundary conditions. By exploiting this approximation, we can also approximate other quantities such as the flux out of a domain. Our analysis of the model equation on the continuum level is closely related to the recent work on nonlocal diffusion and peridynamic mechanics. In particular, we elucidate the role of a volumetric constraint as an approximation to a classical Neumann boundary condition in the presence of physical boundary.more » The volume-constrained integral equation then provides the basis for accurate and robust discretization methods. As a result, an immediate application is to the understanding and improvement of the Smoothed Particle Hydrodynamics (SPH) method.« less

Summary of the discussion meeting on alpha particle theory problems

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

Sigmar, D.J.

1988-04-01

The agenda of the meeting (consisting of {approximately}20 theoreticians and 2 experimentalists working on single {alpha}-particle effects and diagnostics) was to discuss the spectrum of relevant {alpha}-theory problems as it is presently understood, its impact on ignited plasma performance, and possible paths to stabilization. The purpose was to expose existing efforts to peer review and to focus on the most important topics. Twenty-one talks were given which are summarized. Overall, there emerged a consensus about the existence of robust (MHD-like) collective oscillations affecting both the {alpha}-species and the bulk plasma. In addition, improved calculations of classical {alpha}-phenomena due to driftmore » orbits and collisions and {alpha}-RF interactions were discussed. An overview of topics covered is given in the attached conference program.« less

Classical Wigner method with an effective quantum force: application to reaction rates.

PubMed

Poulsen, Jens Aage; Li, Huaqing; Nyman, Gunnar

2009-07-14

We construct an effective "quantum force" to be used in the classical molecular dynamics part of the classical Wigner method when determining correlation functions. The quantum force is obtained by estimating the most important short time separation of the Feynman paths that enter into the expression for the correlation function. The evaluation of the force is then as easy as classical potential energy evaluations. The ideas are tested on three reaction rate problems. The resulting transmission coefficients are in much better agreement with accurate results than transmission coefficients from the ordinary classical Wigner method.

Stochastic Models for Laser Propagation in Atmospheric Turbulence.

NASA Astrophysics Data System (ADS)

Leland, Robert Patton

In this dissertation, stochastic models for laser propagation in atmospheric turbulence are considered. A review of the existing literature on laser propagation in the atmosphere and white noise theory is presented, with a view toward relating the white noise integral and Ito integral approaches. The laser beam intensity is considered as the solution to a random Schroedinger equation, or forward scattering equation. This model is formulated in a Hilbert space context as an abstract bilinear system with a multiplicative white noise input, as in the literature. The model is also modeled in the Banach space of Fresnel class functions to allow the plane wave case and the application of path integrals. Approximate solutions to the Schroedinger equation of the Trotter-Kato product form are shown to converge for each white noise sample path. The product forms are shown to be physical random variables, allowing an Ito integral representation. The corresponding Ito integrals are shown to converge in mean square, providing a white noise basis for the Stratonovich correction term associated with this equation. Product form solutions for Ornstein -Uhlenbeck process inputs were shown to converge in mean square as the input bandwidth was expanded. A digital simulation of laser propagation in strong turbulence was used to study properties of the beam. Empirical distributions for the irradiance function were estimated from simulated data, and the log-normal and Rice-Nakagami distributions predicted by the classical perturbation methods were seen to be inadequate. A gamma distribution fit the simulated irradiance distribution well in the vicinity of the boresight. Statistics of the beam were seen to converge rapidly as the bandwidth of an Ornstein-Uhlenbeck process was expanded to its white noise limit. Individual trajectories of the beam were presented to illustrate the distortion and bending of the beam due to turbulence. Feynman path integrals were used to calculate an approximate expression for the mean of the beam intensity without using the Markov, or white noise, assumption, and to relate local variations in the turbulence field to the behavior of the beam by means of two approximations.

High-density amorphous ice: A path-integral simulation

NASA Astrophysics Data System (ADS)

Herrero, Carlos P.; Ramírez, Rafael

2012-09-01

Structural and thermodynamic properties of high-density amorphous (HDA) ice have been studied by path-integral molecular dynamics simulations in the isothermal-isobaric ensemble. Interatomic interactions were modeled by using the effective q-TIP4P/F potential for flexible water. Quantum nuclear motion is found to affect several observable properties of the amorphous solid. At low temperature (T = 50 K) the molar volume of HDA ice is found to increase by 6%, and the intramolecular O-H distance rises by 1.4% due to quantum motion. Peaks in the radial distribution function of HDA ice are broadened with respect to their classical expectancy. The bulk modulus, B, is found to rise linearly with the pressure, with a slope ∂B/∂P = 7.1. Our results are compared with those derived earlier from classical and path-integral simulations of HDA ice. We discuss similarities and discrepancies with those earlier simulations.

Classical geometry to quantum behavior correspondence in a virtual extra dimension

NASA Astrophysics Data System (ADS)

Dolce, Donatello

2012-09-01

In the Lorentz invariant formalism of compact space-time dimensions the assumption of periodic boundary conditions represents a consistent semi-classical quantization condition for relativistic fields. In Dolce (2011) [18] we have shown, for instance, that the ordinary Feynman path integral is obtained from the interference between the classical paths with different winding numbers associated with the cyclic dynamics of the field solutions. By means of the boundary conditions, the kinematical information of interactions can be encoded on the relativistic geometrodynamics of the boundary, see Dolce (2012) [8]. Furthermore, such a purely four-dimensional theory is manifestly dual to an extra-dimensional field theory. The resulting correspondence between extra-dimensional geometrodynamics and ordinary quantum behavior can be interpreted in terms of AdS/CFT correspondence. By applying this approach to a simple Quark-Gluon-Plasma freeze-out model we obtain fundamental analogies with basic aspects of AdS/QCD phenomenology.

Approximate Genealogies Under Genetic Hitchhiking

PubMed Central

Pfaffelhuber, P.; Haubold, B.; Wakolbinger, A.

2006-01-01

The rapid fixation of an advantageous allele leads to a reduction in linked neutral variation around the target of selection. The genealogy at a neutral locus in such a selective sweep can be simulated by first generating a random path of the advantageous allele's frequency and then a structured coalescent in this background. Usually the frequency path is approximated by a logistic growth curve. We discuss an alternative method that approximates the genealogy by a random binary splitting tree, a so-called Yule tree that does not require first constructing a frequency path. Compared to the coalescent in a logistic background, this method gives a slightly better approximation for identity by descent during the selective phase and a much better approximation for the number of lineages that stem from the founder of the selective sweep. In applications such as the approximation of the distribution of Tajima's D, the two approximation methods perform equally well. For relevant parameter ranges, the Yule approximation is faster. PMID:17182733

Quantum localization of classical mechanics

NASA Astrophysics Data System (ADS)

Batalin, Igor A.; Lavrov, Peter M.

2016-07-01

Quantum localization of classical mechanics within the BRST-BFV and BV (or field-antifield) quantization methods are studied. It is shown that a special choice of gauge fixing functions (or BRST-BFV charge) together with the unitary limit leads to Hamiltonian localization in the path integral of the BRST-BFV formalism. In turn, we find that a special choice of gauge fixing functions being proportional to extremals of an initial non-degenerate classical action together with a very special solution of the classical master equation result in Lagrangian localization in the partition function of the BV formalism.

Voices of Women in the Field: Lessons from the Land of Administrative Oz

ERIC Educational Resources Information Center

Renner, Carol

2005-01-01

The classic fairy tale, the "Wizard of Oz," may have some lessons for female teachers considering school administration. Just as Dorothy, female educators experience the same perplexing emotions, questioning the right career destiny, experiencing stormy situations that thrust them into career paths, exploring the unpredictable paths to their…

Path integral Monte Carlo ground state approach: formalism, implementation, and applications

NASA Astrophysics Data System (ADS)

Yan, Yangqian; Blume, D.

2017-11-01

Monte Carlo techniques have played an important role in understanding strongly correlated systems across many areas of physics, covering a wide range of energy and length scales. Among the many Monte Carlo methods applicable to quantum mechanical systems, the path integral Monte Carlo approach with its variants has been employed widely. Since semi-classical or classical approaches will not be discussed in this review, path integral based approaches can for our purposes be divided into two categories: approaches applicable to quantum mechanical systems at zero temperature and approaches applicable to quantum mechanical systems at finite temperature. While these two approaches are related to each other, the underlying formulation and aspects of the algorithm differ. This paper reviews the path integral Monte Carlo ground state (PIGS) approach, which solves the time-independent Schrödinger equation. Specifically, the PIGS approach allows for the determination of expectation values with respect to eigen states of the few- or many-body Schrödinger equation provided the system Hamiltonian is known. The theoretical framework behind the PIGS algorithm, implementation details, and sample applications for fermionic systems are presented.

Morse-Smale Analysis of Ion Diffusion in Ab Initio Battery Materials Simulations

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

Gyulassy, Attila; Knoll, Aaron; Lau, Kah Chun

Ab initio molecular dynamics (AIMD) simulations are increasingly useful in modeling, optimizing and synthesizing materials in energy sciences. In solving Schrödinger’s equation, they generate the electronic structure of the simulated atoms as a scalar field. However, methods for analyzing these volume data are not yet common in molecular visualization. The Morse-Smale complex is a proven, versatile tool for topological analysis of scalar fields. In this paper, we apply the discrete Morse-Smale complex to analysis of first-principles battery materials simulations. We consider a carbon nanosphere structure used in battery materials research, and employ Morse-Smale decomposition to determine the possible lithium ionmore » diffusion paths within that structure. Our approach is novel in that it uses the wavefunction itself as opposed distance fields, and that we analyze the 1-skeleton of the Morse-Smale complex to reconstruct our diffusion paths. Furthermore, it is the first application where specific motifs in the graph structure of the complete 1-skeleton define features, namely carbon rings with specific valence. We compare our analysis of DFT data with that of a distance field approximation, and discuss implications on larger classical molecular dynamics simulations.« less

On the consistency between nearest-neighbor peridynamic discretizations and discretized classical elasticity models

DOE PAGES

Seleson, Pablo; Du, Qiang; Parks, Michael L.

2016-08-16

The peridynamic theory of solid mechanics is a nonlocal reformulation of the classical continuum mechanics theory. At the continuum level, it has been demonstrated that classical (local) elasticity is a special case of peridynamics. Such a connection between these theories has not been extensively explored at the discrete level. This paper investigates the consistency between nearest-neighbor discretizations of linear elastic peridynamic models and finite difference discretizations of the Navier–Cauchy equation of classical elasticity. While nearest-neighbor discretizations in peridynamics have been numerically observed to present grid-dependent crack paths or spurious microcracks, this paper focuses on a different, analytical aspect of suchmore » discretizations. We demonstrate that, even in the absence of cracks, such discretizations may be problematic unless a proper selection of weights is used. Specifically, we demonstrate that using the standard meshfree approach in peridynamics, nearest-neighbor discretizations do not reduce, in general, to discretizations of corresponding classical models. We study nodal-based quadratures for the discretization of peridynamic models, and we derive quadrature weights that result in consistency between nearest-neighbor discretizations of peridynamic models and discretized classical models. The quadrature weights that lead to such consistency are, however, model-/discretization-dependent. We motivate the choice of those quadrature weights through a quadratic approximation of displacement fields. The stability of nearest-neighbor peridynamic schemes is demonstrated through a Fourier mode analysis. Finally, an approach based on a normalization of peridynamic constitutive constants at the discrete level is explored. This approach results in the desired consistency for one-dimensional models, but does not work in higher dimensions. The results of the work presented in this paper suggest that even though nearest-neighbor discretizations should be avoided in peridynamic simulations involving cracks, such discretizations are viable, for example for verification or validation purposes, in problems characterized by smooth deformations. Furthermore, we demonstrate that better quadrature rules in peridynamics can be obtained based on the functional form of solutions.« less

Towards apparent convergence in asymptotically safe quantum gravity

NASA Astrophysics Data System (ADS)

Denz, T.; Pawlowski, J. M.; Reichert, M.

2018-04-01

The asymptotic safety scenario in gravity is accessed within the systematic vertex expansion scheme for functional renormalisation group flows put forward in Christiansen et al. (Phys Lett B 728:114, 2014), Christiansen et al. (Phy Rev D 93:044036, 2016), and implemented in Christiansen et al. (Phys Rev D 92:121501, 2015) for propagators and three-point functions. In the present work this expansion scheme is extended to the dynamical graviton four-point function. For the first time, this provides us with a closed flow equation for the graviton propagator: all vertices and propagators involved are computed from their own flows. In terms of a covariant operator expansion the current approximation gives access to Λ , R, R^2 as well as R_{μ ν }^2 and higher derivative operators. We find a UV fixed point with three attractive and two repulsive directions, thus confirming previous studies on the relevance of the first three operators. In the infrared we find trajectories that correspond to classical general relativity and further show non-classical behaviour in some fluctuation couplings. We also find signatures for the apparent convergence of the systematic vertex expansion. This opens a promising path towards establishing asymptotically safe gravity in terms of apparent convergence.

Line Interference Effects Using a Refined Robert-Bonamy Formalism: the Test Case of the Isotropic Raman Spectra of Autoperturbed N2

NASA Technical Reports Server (NTRS)

Boulet, Christian; Ma, Qiancheng; Thibault, Franck

2014-01-01

A symmetrized version of the recently developed refined Robert-Bonamy formalism [Q. Ma, C. Boulet, and R. H. Tipping, J. Chem. Phys. 139, 034305 (2013)] is proposed. This model takes into account line coupling effects and hence allows the calculation of the off-diagonal elements of the relaxation matrix, without neglecting the rotational structure of the perturbing molecule. The formalism is applied to the isotropic Raman spectra of autoperturbed N2 for which a benchmark quantum relaxation matrix has recently been proposed. The consequences of the classical path approximation are carefully analyzed. Methods correcting for effects of inelasticity are considered. While in the right direction, these corrections appear to be too crude to provide off diagonal elements which would yield, via the sum rule, diagonal elements in good agreement with the quantum results. In order to overcome this difficulty, a re-normalization procedure is applied, which ensures that the off-diagonal elements do lead to the exact quantum diagonal elements. The agreement between the (re-normalized) semi-classical and quantum relaxation matrices is excellent, at least for the Raman spectra of N2, opening the way to the analysis of more complex molecular systems.

ADER discontinuous Galerkin schemes for general-relativistic ideal magnetohydrodynamics

NASA Astrophysics Data System (ADS)

Fambri, F.; Dumbser, M.; Köppel, S.; Rezzolla, L.; Zanotti, O.

2018-07-01

We present a new class of high-order accurate numerical algorithms for solving the equations of general-relativistic ideal magnetohydrodynamics in curved space-times. In this paper, we assume the background space-time to be given and static, i.e. we make use of the Cowling approximation. The governing partial differential equations are solved via a new family of fully discrete and arbitrary high-order accurate path-conservative discontinuous Galerkin (DG) finite-element methods combined with adaptive mesh refinement and time accurate local time-stepping. In order to deal with shock waves and other discontinuities, the high-order DG schemes are supplemented with a novel a posteriori subcell finite-volume limiter, which makes the new algorithms as robust as classical second-order total-variation diminishing finite-volume methods at shocks and discontinuities, but also as accurate as unlimited high-order DG schemes in smooth regions of the flow. We show the advantages of this new approach by means of various classical two- and three-dimensional benchmark problems on fixed space-times. Finally, we present a performance and accuracy comparisons between Runge-Kutta DG schemes and ADER high-order finite-volume schemes, showing the higher efficiency of DG schemes.

ADER discontinuous Galerkin schemes for general-relativistic ideal magnetohydrodynamics

NASA Astrophysics Data System (ADS)

Fambri, F.; Dumbser, M.; Köppel, S.; Rezzolla, L.; Zanotti, O.

2018-03-01

We present a new class of high-order accurate numerical algorithms for solving the equations of general-relativistic ideal magnetohydrodynamics in curved spacetimes. In this paper we assume the background spacetime to be given and static, i.e. we make use of the Cowling approximation. The governing partial differential equations are solved via a new family of fully-discrete and arbitrary high-order accurate path-conservative discontinuous Galerkin (DG) finite-element methods combined with adaptive mesh refinement and time accurate local timestepping. In order to deal with shock waves and other discontinuities, the high-order DG schemes are supplemented with a novel a-posteriori subcell finite-volume limiter, which makes the new algorithms as robust as classical second-order total-variation diminishing finite-volume methods at shocks and discontinuities, but also as accurate as unlimited high-order DG schemes in smooth regions of the flow. We show the advantages of this new approach by means of various classical two- and three-dimensional benchmark problems on fixed spacetimes. Finally, we present a performance and accuracy comparisons between Runge-Kutta DG schemes and ADER high-order finite-volume schemes, showing the higher efficiency of DG schemes.

Time-dependent variational approach in terms of squeezed coherent states: Implication to semi-classical approximation

NASA Technical Reports Server (NTRS)

Tsue, Yasuhiko

1994-01-01

A general framework for time-dependent variational approach in terms of squeezed coherent states is constructed with the aim of describing quantal systems by means of classical mechanics including higher order quantal effects with the aid of canonicity conditions developed in the time-dependent Hartree-Fock theory. The Maslov phase occurring in a semi-classical quantization rule is investigated in this framework. In the limit of a semi-classical approximation in this approach, it is definitely shown that the Maslov phase has a geometric nature analogous to the Berry phase. It is also indicated that this squeezed coherent state approach is a possible way to go beyond the usual WKB approximation.

COMPARISON OF AN INNOVATIVE NONLINEAR ALGORITHM TO CLASSICAL LEAST SQUARES FOR ANALYZING OPEN-PATH FOURIER TRANSFORM INFRARED SPECTRA COLLECTED AT A CONCENTRATED SWINE PRODUCTION FACILITY

EPA Science Inventory

Open-path Fourier transform infrared (OP/FTIR) spectrometry was used to measure the concentrations of ammonia, methane, and other atmospheric gases at an integrated swine production facility. The concentration-pathlength products of the target gases at this site often exceeded th...

Hamilton's Principle and Approximate Solutions to Problems in Classical Mechanics

ERIC Educational Resources Information Center

Schlitt, D. W.

1977-01-01

Shows how to use the Ritz method for obtaining approximate solutions to problems expressed in variational form directly from the variational equation. Application of this method to classical mechanics is given. (MLH)

19 CFR 12.104g - Specific items or categories designated by agreements or emergency actions.

Code of Federal Regulations, 2013 CFR

2013-04-01

... approximately 9000 B.C.), Pre-Classic, Classic, and Post-Classic Periods of the Pre-Columbian era through the Early and Late Colonial Periods CBP Dec. 13-05. Bolivia Archaeological and Ethnological Material from... material of the Colonial period ranging approximately from A.D. 1530 to 1830 CBP Dec. 06-09 extended by CBP...

Quantum fluctuations increase the self-diffusive motion of para-hydrogen in narrow carbon nanotubes.

PubMed

Kowalczyk, Piotr; Gauden, Piotr A; Terzyk, Artur P; Furmaniak, Sylwester

2011-05-28

Quantum fluctuations significantly increase the self-diffusive motion of para-hydrogen adsorbed in narrow carbon nanotubes at 30 K comparing to its classical counterpart. Rigorous Feynman's path integral calculations reveal that self-diffusive motion of para-hydrogen in a narrow (6,6) carbon nanotube at 30 K and pore densities below ∼29 mmol cm(-3) is one order of magnitude faster than the classical counterpart. We find that the zero-point energy and tunneling significantly smoothed out the free energy landscape of para-hydrogen molecules adsorbed in a narrow (6,6) carbon nanotube. This promotes a delocalization of the confined para-hydrogen at 30 K (i.e., population of unclassical paths due to quantum effects). Contrary the self-diffusive motion of classical para-hydrogen molecules in a narrow (6,6) carbon nanotube at 30 K is very slow. This is because classical para-hydrogen molecules undergo highly correlated movement when their collision diameter approached the carbon nanotube size (i.e., anomalous diffusion in quasi-one dimensional pores). On the basis of current results we predict that narrow single-walled carbon nanotubes are promising nanoporous molecular sieves being able to separate para-hydrogen molecules from mixtures of classical particles at cryogenic temperatures. This journal is © the Owner Societies 2011

Prebifurcation periodic ghost orbits in semiclassical quantization

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

Kus, M.; Haake, F.; Delande, D.

1993-10-04

Classical periodic orbits are stationary-phase points in path integral representations of quantum propagators. We show that complex solutions of the stationary-phase equation, not corresponding to real classical periodic orbits, give additional contributions to the propagator which can be important, especially near bifurcations. We reveal the existence and relevance of such periodic ghost orbits for a kicked top.

Experimental contextuality in classical light

NASA Astrophysics Data System (ADS)

Li, Tao; Zeng, Qiang; Song, Xinbing; Zhang, Xiangdong

2017-03-01

The Klyachko, Can, Binicioglu, and Shumovsky (KCBS) inequality is an important contextuality inequality in three-level system, which has been demonstrated experimentally by using quantum states. Using the path and polarization degrees of freedom of classical optics fields, we have constructed the classical trit (cetrit), tested the KCBS inequality and its geometrical form (Wright’s inequality) in this work. The projection measurement has been implemented, the clear violations of the KCBS inequality and its geometrical form have been observed. This means that the contextuality inequality, which is commonly used in test of the conflict between quantum theory and noncontextual realism, may be used as a quantitative tool in classical optical coherence to describe correlation characteristics of the classical fields.

Experimental simulation of monogamy relation between contextuality and nonlocality in classical light.

PubMed

Li, Tao; Zhang, Xiong; Zeng, Qiang; Wang, Bo; Zhang, Xiangdong

2018-04-30

The Clauser-Horne-Shimony-Holt (CHSH) inequality and the Klyachko-Can-Binicioglu-Shumovski (KCBS) inequality present a tradeoff on the no-disturbance (ND) principle. Recently, the fundamental monogamy relation between contextuality and nonlocality in quantum theory has been demonstrated experimentally. Here we show that such a relation and tradeoff can also be simulated in classical optical systems. Using polarization, path and orbital angular momentum of the classical optical beam, in classical optical experiment we have observed the stringent monogamy relation between the two inequalities by implementing the projection measurement. Our results show the application prospect of the concepts developed recently in quantum information science to classical optical system and optical information processing.

Derivation of the Schrodinger Equation from the Hamilton-Jacobi Equation in Feynman's Path Integral Formulation of Quantum Mechanics

ERIC Educational Resources Information Center

Field, J. H.

2011-01-01

It is shown how the time-dependent Schrodinger equation may be simply derived from the dynamical postulate of Feynman's path integral formulation of quantum mechanics and the Hamilton-Jacobi equation of classical mechanics. Schrodinger's own published derivations of quantum wave equations, the first of which was also based on the Hamilton-Jacobi…

An Application of Self-Organizing Map for Multirobot Multigoal Path Planning with Minmax Objective.

PubMed

Faigl, Jan

2016-01-01

In this paper, Self-Organizing Map (SOM) for the Multiple Traveling Salesman Problem (MTSP) with minmax objective is applied to the robotic problem of multigoal path planning in the polygonal domain. The main difficulty of such SOM deployment is determination of collision-free paths among obstacles that is required to evaluate the neuron-city distances in the winner selection phase of unsupervised learning. Moreover, a collision-free path is also needed in the adaptation phase, where neurons are adapted towards the presented input signal (city) to the network. Simple approximations of the shortest path are utilized to address this issue and solve the robotic MTSP by SOM. Suitability of the proposed approximations is verified in the context of cooperative inspection, where cities represent sensing locations that guarantee to "see" the whole robots' workspace. The inspection task formulated as the MTSP-Minmax is solved by the proposed SOM approach and compared with the combinatorial heuristic GENIUS. The results indicate that the proposed approach provides competitive results to GENIUS and support applicability of SOM for robotic multigoal path planning with a group of cooperating mobile robots. The proposed combination of approximate shortest paths with unsupervised learning opens further applications of SOM in the field of robotic planning.

An Application of Self-Organizing Map for Multirobot Multigoal Path Planning with Minmax Objective

PubMed Central

Faigl, Jan

2016-01-01

In this paper, Self-Organizing Map (SOM) for the Multiple Traveling Salesman Problem (MTSP) with minmax objective is applied to the robotic problem of multigoal path planning in the polygonal domain. The main difficulty of such SOM deployment is determination of collision-free paths among obstacles that is required to evaluate the neuron-city distances in the winner selection phase of unsupervised learning. Moreover, a collision-free path is also needed in the adaptation phase, where neurons are adapted towards the presented input signal (city) to the network. Simple approximations of the shortest path are utilized to address this issue and solve the robotic MTSP by SOM. Suitability of the proposed approximations is verified in the context of cooperative inspection, where cities represent sensing locations that guarantee to “see” the whole robots' workspace. The inspection task formulated as the MTSP-Minmax is solved by the proposed SOM approach and compared with the combinatorial heuristic GENIUS. The results indicate that the proposed approach provides competitive results to GENIUS and support applicability of SOM for robotic multigoal path planning with a group of cooperating mobile robots. The proposed combination of approximate shortest paths with unsupervised learning opens further applications of SOM in the field of robotic planning. PMID:27340395

Path coloring on the Mesh

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

Rabani, Y.

In the minimum path coloring problem, we are given a list of pairs of vertices of a graph. We are asked to connect each pair by a colored path. Paths of the same color must be edge disjoint. Our objective is to minimize the number of colors used. This problem was raised by Aggarwal et al and Raghavan and Upfal as a model for routing in all-optical networks. It is also related to questions in circuit routing. In this paper, we improve the O (ln N) approximation result of Kleinberg and Tardos for path coloring on the N x Nmore » mesh. We give an O(1) approximation algorithm to the number of colors needed, and a poly(ln ln N) approximation algorithm to the choice of paths and colors. To the best of our knowledge, these are the first sub-logarithmic bounds for any network other than trees, rings, or trees of rings. Our results are based on developing new techniques for randomized rounding. These techniques iteratively improve a fractional solution until it approaches integrality. They are motivated by the method used by Leighton, Maggs, and Rao for packet routing.« less

Nucleation theory - Is replacement free energy needed?. [error analysis of capillary approximation

NASA Technical Reports Server (NTRS)

Doremus, R. H.

1982-01-01

It has been suggested that the classical theory of nucleation of liquid from its vapor as developed by Volmer and Weber (1926) needs modification with a factor referred to as the replacement free energy and that the capillary approximation underlying the classical theory is in error. Here, the classical nucleation equation is derived from fluctuation theory, Gibb's result for the reversible work to form a critical nucleus, and the rate of collision of gas molecules with a surface. The capillary approximation is not used in the derivation. The chemical potential of small drops is then considered, and it is shown that the capillary approximation can be derived from thermodynamic equations. The results show that no corrections to Volmer's equation are needed.

Enhancing the violation of the einstein-podolsky-rosen local realism by quantum hyperentanglement.

PubMed

Barbieri, Marco; De Martini, Francesco; Mataloni, Paolo; Vallone, Giuseppe; Cabello, Adán

2006-10-06

Mermin's observation [Phys. Rev. Lett. 65, 1838 (1990)] that the magnitude of the violation of local realism, defined as the ratio between the quantum prediction and the classical bound, can grow exponentially with the size of the system is demonstrated using two-photon hyperentangled states entangled in polarization and path degrees of freedom, and local measurements of polarization and path simultaneously.

A semi-classical approach to the calculation of highly excited rotational energies for asymmetric-top molecules

PubMed Central

Schmiedt, Hanno; Schlemmer, Stephan; Yurchenko, Sergey N.; Yachmenev, Andrey

2017-01-01

We report a new semi-classical method to compute highly excited rotational energy levels of an asymmetric-top molecule. The method forgoes the idea of a full quantum mechanical treatment of the ro-vibrational motion of the molecule. Instead, it employs a semi-classical Green's function approach to describe the rotational motion, while retaining a quantum mechanical description of the vibrations. Similar approaches have existed for some time, but the method proposed here has two novel features. First, inspired by the path integral method, periodic orbits in the phase space and tunneling paths are naturally obtained by means of molecular symmetry analysis. Second, the rigorous variational method is employed for the first time to describe the molecular vibrations. In addition, we present a new robust approach to generating rotational energy surfaces for vibrationally excited states; this is done in a fully quantum-mechanical, variational manner. The semi-classical approach of the present work is applied to calculating the energies of very highly excited rotational states and it reduces dramatically the computing time as well as the storage and memory requirements when compared to the fullly quantum-mechanical variational approach. Test calculations for excited states of SO2 yield semi-classical energies in very good agreement with the available experimental data and the results of fully quantum-mechanical calculations. PMID:28000807

Limited-path-length entanglement percolation in quantum complex networks

NASA Astrophysics Data System (ADS)

Cuquet, Martí; Calsamiglia, John

2011-03-01

We study entanglement distribution in quantum complex networks where nodes are connected by bipartite entangled states. These networks are characterized by a complex structure, which dramatically affects how information is transmitted through them. For pure quantum state links, quantum networks exhibit a remarkable feature absent in classical networks: it is possible to effectively rewire the network by performing local operations on the nodes. We propose a family of such quantum operations that decrease the entanglement percolation threshold of the network and increase the size of the giant connected component. We provide analytic results for complex networks with an arbitrary (uncorrelated) degree distribution. These results are in good agreement with numerical simulations, which also show enhancement in correlated and real-world networks. The proposed quantum preprocessing strategies are not robust in the presence of noise. However, even when the links consist of (noisy) mixed-state links, one can send quantum information through a connecting path with a fidelity that decreases with the path length. In this noisy scenario, complex networks offer a clear advantage over regular lattices, namely, the fact that two arbitrary nodes can be connected through a relatively small number of steps, known as the small-world effect. We calculate the probability that two arbitrary nodes in the network can successfully communicate with a fidelity above a given threshold. This amounts to working out the classical problem of percolation with a limited path length. We find that this probability can be significant even for paths limited to few connections and that the results for standard (unlimited) percolation are soon recovered if the path length exceeds by a finite amount the average path length, which in complex networks generally scales logarithmically with the size of the network.

Computing thermal Wigner densities with the phase integration method

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

Beutier, J.; Borgis, D.; Vuilleumier, R.

2014-08-28

We discuss how the Phase Integration Method (PIM), recently developed to compute symmetrized time correlation functions [M. Monteferrante, S. Bonella, and G. Ciccotti, Mol. Phys. 109, 3015 (2011)], can be adapted to sampling/generating the thermal Wigner density, a key ingredient, for example, in many approximate schemes for simulating quantum time dependent properties. PIM combines a path integral representation of the density with a cumulant expansion to represent the Wigner function in a form calculable via existing Monte Carlo algorithms for sampling noisy probability densities. The method is able to capture highly non-classical effects such as correlation among the momenta andmore » coordinates parts of the density, or correlations among the momenta themselves. By using alternatives to cumulants, it can also indicate the presence of negative parts of the Wigner density. Both properties are demonstrated by comparing PIM results to those of reference quantum calculations on a set of model problems.« less

Computing thermal Wigner densities with the phase integration method.

PubMed

Beutier, J; Borgis, D; Vuilleumier, R; Bonella, S

2014-08-28

We discuss how the Phase Integration Method (PIM), recently developed to compute symmetrized time correlation functions [M. Monteferrante, S. Bonella, and G. Ciccotti, Mol. Phys. 109, 3015 (2011)], can be adapted to sampling/generating the thermal Wigner density, a key ingredient, for example, in many approximate schemes for simulating quantum time dependent properties. PIM combines a path integral representation of the density with a cumulant expansion to represent the Wigner function in a form calculable via existing Monte Carlo algorithms for sampling noisy probability densities. The method is able to capture highly non-classical effects such as correlation among the momenta and coordinates parts of the density, or correlations among the momenta themselves. By using alternatives to cumulants, it can also indicate the presence of negative parts of the Wigner density. Both properties are demonstrated by comparing PIM results to those of reference quantum calculations on a set of model problems.

Ab Initio Investigations of High-Pressure Melting of Dense Lithium

NASA Astrophysics Data System (ADS)

Clay, Raymond; Morales, Miguel; Bonev, Stanimir

Lithium at ambient conditions is the simplest alkali metal and exhibits textbook nearly-free electron behavior. As the density is increased, however, significant core/valence overlap leads to surprisingly complex chemistry. We have systematically investigated the phase diagram of lithium at pressures ranging between two and six million atmospheres. Through a combination of density functional theory based path-integral and classical molecular dynamics simulations, we have investigated the impact of both nuclear quantum effects and anharmonicity on the melting line and solid phase boundaries. We also investigate how the inclusion of nuclear quantum effects and approximations in the treatment of electronic exchange-correlation impact the robustness of previous predictions of tetrahedral clustering in dense liquid Li. Sandia National Laboratories is a multi-mission laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Asymptotic Analysis of the Ponzano-Regge Model with Non-Commutative Metric Boundary Data

NASA Astrophysics Data System (ADS)

Oriti, Daniele; Raasakka, Matti

2014-06-01

We apply the non-commutative Fourier transform for Lie groups to formulate the non-commutative metric representation of the Ponzano-Regge spin foam model for 3d quantum gravity. The non-commutative representation allows to express the amplitudes of the model as a first order phase space path integral, whose properties we consider. In particular, we study the asymptotic behavior of the path integral in the semi-classical limit. First, we compare the stationary phase equations in the classical limit for three different non-commutative structures corresponding to the symmetric, Duflo and Freidel-Livine-Majid quantization maps. We find that in order to unambiguously recover discrete geometric constraints for non-commutative metric boundary data through the stationary phase method, the deformation structure of the phase space must be accounted for in the variational calculus. When this is understood, our results demonstrate that the non-commutative metric representation facilitates a convenient semi-classical analysis of the Ponzano-Regge model, which yields as the dominant contribution to the amplitude the cosine of the Regge action in agreement with previous studies. We also consider the asymptotics of the SU(2) 6j-symbol using the non-commutative phase space path integral for the Ponzano-Regge model, and explain the connection of our results to the previous asymptotic results in terms of coherent states.

[Cost accounting for gastrectomy under critical path--the usefulness of direct accounting of personnel expenses and a guide to shortening hospital stay].

PubMed

Nozue, M; Maruyama, T; Imamura, F; Fukue, M

2000-08-01

In this study, cost accounting was made for a surgical case of gastrectomy according to critical path (path) and the economic contribution of the path was determined. In addition, changes in the cost percentage with changes in number of hospital days were simulated. Basically, cost accounting was done by means of cost accounting by departments, which meets the concept of direct cost accounting of administered accounts. Personnel expenses were calculated by means of both direct and indirect calculations. In the direct method, the total hours personnel participated were recorded for calculation. In the indirect method, personnel expenses were calculated from the ratio of the income of the surgical department to that of other departments. Purchase prices for all materials and drugs used were recorded to check buying costs. According to the direct calculating method, the personnel expenses came to approximately 300,000 yen, total cost was approximately 700,000 yen, and the cost percentage was 59%. According to the indirect method, the personnel expenses were approximately 540,000 yen and the total cost was approximately 940,000 yen, the cost percentage being 80%. A simulation study of changes in the cost with changes in hospital days revealed that the cost percentages were assessed to be approximately 53% in 19 hospital days and approximately 45% in 12 hospital days.

Continuous quantum measurements and the action uncertainty principle

NASA Astrophysics Data System (ADS)

Mensky, Michael B.

1992-09-01

The path-integral approach to quantum theory of continuous measurements has been developed in preceding works of the author. According to this approach the measurement amplitude determining probabilities of different outputs of the measurement can be evaluated in the form of a restricted path integral (a path integral “in finite limits”). With the help of the measurement amplitude, maximum deviation of measurement outputs from the classical one can be easily determined. The aim of the present paper is to express this variance in a simpler and transparent form of a specific uncertainty principle (called the action uncertainty principle, AUP). The most simple (but weak) form of AUP is δ S≳ℏ, where S is the action functional. It can be applied for simple derivation of the Bohr-Rosenfeld inequality for measurability of gravitational field. A stronger (and having wider application) form of AUP (for ideal measurements performed in the quantum regime) is |∫{/' t″ }(δ S[ q]/δ q( t))Δ q( t) dt|≃ℏ, where the paths [ q] and [Δ q] stand correspondingly for the measurement output and for the measurement error. It can also be presented in symbolic form as Δ(Equation) Δ(Path) ≃ ℏ. This means that deviation of the observed (measured) motion from that obeying the classical equation of motion is reciprocally proportional to the uncertainty in a path (the latter uncertainty resulting from the measurement error). The consequence of AUP is that improving the measurement precision beyond the threshold of the quantum regime leads to decreasing information resulting from the measurement.

Mixed quantum-classical studies of energy partitioning in unimolecular chemical reactions

NASA Astrophysics Data System (ADS)

Bladow, Landon Lowell

A mixed quantum-classical reaction path Hamiltonian method is utilized to study the dynamics of unimolecular reactions. The method treats motion along the reaction path classically and treats the transverse vibrations quantum mechanically. The theory leads to equations that predict the disposai of the exit-channel potential energy to product translation and vibration. In addition, vibrational state distributions are obtained for the product normal modes. Vibrational excitation results from the curvature of the minimum energy reaction path. The method is applied to six unimolecular reactions: HF elimination from fluoroethane, 1,1-difluoroethane, 1,1-difluoroethene, and trifluoromethane; and HCl elimination from chloroethane and acetyl chloride. The minimum energy paths were calculated at either the MP2 or B3LYP level of theory. In all cases, the majority of the vibrational excitation of the products occurs in the HX fragment. The results are compared to experimental data and other theoretical results, where available. The best agreement between the experimental and calculated HX vibrational distributions is found for the halogenated ethanes, and the experimental deduction that the majority of the HX vibrational excitation arises from the potential energy release is supported. It is believed that the excess energy provided in experiments contributes to the poorer agreement between experiment and theory observed for HF elimination from 1,1-difluoroethene and trifluoromethane. An attempt is described to incorporate a treatment of the excess energy into the present method. However, the sign of the curvature coupling elements is then found to affect the dynamics. Overall, the method appears to be an efficient dynamical tool for modeling the disposal of the exit-channel potential energy in unimolecular reactions.

Point and path performance of light aircraft: A review and analysis

NASA Technical Reports Server (NTRS)

Smetana, F. O.; Summey, D. C.; Johnson, W. D.

1973-01-01

The literature on methods for predicting the performance of light aircraft is reviewed. The methods discussed in the review extend from the classical instantaneous maximum or minimum technique to techniques for generating mathematically optimum flight paths. Classical point performance techniques are shown to be adequate in many cases but their accuracies are compromised by the need to use simple lift, drag, and thrust relations in order to get closed form solutions. Also the investigation of the effect of changes in weight, altitude, configuration, etc. involves many essentially repetitive calculations. Accordingly, computer programs are provided which can fit arbitrary drag polars and power curves with very high precision and which can then use the resulting fits to compute the performance under the assumption that the aircraft is not accelerating.

On the relation between phase path, group path and attenuation in a cold absorbing plasma

NASA Technical Reports Server (NTRS)

Bennett, J. A.; Dyson, P. L.

1978-01-01

Consideration is given to a cold absorbing plasma in which the collision frequency is zero. Expressions are developed which relate the attenuation and the group and phase refractive indices. It is found that because the expressions for the group and phase refractive indices and the imaginary part of the refractive index are closely related in form, the attenuation is related to the difference between the group and phase paths. Numerical calculations have derived approximations which significantly increase the range of known approximations of this type.

Fine tuning classical and quantum molecular dynamics using a generalized Langevin equation

NASA Astrophysics Data System (ADS)

Rossi, Mariana; Kapil, Venkat; Ceriotti, Michele

2018-03-01

Generalized Langevin Equation (GLE) thermostats have been used very effectively as a tool to manipulate and optimize the sampling of thermodynamic ensembles and the associated static properties. Here we show that a similar, exquisite level of control can be achieved for the dynamical properties computed from thermostatted trajectories. We develop quantitative measures of the disturbance induced by the GLE to the Hamiltonian dynamics of a harmonic oscillator, and show that these analytical results accurately predict the behavior of strongly anharmonic systems. We also show that it is possible to correct, to a significant extent, the effects of the GLE term onto the corresponding microcanonical dynamics, which puts on more solid grounds the use of non-equilibrium Langevin dynamics to approximate quantum nuclear effects and could help improve the prediction of dynamical quantities from techniques that use a Langevin term to stabilize dynamics. Finally we address the use of thermostats in the context of approximate path-integral-based models of quantum nuclear dynamics. We demonstrate that a custom-tailored GLE can alleviate some of the artifacts associated with these techniques, improving the quality of results for the modeling of vibrational dynamics of molecules, liquids, and solids.

Line interference effects using a refined Robert-Bonamy formalism: The test case of the isotropic Raman spectra of autoperturbed N{sub 2}

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

Boulet, Christian, E-mail: Christian.boulet@u-psud.fr; Ma, Qiancheng; Thibault, Franck

A symmetrized version of the recently developed refined Robert-Bonamy formalism [Q. Ma, C. Boulet, and R. H. Tipping, J. Chem. Phys. 139, 034305 (2013)] is proposed. This model takes into account line coupling effects and hence allows the calculation of the off-diagonal elements of the relaxation matrix, without neglecting the rotational structure of the perturbing molecule. The formalism is applied to the isotropic Raman spectra of autoperturbed N{sub 2} for which a benchmark quantum relaxation matrix has recently been proposed. The consequences of the classical path approximation are carefully analyzed. Methods correcting for effects of inelasticity are considered. While inmore » the right direction, these corrections appear to be too crude to provide off diagonal elements which would yield, via the sum rule, diagonal elements in good agreement with the quantum results. In order to overcome this difficulty, a re-normalization procedure is applied, which ensures that the off-diagonal elements do lead to the exact quantum diagonal elements. The agreement between the (re-normalized) semi-classical and quantum relaxation matrices is excellent, at least for the Raman spectra of N{sub 2}, opening the way to the analysis of more complex molecular systems.« less

Path integration of the time-dependent forced oscillator with a two-time quadratic action

NASA Astrophysics Data System (ADS)

Zhang, Tian Rong; Cheng, Bin Kang

1986-03-01

Using the prodistribution theory proposed by DeWitt-Morette [C. DeWitt-Morette, Commun. Math. Phys. 28, 47 (1972); C. DeWitt-Morette, A. Maheshwari, and B. Nelson, Phys. Rep. 50, 257 (1979)], the path integration of a time-dependent forced harmonic oscillator with a two-time quadratic action has been given in terms of the solutions of some integrodifferential equations. We then evaluate explicitly both the classical path and the propagator for the specific kernel introduced by Feynman in the polaron problem. Our results include the previous known results as special cases.

An Exact Algebraic Evaluation of Path-Length Difference for Two-Source Interference

ERIC Educational Resources Information Center

Hopper, Seth; Howell, John

2006-01-01

When studying wave interference, one often wants to know the difference in path length for two waves arriving at a common point P but coming from adjacent sources. For example, in many contexts interference maxima occur where this path-length difference is an integer multiple of the wavelength. The standard approximation for the path-length…

The dissociative chemisorption of methane on Ni(100) and Ni(111): Classical and quantum studies based on the reaction path Hamiltonian

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

Mastromatteo, Michael; Jackson, Bret, E-mail: jackson@chem.umass.edu

Electronic structure methods based on density functional theory are used to construct a reaction path Hamiltonian for CH{sub 4} dissociation on the Ni(100) and Ni(111) surfaces. Both quantum and quasi-classical trajectory approaches are used to compute dissociative sticking probabilities, including all molecular degrees of freedom and the effects of lattice motion. Both approaches show a large enhancement in sticking when the incident molecule is vibrationally excited, and both can reproduce the mode specificity observed in experiments. However, the quasi-classical calculations significantly overestimate the ground state dissociative sticking at all energies, and the magnitude of the enhancement in sticking with vibrationalmore » excitation is much smaller than that computed using the quantum approach or observed in the experiments. The origin of this behavior is an unphysical flow of zero point energy from the nine normal vibrational modes into the reaction coordinate, giving large values for reaction at energies below the activation energy. Perturbative assumptions made in the quantum studies are shown to be accurate at all energies studied.« less

An unconventional adaptation of a classical Gaussian plume dispersion scheme for the fast assessment of external irradiation from a radioactive cloud

NASA Astrophysics Data System (ADS)

Pecha, Petr; Pechova, Emilie

2014-06-01

This article focuses on derivation of an effective algorithm for the fast estimation of cloudshine doses/dose rates induced by a large mixture of radionuclides discharged into the atmosphere. A certain special modification of the classical Gaussian plume approach is proposed for approximation of the near-field dispersion problem. Specifically, the accidental radioactivity release is subdivided into consecutive one-hour Gaussian segments, each driven by a short-term meteorological forecast for the respective hours. Determination of the physical quantity of photon fluence rate from an ambient cloud irradiation is coupled to a special decomposition of the Gaussian plume shape into the equivalent virtual elliptic disks. It facilitates solution of the formerly used time-consuming 3-D integration and provides advantages with regard to acceleration of the computational process on a local scale. An optimal choice of integration limit is adopted on the basis of the mean free path of γ-photons in the air. An efficient approach is introduced for treatment of a wide range of energetic spectrum of the emitted photons when the usual multi-nuclide approach is replaced by a new multi-group scheme. The algorithm is capable of generating the radiological responses in a large net of spatial nodes. It predetermines the proposed procedure such as a proper tool for online data assimilation analysis in the near-field areas. A specific technique for numerical integration is verified on the basis of comparison with a partial analytical solution. Convergence of the finite cloud approximation to the tabulated semi-infinite cloud values for dose conversion factors was validated.

Analytic non-Maxwellian electron velocity distribution function in a Hall discharge plasma

NASA Astrophysics Data System (ADS)

Shagayda, Andrey; Tarasov, Alexey

2017-10-01

The electron velocity distribution function in the low-pressure discharges with the crossed electric and magnetic fields, which occur in magnetrons, plasma accelerators, and Hall thrusters with a closed electron drift, is not Maxwellian. A deviation from equilibrium is caused by a large electron mean free path relative to the Larmor radius and the size of the discharge channel. In this study, we derived in the relaxation approximation the analytical expression of the electron velocity distribution function in a weakly ionized Lorentz plasma with the crossed electric and magnetic fields in the presence of the electron density and temperature gradients in the direction of the electric field. The solution was obtained in the stationary approximation far from boundary surfaces, when diffusion and mobility are determined by the classical effective collision frequency of electrons with ions and atoms. The moments of the distribution function including the average velocity, the stress tensor, and the heat flux were calculated and compared with the classical hydrodynamic expressions. It was shown that a kinetic correction to the drift velocity stems from a contribution of the off-diagonal component of the stress tensor. This correction becomes essential if the drift velocity in the crossed electric and magnetic fields would be comparable to the thermal velocity of electrons. The electron temperature has three different components at a nonzero effective collision frequency and two different components in the limit when the collision frequency tends to zero. It is shown that, in the presence of ionization collisions, the components of the heat flux have additives that are not related to the temperature gradient, and arise because of the electron drift.

Thermal density functional theory, ensemble density functional theory, and potential functional theory for warm dense matter

NASA Astrophysics Data System (ADS)

Pribram-Jones, Aurora

Warm dense matter (WDM) is a high energy phase between solids and plasmas, with characteristics of both. It is present in the centers of giant planets, within the earth's core, and on the path to ignition of inertial confinement fusion. The high temperatures and pressures of warm dense matter lead to complications in its simulation, as both classical and quantum effects must be included. One of the most successful simulation methods is density functional theory-molecular dynamics (DFT-MD). Despite great success in a diverse array of applications, DFT-MD remains computationally expensive and it neglects the explicit temperature dependence of electron-electron interactions known to exist within exact DFT. Finite-temperature density functional theory (FT DFT) is an extension of the wildly successful ground-state DFT formalism via thermal ensembles, broadening its quantum mechanical treatment of electrons to include systems at non-zero temperatures. Exact mathematical conditions have been used to predict the behavior of approximations in limiting conditions and to connect FT DFT to the ground-state theory. An introduction to FT DFT is given within the context of ensemble DFT and the larger field of DFT is discussed for context. Ensemble DFT is used to describe ensembles of ground-state and excited systems. Exact conditions in ensemble DFT and the performance of approximations depend on ensemble weights. Using an inversion method, exact Kohn-Sham ensemble potentials are found and compared to approximations. The symmetry eigenstate Hartree-exchange approximation is in good agreement with exact calculations because of its inclusion of an ensemble derivative discontinuity. Since ensemble weights in FT DFT are temperature-dependent Fermi weights, this insight may help develop approximations well-suited to both ground-state and FT DFT. A novel, highly efficient approach to free energy calculations, finite-temperature potential functional theory, is derived, which has the potential to transform the simulation of warm dense matter. As a semiclassical method, it connects the normally disparate regimes of cold condensed matter physics and hot plasma physics. This orbital-free approach captures the smooth classical density envelope and quantum density oscillations that are both crucial to accurate modeling of materials where temperature and pressure effects are influential.

Can We Advance Macroscopic Quantum Systems Outside the Framework of Complex Decoherence Theory?

PubMed Central

Brezinski, Mark E; Rupnick, Maria

2016-01-01

Macroscopic quantum systems (MQS) are macroscopic systems driven by quantum rather than classical mechanics, a long studied area with minimal success till recently. Harnessing the benefits of quantum mechanics on a macroscopic level would revolutionize fields ranging from telecommunication to biology, the latter focused on here for reasons discussed. Contrary to misconceptions, there are no known physical laws that prevent the development of MQS. Instead, they are generally believed universally lost in complex systems from environmental entanglements (decoherence). But we argue success is achievable MQS with decoherence compensation developed, naturally or artificially, from top-down rather current reductionist approaches. This paper advances the MQS field by a complex systems approach to decoherence. First, why complex system decoherence approaches (top-down) are needed is discussed. Specifically, complex adaptive systems (CAS) are not amenable to reductionist models (and their master equations) because of emergent behaviour, approximation failures, not accounting for quantum compensatory mechanisms, ignoring path integrals, and the subentity problem. In addition, since MQS must exist within the context of the classical world, where rapid decoherence and prolonged coherence are both needed. Nature has already demonstrated this for quantum subsystems such as photosynthesis and magnetoreception. Second, we perform a preliminary study that illustrates a top-down approach to potential MQS. In summary, reductionist arguments against MQS are not justifiable. It is more likely they are not easily detectable in large intact classical systems or have been destroyed by reductionist experimental set-ups. This complex systems decoherence approach, using top down investigations, is critical to paradigm shifts in MQS research both in biological and non-biological systems. PMID:29200743

Can We Advance Macroscopic Quantum Systems Outside the Framework of Complex Decoherence Theory?

PubMed

Brezinski, Mark E; Rupnick, Maria

2014-07-01

Macroscopic quantum systems (MQS) are macroscopic systems driven by quantum rather than classical mechanics, a long studied area with minimal success till recently. Harnessing the benefits of quantum mechanics on a macroscopic level would revolutionize fields ranging from telecommunication to biology, the latter focused on here for reasons discussed. Contrary to misconceptions, there are no known physical laws that prevent the development of MQS. Instead, they are generally believed universally lost in complex systems from environmental entanglements (decoherence). But we argue success is achievable MQS with decoherence compensation developed, naturally or artificially, from top-down rather current reductionist approaches. This paper advances the MQS field by a complex systems approach to decoherence. First, why complex system decoherence approaches (top-down) are needed is discussed. Specifically, complex adaptive systems (CAS) are not amenable to reductionist models (and their master equations) because of emergent behaviour, approximation failures, not accounting for quantum compensatory mechanisms, ignoring path integrals, and the subentity problem. In addition, since MQS must exist within the context of the classical world, where rapid decoherence and prolonged coherence are both needed. Nature has already demonstrated this for quantum subsystems such as photosynthesis and magnetoreception. Second, we perform a preliminary study that illustrates a top-down approach to potential MQS. In summary, reductionist arguments against MQS are not justifiable. It is more likely they are not easily detectable in large intact classical systems or have been destroyed by reductionist experimental set-ups. This complex systems decoherence approach, using top down investigations, is critical to paradigm shifts in MQS research both in biological and non-biological systems.

Violations of a new inequality for classical fields

NASA Technical Reports Server (NTRS)

Franson, J. D.

1992-01-01

Two entangled photons incident upon two distant interferometers can give a coincidence counting rate that depends nonlocally on the sum of the phases of the two interferometers. It has recently been shown that experiments of this kind may violate a simple inequality that must be satisfied by any classical or semi-classical field theory. The inequality provides a graphic illustration of the lack of objective realism of the electric field. The results of a recent experiment which violates this inequality and in which the optical path length between the two interferometers was greater than 100 m are briefly described.

Transition path time distributions for Lévy flights

NASA Astrophysics Data System (ADS)

Janakiraman, Deepika

2018-07-01

This paper presents a study of transition path time distributions for Lévy noise-induced barrier crossing. Transition paths are short segments of the reactive trajectories and span the barrier region of the potential without spilling into the reactant/product wells. The time taken to traverse this segment is referred to as the transition path time. Since the transition path is devoid of excursions in the minimum, the corresponding time will give the exclusive barrier crossing time, unlike . This work explores the distribution of transition path times for superdiffusive barrier crossing, analytically. This is made possible by approximating the barrier by an inverted parabola. Using this approximation, the distributions are evaluated in both over- and under-damped limits of friction. The short-time behaviour of the distributions, provide analytical evidence for single-step transition events—a feature in Lévy-barrier crossing as observed in prior simulation studies. The average transition path time is calculated as a function of the Lévy index (α), and the optimal value of α leading to minimum average transition path time is discussed, in both the limits of friction. Langevin dynamics simulations corroborating with the analytical results are also presented.

Velocity Inversion In Cylindrical Couette Gas Flows

NASA Astrophysics Data System (ADS)

Dongari, Nishanth; Barber, Robert W.; Emerson, David R.; Zhang, Yonghao; Reese, Jason M.

2012-05-01

We investigate a power-law probability distribution function to describe the mean free path of rarefied gas molecules in non-planar geometries. A new curvature-dependent model is derived by taking into account the boundary-limiting effects on the molecular mean free path for surfaces with both convex and concave curvatures. In comparison to a planar wall, we find that the mean free path for a convex surface is higher at the wall and exhibits a sharper gradient within the Knudsen layer. In contrast, a concave wall exhibits a lower mean free path near the surface and the gradients in the Knudsen layer are shallower. The Navier-Stokes constitutive relations and velocity-slip boundary conditions are modified based on a power-law scaling to describe the mean free path, in accordance with the kinetic theory of gases, i.e. transport properties can be described in terms of the mean free path. Velocity profiles for isothermal cylindrical Couette flow are obtained using the power-law model. We demonstrate that our model is more accurate than the classical slip solution, especially in the transition regime, and we are able to capture important non-linear trends associated with the non-equilibrium physics of the Knudsen layer. In addition, we establish a new criterion for the critical accommodation coefficient that leads to the non-intuitive phenomena of velocity-inversion. Our results are compared with conventional hydrodynamic models and direct simulation Monte Carlo data. The power-law model predicts that the critical accommodation coefficient is significantly lower than that calculated using the classical slip solution and is in good agreement with available DSMC data. Our proposed constitutive scaling for non-planar surfaces is based on simple physical arguments and can be readily implemented in conventional fluid dynamics codes for arbitrary geometric configurations.

Combination of the pair density approximation and the Takahashi–Imada approximation for path integral Monte Carlo simulations

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

Zillich, Robert E., E-mail: robert.zillich@jku.at

2015-11-15

We construct an accurate imaginary time propagator for path integral Monte Carlo simulations for heterogeneous systems consisting of a mixture of atoms and molecules. We combine the pair density approximation, which is highly accurate but feasible only for the isotropic interactions between atoms, with the Takahashi–Imada approximation for general interactions. We present finite temperature simulations results for energy and structure of molecules–helium clusters X{sup 4}He{sub 20} (X=HCCH and LiH) which show a marked improvement over the Trotter approximation which has a 2nd-order time step bias. We show that the 4th-order corrections of the Takahashi–Imada approximation can also be applied perturbativelymore » to a 2nd-order simulation.« less

Classical Trajectories and Quantum Spectra

NASA Technical Reports Server (NTRS)

Mielnik, Bogdan; Reyes, Marco A.

1996-01-01

A classical model of the Schrodinger's wave packet is considered. The problem of finding the energy levels corresponds to a classical manipulation game. It leads to an approximate but non-perturbative method of finding the eigenvalues, exploring the bifurcations of classical trajectories. The role of squeezing turns out decisive in the generation of the discrete spectra.

Interacting charges and the classical electron radius

NASA Astrophysics Data System (ADS)

De Luca, Roberto; Di Mauro, Marco; Faella, Orazio; Naddeo, Adele

2018-03-01

The equation of the motion of a point charge q repelled by a fixed point-like charge Q is derived and studied. In solving this problem useful concepts in classical and relativistic kinematics, in Newtonian mechanics and in non-linear ordinary differential equations are revised. The validity of the approximations is discussed from the physical point of view. In particular the classical electron radius emerges naturally from the requirement that the initial distance is large enough for the non-relativistic approximation to be valid. The relevance of this topic for undergraduate physics teaching is pointed out.

Absolute metrology for space interferometers

NASA Astrophysics Data System (ADS)

Salvadé, Yves; Courteville, Alain; Dändliker, René

2017-11-01

The crucial issue of space-based interferometers is the laser interferometric metrology systems to monitor with very high accuracy optical path differences. Although classical high-resolution laser interferometers using a single wavelength are well developed, this type of incremental interferometer has a severe drawback: any interruption of the interferometer signal results in the loss of the zero reference, which requires a new calibration, starting at zero optical path difference. We propose in this paper an absolute metrology system based on multiplewavelength interferometry.

Diffractive paths for weak localization in quantum billiards

NASA Astrophysics Data System (ADS)

Březinová, Iva; Stampfer, Christoph; Wirtz, Ludger; Rotter, Stefan; Burgdörfer, Joachim

2008-04-01

We study the weak-localization effect in quantum transport through a clean ballistic cavity with regular classical dynamics. We address the question which paths account for the suppression of conductance through a system where disorder and chaos are absent. By exploiting both quantum and semiclassical methods, we unambiguously identify paths that are diffractively backscattered into the cavity (when approaching the lead mouths from the cavity interior) to play a key role. Diffractive scattering couples transmitted and reflected paths and is thus essential to reproduce the weak-localization peak in reflection and the corresponding antipeak in transmission. A comparison of semiclassical calculations featuring these diffractive paths yields good agreement with full quantum calculations and experimental data. Our theory provides system-specific predictions for the quantum regime of few open lead modes and can be expected to be relevant also for mixed as well as chaotic systems.

A self-interfering clock as a "which path" witness.

PubMed

Margalit, Yair; Zhou, Zhifan; Machluf, Shimon; Rohrlich, Daniel; Japha, Yonathan; Folman, Ron

2015-09-11

In Einstein's general theory of relativity, time depends locally on gravity; in standard quantum theory, time is global-all clocks "tick" uniformly. We demonstrate a new tool for investigating time in the overlap of these two theories: a self-interfering clock, comprising two atomic spin states. We prepare the clock in a spatial superposition of quantum wave packets, which evolve coherently along two paths into a stable interference pattern. If we make the clock wave packets "tick" at different rates, to simulate a gravitational time lag, the clock time along each path yields "which path" information, degrading the pattern's visibility. In contrast, in standard interferometry, time cannot yield "which path" information. This proof-of-principle experiment may have implications for the study of time and general relativity and their impact on fundamental effects such as decoherence and the emergence of a classical world. Copyright © 2015, American Association for the Advancement of Science.

Identifying decohering paths in closed quantum systems

NASA Technical Reports Server (NTRS)

Albrecht, Andreas

1990-01-01

A specific proposal is discussed for how to identify decohering paths in a wavefunction of the universe. The emphasis is on determining the correlations among subsystems and then considering how these correlations evolve. The proposal is similar to earlier ideas of Schroedinger and of Zeh, but in other ways it is closer to the decoherence functional of Griffiths, Omnes, and Gell-Mann and Hartle. There are interesting differences with each of these which are discussed. Once a given coarse-graining is chosen, the candidate paths are fixed in this scheme, and a single well defined number measures the degree of decoherence for each path. The normal probability sum rules are exactly obeyed (instantaneously) by these paths regardless of the level of decoherence. Also briefly discussed is how one might quantify some other aspects of classicality. The important role that concrete calculations play in testing this and other proposals is stressed.

Mean-field approximation for spacing distribution functions in classical systems

NASA Astrophysics Data System (ADS)

González, Diego Luis; Pimpinelli, Alberto; Einstein, T. L.

2012-01-01

We propose a mean-field method to calculate approximately the spacing distribution functions p(n)(s) in one-dimensional classical many-particle systems. We compare our method with two other commonly used methods, the independent interval approximation and the extended Wigner surmise. In our mean-field approach, p(n)(s) is calculated from a set of Langevin equations, which are decoupled by using a mean-field approximation. We find that in spite of its simplicity, the mean-field approximation provides good results in several systems. We offer many examples illustrating that the three previously mentioned methods give a reasonable description of the statistical behavior of the system. The physical interpretation of each method is also discussed.

Tunneling splitting in double-proton transfer: direct diagonalization results for porphycene.

PubMed

Smedarchina, Zorka; Siebrand, Willem; Fernández-Ramos, Antonio

2014-11-07

Zero-point and excited level splittings due to double-proton tunneling are calculated for porphycene and the results are compared with experiment. The calculation makes use of a multidimensional imaginary-mode Hamiltonian, diagonalized directly by an effective reduction of its dimensionality. Porphycene has a complex potential energy surface with nine stationary configurations that allow a variety of tunneling paths, many of which include classically accessible regions. A symmetry-based approach is used to show that the zero-point level, although located above the cis minimum, corresponds to concerted tunneling along a direct trans - trans path; a corresponding cis - cis path is predicted at higher energy. This supports the conclusion of a previous paper [Z. Smedarchina, W. Siebrand, and A. Fernández-Ramos, J. Chem. Phys. 127, 174513 (2007)] based on the instanton approach to a model Hamiltonian of correlated double-proton transfer. A multidimensional tunneling Hamiltonian is then generated, based on a double-minimum potential along the coordinate of concerted proton motion, which is newly evaluated at the RI-CC2/cc-pVTZ level of theory. To make it suitable for diagonalization, its dimensionality is reduced by treating fast weakly coupled modes in the adiabatic approximation. This results in a coordinate-dependent mass of tunneling, which is included in a unique Hermitian form into the kinetic energy operator. The reduced Hamiltonian contains three symmetric and one antisymmetric mode coupled to the tunneling mode and is diagonalized by a modified Jacobi-Davidson algorithm implemented in the Jadamilu software for sparse matrices. The results are in satisfactory agreement with the observed splitting of the zero-point level and several vibrational fundamentals after a partial reassignment, imposed by recently derived selection rules. They also agree well with instanton calculations based on the same Hamiltonian.

Quantum approach to classical statistical mechanics.

PubMed

Somma, R D; Batista, C D; Ortiz, G

2007-07-20

We present a new approach to study the thermodynamic properties of d-dimensional classical systems by reducing the problem to the computation of ground state properties of a d-dimensional quantum model. This classical-to-quantum mapping allows us to extend the scope of standard optimization methods by unifying them under a general framework. The quantum annealing method is naturally extended to simulate classical systems at finite temperatures. We derive the rates to assure convergence to the optimal thermodynamic state using the adiabatic theorem of quantum mechanics. For simulated and quantum annealing, we obtain the asymptotic rates of T(t) approximately (pN)/(k(B)logt) and gamma(t) approximately (Nt)(-c/N), for the temperature and magnetic field, respectively. Other annealing strategies are also discussed.

Path-integral analysis of the time delay for wave-packet scattering and the status of complex tunneling times

NASA Astrophysics Data System (ADS)

Sokolovski, D.; Connor, J. N. L.

1990-12-01

The wave-packet simulation (WPS) method for calculating the time a tunneling particle spends inside a one-dimensional potential barrier is reexamined using the Feynman path-integral technique. Following earlier work by Sokolovski and Baskin [Phys. Rev. A 36, 4604 (1987)], the tunneling (or traversal) time tTpack is defined as a matrix element of a classical nonlocal functional between two states that represent the initial and transmitted wave packets. These states do not lie on the same orbit in Hilbert space; as a result, tTpack is complex-valued. It is shown that RetTpack reduces to the standard WPS result, tTphase, for conditions similar to those employed in the conventional WPS analysis. Similarly, ImtTpack is shown to contain information about the energy dependence of the transmission probability. Under semiclassical conditions, ImtTpack reduces to the well-known Wentzel-Kramers-Brillouin expression for the tunneling time. It is shown there are different definitions for the traversal time of a classical moving object, whose size is comparable to the width of the region of interest. In the quantum case, these different definitions correspond to different ways of analyzing the WPS experiment. The path-integral approach demonstrates that the tunneling-time problem is one of understanding the physical significance of complex-valued off-orbit matrix elements of an operator or functional. The physical content of complex-valued tunneling times is discussed. It is emphasized that the use of complex tunneling times includes real-time approaches as a special case. Nevertheless, there is a limitation in the description of tunneling experiments using tunneling times, whether real or complex. The path-integral approach does not supply a universal traversal time, analogous to a classical time, that can be used in quantum situations. It is demonstrated that the often expressed hope of finding a well-defined and universal real tunneling time is erroneous.

SU-E-T-489: Quantum versus Classical Trajectory Monte Carlo Simulations of Low Energy Electron Transport.

PubMed

Thomson, R; Kawrakow, I

2012-06-01

Widely-used classical trajectory Monte Carlo simulations of low energy electron transport neglect the quantum nature of electrons; however, at sub-1 keV energies quantum effects have the potential to become significant. This work compares quantum and classical simulations within a simplified model of electron transport in water. Electron transport is modeled in water droplets using quantum mechanical (QM) and classical trajectory Monte Carlo (MC) methods. Water droplets are modeled as collections of point scatterers representing water molecules from which electrons may be isotropically scattered. The role of inelastic scattering is investigated by introducing absorption. QM calculations involve numerically solving a system of coupled equations for the electron wavefield incident on each scatterer. A minimum distance between scatterers is introduced to approximate structured water. The average QM water droplet incoherent cross section is compared with the MC cross section; a relative error (RE) on the MC results is computed. RE varies with electron energy, average and minimum distances between scatterers, and scattering amplitude. The mean free path is generally the relevant length scale for estimating RE. The introduction of a minimum distance between scatterers increases RE substantially (factors of 5 to 10), suggesting that the structure of water must be modeled for accurate simulations. Inelastic scattering does not improve agreement between QM and MC simulations: for the same magnitude of elastic scattering, the introduction of inelastic scattering increases RE. Droplet cross sections are sensitive to droplet size and shape; considerable variations in RE are observed with changing droplet size and shape. At sub-1 keV energies, quantum effects may become non-negligible for electron transport in condensed media. Electron transport is strongly affected by the structure of the medium. Inelastic scatter does not improve agreement between QM and MC simulations of low energy electron transport in condensed media. © 2012 American Association of Physicists in Medicine.

Off-diagonal expansion quantum Monte Carlo

NASA Astrophysics Data System (ADS)

Albash, Tameem; Wagenbreth, Gene; Hen, Itay

2017-12-01

We propose a Monte Carlo algorithm designed to simulate quantum as well as classical systems at equilibrium, bridging the algorithmic gap between quantum and classical thermal simulation algorithms. The method is based on a decomposition of the quantum partition function that can be viewed as a series expansion about its classical part. We argue that the algorithm not only provides a theoretical advancement in the field of quantum Monte Carlo simulations, but is optimally suited to tackle quantum many-body systems that exhibit a range of behaviors from "fully quantum" to "fully classical," in contrast to many existing methods. We demonstrate the advantages, sometimes by orders of magnitude, of the technique by comparing it against existing state-of-the-art schemes such as path integral quantum Monte Carlo and stochastic series expansion. We also illustrate how our method allows for the unification of quantum and classical thermal parallel tempering techniques into a single algorithm and discuss its practical significance.

Off-diagonal expansion quantum Monte Carlo.

PubMed

Albash, Tameem; Wagenbreth, Gene; Hen, Itay

2017-12-01

We propose a Monte Carlo algorithm designed to simulate quantum as well as classical systems at equilibrium, bridging the algorithmic gap between quantum and classical thermal simulation algorithms. The method is based on a decomposition of the quantum partition function that can be viewed as a series expansion about its classical part. We argue that the algorithm not only provides a theoretical advancement in the field of quantum Monte Carlo simulations, but is optimally suited to tackle quantum many-body systems that exhibit a range of behaviors from "fully quantum" to "fully classical," in contrast to many existing methods. We demonstrate the advantages, sometimes by orders of magnitude, of the technique by comparing it against existing state-of-the-art schemes such as path integral quantum Monte Carlo and stochastic series expansion. We also illustrate how our method allows for the unification of quantum and classical thermal parallel tempering techniques into a single algorithm and discuss its practical significance.

Generalized Quantum Theory of Bianchi IX Cosmologies

NASA Astrophysics Data System (ADS)

Craig, David; Hartle, James

2003-04-01

We apply sum-over-histories generalized quantum theory to the closed homogeneous minisuperspace Bianchi IX cosmological model. We sketch how the probabilities in decoherent sets of alternative, coarse-grained histories of this model universe are calculated. We consider in particular, the probabilities for classical evolution in a suitable coarse-graining. For a restricted class of initial conditions and coarse grainings we exhibit the approximate decoherence of alternative histories in which the universe behaves classically and those in which it does not, illustrating the prediction that these universes will evolve in an approximately classical manner with a probability near unity.

Planning 3-D collision-free paths using spheres

NASA Technical Reports Server (NTRS)

Bonner, Susan; Kelley, Robert B.

1989-01-01

A scheme for the representation of objects, the Successive Spherical Approximation (SSA), facilitates the rapid planning of collision-free paths in a 3-D, dynamic environment. The hierarchical nature of the SSA allows collision-free paths to be determined efficiently while still providing for the exact representation of dynamic objects. The concept of a freespace cell is introduced to allow human 3-D conceptual knowledge to be used in facilitating satisfying choices for paths. Collisions can be detected at a rate better than 1 second per environment object per path. This speed enables the path planning process to apply a hierarchy of rules to create a heuristically satisfying collision-free path.

On classical and quantum dynamics of tachyon-like fields and their cosmological implications

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

Dimitrijević, Dragoljub D., E-mail: ddrag@pmf.ni.ac.rs; Djordjević, Goran S., E-mail: ddrag@pmf.ni.ac.rs; Milošević, Milan, E-mail: ddrag@pmf.ni.ac.rs

2014-11-24

We consider a class of tachyon-like potentials, motivated by string theory, D-brane dynamics and inflation theory in the context of classical and quantum mechanics. A formalism for describing dynamics of tachyon fields in spatially homogenous and one-dimensional - classical and quantum mechanical limit is proposed. A few models with concrete potentials are considered. Additionally, possibilities for p-adic and adelic generalization of these models are discussed. Classical actions and corresponding quantum propagators, in the Feynman path integral approach, are calculated in a form invariant on a change of the background number fields, i.e. on both archimedean and nonarchimedean spaces. Looking formore » a quantum origin of inflation, relevance of p-adic and adelic generalizations are briefly discussed.« less

Improved CORF model of simple cell combined with non-classical receptive field and its application on edge detection

NASA Astrophysics Data System (ADS)

Sun, Xiao; Chai, Guobei; Liu, Wei; Bao, Wenzhuo; Zhao, Xiaoning; Ming, Delie

2018-02-01

Simple cells in primary visual cortex are believed to extract local edge information from a visual scene. In this paper, inspired by different receptive field properties and visual information flow paths of neurons, an improved Combination of Receptive Fields (CORF) model combined with non-classical receptive fields was proposed to simulate the responses of simple cell's receptive fields. Compared to the classical model, the proposed model is able to better imitate simple cell's physiologic structure with consideration of facilitation and suppression of non-classical receptive fields. And on this base, an edge detection algorithm as an application of the improved CORF model was proposed. Experimental results validate the robustness of the proposed algorithm to noise and background interference.

Effective dynamics of a classical point charge

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

Polonyi, Janos, E-mail: polonyi@iphc.cnrs.fr

2014-03-15

The effective Lagrangian of a point charge is derived by eliminating the electromagnetic field within the framework of the classical closed time path formalism. The short distance singularity of the electromagnetic field is regulated by an UV cutoff. The Abraham–Lorentz force is recovered and its similarity to quantum anomalies is underlined. The full cutoff-dependent linearized equation of motion is obtained, no runaway trajectories are found but the effective dynamics shows acausality if the cutoff is beyond the classical charge radius. The strength of the radiation reaction force displays a pole in its cutoff-dependence in a manner reminiscent of the Landau-polemore » of perturbative QED. Similarity between the dynamical breakdown of the time reversal invariance and dynamical symmetry breaking is pointed out. -- Highlights: •Extension of the classical action principle for dissipative systems. •New derivation of the Abraham–Lorentz force for a point charge. •Absence of a runaway solution of the Abraham–Lorentz force. •Acausality in classical electrodynamics. •Renormalization of classical electrodynamics of point charges.« less

Mean-field approximation for spacing distribution functions in classical systems.

PubMed

González, Diego Luis; Pimpinelli, Alberto; Einstein, T L

2012-01-01

We propose a mean-field method to calculate approximately the spacing distribution functions p((n))(s) in one-dimensional classical many-particle systems. We compare our method with two other commonly used methods, the independent interval approximation and the extended Wigner surmise. In our mean-field approach, p((n))(s) is calculated from a set of Langevin equations, which are decoupled by using a mean-field approximation. We find that in spite of its simplicity, the mean-field approximation provides good results in several systems. We offer many examples illustrating that the three previously mentioned methods give a reasonable description of the statistical behavior of the system. The physical interpretation of each method is also discussed. © 2012 American Physical Society

A Stratified Acoustic Model Accounting for Phase Shifts for Underwater Acoustic Networks

PubMed Central

Wang, Ping; Zhang, Lin; Li, Victor O. K.

2013-01-01

Accurate acoustic channel models are critical for the study of underwater acoustic networks. Existing models include physics-based models and empirical approximation models. The former enjoy good accuracy, but incur heavy computational load, rendering them impractical in large networks. On the other hand, the latter are computationally inexpensive but inaccurate since they do not account for the complex effects of boundary reflection losses, the multi-path phenomenon and ray bending in the stratified ocean medium. In this paper, we propose a Stratified Acoustic Model (SAM) based on frequency-independent geometrical ray tracing, accounting for each ray's phase shift during the propagation. It is a feasible channel model for large scale underwater acoustic network simulation, allowing us to predict the transmission loss with much lower computational complexity than the traditional physics-based models. The accuracy of the model is validated via comparisons with the experimental measurements in two different oceans. Satisfactory agreements with the measurements and with other computationally intensive classical physics-based models are demonstrated. PMID:23669708

A Note on the Propagation of Quantized Vortex Rings Through a Quantum Turbulence Tangle: Energy Transport or Energy Dissipation?

NASA Astrophysics Data System (ADS)

Laurie, Jason; Baggaley, Andrew W.

2015-07-01

We investigate quantum vortex ring dynamics at scales smaller than the inter-vortex spacing in quantum turbulence. Through geometrical arguments and high-resolution numerical simulations, we examine the validity of simple estimates for the mean free path and the structure of vortex rings post-reconnection. We find that a large proportion of vortex rings remain coherent objects where approximately of their energy is preserved. This leads us to consider the effectiveness of energy transport in turbulent tangles. Moreover, we show that in low density tangles, appropriate for the ultra-quantum regime, ring emission cannot be ruled out as an important mechanism for energy dissipation. However at higher vortex line densities, typically associated with the quasi-classical regime, loop emission is expected to make a negligible contribution to energy dissipation, even allowing for the fact that our work shows rings can survive multiple reconnection events. Hence the Kelvin wave cascade seems the most plausible mechanism leading to energy dissipation.

A novel artificial immune algorithm for spatial clustering with obstacle constraint and its applications.

PubMed

Sun, Liping; Luo, Yonglong; Ding, Xintao; Zhang, Ji

2014-01-01

An important component of a spatial clustering algorithm is the distance measure between sample points in object space. In this paper, the traditional Euclidean distance measure is replaced with innovative obstacle distance measure for spatial clustering under obstacle constraints. Firstly, we present a path searching algorithm to approximate the obstacle distance between two points for dealing with obstacles and facilitators. Taking obstacle distance as similarity metric, we subsequently propose the artificial immune clustering with obstacle entity (AICOE) algorithm for clustering spatial point data in the presence of obstacles and facilitators. Finally, the paper presents a comparative analysis of AICOE algorithm and the classical clustering algorithms. Our clustering model based on artificial immune system is also applied to the case of public facility location problem in order to establish the practical applicability of our approach. By using the clone selection principle and updating the cluster centers based on the elite antibodies, the AICOE algorithm is able to achieve the global optimum and better clustering effect.

Exact solutions for postbuckling of a graded porous beam

NASA Astrophysics Data System (ADS)

Ma, L. S.; Ou, Z. Y.

2018-06-01

An exact, closed-form solution for the postbuckling responses of graded porous beams subjected to axially loading is obtained. It was assumed that the properties of the graded porous materials vary continuously through thickness of the beams, the equations governing the axial and transverse deformations are derived based on the classical beam theory and the physical neutral surface concept. The two equations are reduced to a single nonlinear fourth-order integral-differential equation governing the transverse deformations. The nonlinear equation is directly solved without any use of approximation and a closed-form solution for postbuckled deformation is obtained as a function of the applied load. The exact solutions explicitly describe the nonlinear equilibrium paths of the buckled beam and thus are able to provide insight into deformation problems. Based on the exact solutions obtained herein, the effects of various factors such as porosity distribution pattern, porosity coefficient and boundary conditions on postbuckling behavior of graded porous beams have been investigated.

Laser-Driven Recollisions under the Coulomb Barrier.

PubMed

Keil, Th; Popruzhenko, S V; Bauer, D

2016-12-09

Photoelectron spectra obtained from the ab initio solution of the time-dependent Schrödinger equation can be in striking disagreement with predictions by the strong-field approximation (SFA), not only at low energy but also around twice the ponderomotive energy where the transition from the direct to the rescattered electrons is expected. In fact, the relative enhancement of the ionization probability compared to the SFA in this regime can be several orders of magnitude. We show for which laser and target parameters such an enhancement occurs and for which the SFA prediction is qualitatively good. The enhancement is analyzed in terms of the Coulomb-corrected action along analytic quantum orbits in the complex-time plane, taking soft recollisions under the Coulomb barrier into account. These recollisions in complex time and space prevent a separation into sub-barrier motion up to the "tunnel exit" and subsequent classical dynamics. Instead, the entire quantum path up to the detector determines the ionization probability.

Refinement of the experimental dynamic structure factor for liquid para-hydrogen and ortho-deuterium using semi-classical quantum simulation.

PubMed

Smith, Kyle K G; Poulsen, Jens Aage; Cunsolo, A; Rossky, Peter J

2014-01-21

The dynamic structure factor of liquid para-hydrogen and ortho-deuterium in corresponding thermodynamic states (T = 20.0 K, n = 21.24 nm(-3)) and (T = 23.0 K, n = 24.61 nm(-3)), respectively, has been computed by both the Feynman-Kleinert linearized path-integral (FK-LPI) and Ring-Polymer Molecular Dynamics (RPMD) methods and compared with Inelastic X Ray Scattering spectra. The combined use of computational and experimental methods enabled us to reduce experimental uncertainties in the determination of the true sample spectrum. Furthermore, the refined experimental spectrum of para-hydrogen and ortho-deuterium is consistently reproduced by both FK-LPI and RPMD results at momentum transfers lower than 12.8 nm(-1). At larger momentum transfers the FK-LPI results agree with experiment much better for ortho-deuterium than for para-hydrogen. More specifically we found that for k ∼ 20.0 nm(-1) para-hydrogen provides a test case for improved approximations to quantum dynamics.

A stratified acoustic model accounting for phase shifts for underwater acoustic networks.

PubMed

Wang, Ping; Zhang, Lin; Li, Victor O K

2013-05-13

Accurate acoustic channel models are critical for the study of underwater acoustic networks. Existing models include physics-based models and empirical approximation models. The former enjoy good accuracy, but incur heavy computational load, rendering them impractical in large networks. On the other hand, the latter are computationally inexpensive but inaccurate since they do not account for the complex effects of boundary reflection losses, the multi-path phenomenon and ray bending in the stratified ocean medium. In this paper, we propose a Stratified Acoustic Model (SAM) based on frequency-independent geometrical ray tracing, accounting for each ray's phase shift during the propagation. It is a feasible channel model for large scale underwater acoustic network simulation, allowing us to predict the transmission loss with much lower computational complexity than the traditional physics-based models. The accuracy of the model is validated via comparisons with the experimental measurements in two different oceans. Satisfactory agreements with the measurements and with other computationally intensive classical physics-based models are demonstrated.

The uniform electron gas at warm dense matter conditions

NASA Astrophysics Data System (ADS)

Dornheim, Tobias; Groth, Simon; Bonitz, Michael

2018-05-01

Motivated by the current high interest in the field of warm dense matter research, in this article we review the uniform electron gas (UEG) at finite temperature and over a broad density range relevant for warm dense matter applications. We provide an exhaustive overview of different simulation techniques, focusing on recent developments in the dielectric formalism (linear response theory) and quantum Monte Carlo (QMC) methods. Our primary focus is on two novel QMC methods that have recently allowed us to achieve breakthroughs in the thermodynamics of the warm dense electron gas: Permutation blocking path integral MC (PB-PIMC) and configuration path integral MC (CPIMC). In fact, a combination of PB-PIMC and CPIMC has allowed for a highly accurate description of the warm dense UEG over a broad density-temperature range. We are able to effectively avoid the notorious fermion sign problem, without invoking uncontrolled approximations such as the fixed node approximation. Furthermore, a new finite-size correction scheme is presented that makes it possible to treat the UEG in the thermodynamic limit without loss of accuracy. In addition, we in detail discuss the construction of a parametrization of the exchange-correlation free energy, on the basis of these data - the central thermodynamic quantity that provides a complete description of the UEG and is of crucial importance as input for the simulation of real warm dense matter applications, e.g., via thermal density functional theory. A second major aspect of this review is the use of our ab initio simulation results to test previous theories, including restricted PIMC, finite-temperature Green functions, the classical mapping by Perrot and Dharma-wardana, and various dielectric methods such as the random phase approximation, or the Singwi-Tosi-Land-Sjölander (both in the static and quantum versions), Vashishta-Singwi and the recent Tanaka scheme for the local field correction. Thus, for the first time, thorough benchmarks of the accuracy of important approximation schemes regarding various quantities such as different energies, in particular the exchange-correlation free energy, and the static structure factor, are possible. In the final part of this paper, we outline a way how to rigorously extend our QMC studies to the inhomogeneous electron gas. We present first ab initio data for the static density response and for the static local field correction.

Rainbows in rotationally inelastic scattering: a comparative study of different model potential surfaces and dynamical approximations

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

Schinke, R.; Korsch, H.J.; Poppe, D.

1982-12-15

Rainbow structures in rotationally elastic and inelastic differential cross sections in atom--diatom collisions are investigated by comparison of three model potential energy surfaces labeled I, II, and III which are represented by V(R,..gamma..) = V/sub 0/(R)+V/sub 2/(R)P/sub 2/(cos ..gamma..). The cross sections are calculated within the quantal infinite-order-sudden (IOS) approximation. The anisotropic part V/sub 2/ is the same for all potentials and purely repulsive. The isotropic part V/sub 0/ for potential I is also repulsive and the differential cross sections show the well-studied rotational rainbow structures. Structural changes occur for collisions in potential II and III which have V/sub 0/more » terms being attractive at intermediate and large atom--molecule separations and having well depths of 10% and 25% of the collision energy, respectively. For example, the elastic cross section has no classical rainbow in the case of potential I but three in the case of potential III. The rainbow structures are analyzed within the classical and semiclassical versions of the IOS approximation and interpreted in terms of catastrophe theory. The quantitative comparison of the classical with the quantal IOS cross sections manifests possible quantum effects, i.e., tunneling into nonclassical regions and interference effects due to the superposition of several contributions (up to six in the present study). They can be very prominent and thus we conclude that much caution is needed if experimental data are compared with classical calculations. The accuracy of the IOS approximation is tested by comparison of classical IOS cross sections with cross sections obtained from exact classical trajectory calculations. The agreement is generally good with the exemption of the rainbow region and small angle, rotationally elastic scattering.« less

Electron path control of high-order harmonic generation by a spatially inhomogeneous field

NASA Astrophysics Data System (ADS)

Mohebbi, Masoud; Nazarpoor Malaei, Sakineh

2016-04-01

We theoretically investigate the control of high-order harmonics cut-off and as-pulse generation by a chirped laser field using a metallic bow tie-shaped nanostructure. The numerical results show that the trajectories of the electron wave packet are strongly modified, the short quantum path is enhanced, the long quantum path is suppressed and the low modulated spectrum of the harmonics can be remarkably extended. Our calculated results also show that, by confining electron motion, a broadband supercontinuum with the width of 1670 eV can be produced which directly generates an isolated 34 as-pulse without phase compensation. To explore the underlying mechanism responsible for the cut-off extension and the quantum path selection, we perform time-frequency analysis and a classical simulation based on the three-step model.

Mean Field Variational Bayesian Data Assimilation

NASA Astrophysics Data System (ADS)

Vrettas, M.; Cornford, D.; Opper, M.

2012-04-01

Current data assimilation schemes propose a range of approximate solutions to the classical data assimilation problem, particularly state estimation. Broadly there are three main active research areas: ensemble Kalman filter methods which rely on statistical linearization of the model evolution equations, particle filters which provide a discrete point representation of the posterior filtering or smoothing distribution and 4DVAR methods which seek the most likely posterior smoothing solution. In this paper we present a recent extension to our variational Bayesian algorithm which seeks the most probably posterior distribution over the states, within the family of non-stationary Gaussian processes. Our original work on variational Bayesian approaches to data assimilation sought the best approximating time varying Gaussian process to the posterior smoothing distribution for stochastic dynamical systems. This approach was based on minimising the Kullback-Leibler divergence between the true posterior over paths, and our Gaussian process approximation. So long as the observation density was sufficiently high to bring the posterior smoothing density close to Gaussian the algorithm proved very effective, on lower dimensional systems. However for higher dimensional systems, the algorithm was computationally very demanding. We have been developing a mean field version of the algorithm which treats the state variables at a given time as being independent in the posterior approximation, but still accounts for their relationships between each other in the mean solution arising from the original dynamical system. In this work we present the new mean field variational Bayesian approach, illustrating its performance on a range of classical data assimilation problems. We discuss the potential and limitations of the new approach. We emphasise that the variational Bayesian approach we adopt, in contrast to other variational approaches, provides a bound on the marginal likelihood of the observations given parameters in the model which also allows inference of parameters such as observation errors, and parameters in the model and model error representation, particularly if this is written as a deterministic form with small additive noise. We stress that our approach can address very long time window and weak constraint settings. However like traditional variational approaches our Bayesian variational method has the benefit of being posed as an optimisation problem. We finish with a sketch of the future directions for our approach.

Semi-classical analysis and pseudo-spectra

NASA Astrophysics Data System (ADS)

Davies, E. B.

We prove an approximate spectral theorem for non-self-adjoint operators and investigate its applications to second-order differential operators in the semi-classical limit. This leads to the construction of a twisted FBI transform. We also investigate the connections between pseudo-spectra and boundary conditions in the semi-classical limit.

Short distance modification of the quantum virial theorem

NASA Astrophysics Data System (ADS)

Zhao, Qin; Faizal, Mir; Zaz, Zaid

2017-07-01

In this letter, we will analyse the deformation of a semi-classical gravitational system from minimal measurable length scale. In the semi-classical approximation, the gravitational field will be analysed as a classical field, and the matter fields will be treated quantum mechanically. Thus, using this approximation, this system will be represented by a deformation of Schrödinger-Newton equation by the generalised uncertainty principle (GUP). We will analyse the effects of this GUP deformed Schrödinger-Newton equation on the behaviour of such a semi-classical gravitational system. As the quantum mechanical virial theorem can be obtained using the Schrödinger-Newton equation, a short distance modification of the Schrödinger-Newton equation will also result in a short distance modification of the quantum mechanical virial theorem.

Some formulae for the Zagreb indices of graphs

NASA Astrophysics Data System (ADS)

Cangul, Ismail Naci; Yurttas, Aysun; Togan, Muge; Cevik, Ahmet Sinan

2012-09-01

In this study, we first find formulae for the first and second Zagreb indices and coindices of certain classical graph types including path, cycle, star and complete graphs. Secondly we give similar formulae for the first and second Zagreb coindices.

Optics from Euclid to Huygens.

PubMed

Herzberger, M

1966-09-01

The salient contributions of writers on optics from Euclid to Newton and Huygens are outlined, with a workable bibliography, to encourage present-day workers to restudy the classical writings and to find ideas that lie outside the paths that orthodox optical science has taken.

Mixed semiclassical-classical propagators for the Wigner phase space representation

NASA Astrophysics Data System (ADS)

Koda, Shin-ichi

2016-04-01

We formulate mixed semiclassical-classical (SC-Cl) propagators by adding a further approximation to the phase-space SC propagators, which have been formulated in our previous paper [S. Koda, J. Chem. Phys. 143, 244110 (2015)]. We first show that the stationary phase approximation over the operation of the phase-space van Vleck propagator on initial distribution functions results in the classical mechanical time propagation. Then, after dividing the degrees of freedom (DOFs) of the total system into the semiclassical DOFs and the classical DOFs, the SC-Cl van Vleck propagator and the SC-Cl Herman-Kluk (HK) propagator are derived by performing the stationary phase approximation only with respect to the classical DOFs. These SC-Cl propagators are naturally decomposed to products of the phase-space SC propagators and the classical mechanical propagators when the system does not have any interaction between the semiclassical and the classical DOFs. In addition, we also numerically compare the original phase-space HK (full HK) propagator and the SC-Cl HK propagator in terms of accuracy and efficiency to find that the accuracy of the SC-Cl HK propagator can be comparable to that of the full HK propagator although the latter is more accurate than the former in general. On the other hand, we confirm that the convergence speed of the SC-Cl HK propagator is faster than that of the full HK propagator. The present numerical tests indicate that the SC-Cl HK propagator can be more accurate than the full HK propagator when they use a same and finite number of classical trajectories due to the balance of the accuracy and the efficiency.

Mixed semiclassical-classical propagators for the Wigner phase space representation.

PubMed

Koda, Shin-Ichi

2016-04-21

We formulate mixed semiclassical-classical (SC-Cl) propagators by adding a further approximation to the phase-space SC propagators, which have been formulated in our previous paper [S. Koda, J. Chem. Phys. 143, 244110 (2015)]. We first show that the stationary phase approximation over the operation of the phase-space van Vleck propagator on initial distribution functions results in the classical mechanical time propagation. Then, after dividing the degrees of freedom (DOFs) of the total system into the semiclassical DOFs and the classical DOFs, the SC-Cl van Vleck propagator and the SC-Cl Herman-Kluk (HK) propagator are derived by performing the stationary phase approximation only with respect to the classical DOFs. These SC-Cl propagators are naturally decomposed to products of the phase-space SC propagators and the classical mechanical propagators when the system does not have any interaction between the semiclassical and the classical DOFs. In addition, we also numerically compare the original phase-space HK (full HK) propagator and the SC-Cl HK propagator in terms of accuracy and efficiency to find that the accuracy of the SC-Cl HK propagator can be comparable to that of the full HK propagator although the latter is more accurate than the former in general. On the other hand, we confirm that the convergence speed of the SC-Cl HK propagator is faster than that of the full HK propagator. The present numerical tests indicate that the SC-Cl HK propagator can be more accurate than the full HK propagator when they use a same and finite number of classical trajectories due to the balance of the accuracy and the efficiency.

Bridging the Gap: The 'Soft Path' for Improving Resilience and Adaptability of Water Systems (Invited)

NASA Astrophysics Data System (ADS)

Gleick, P. H.

2010-12-01

The failure of traditional water management systems in the 20th century -- what I call the "hard path for water" -- is evident in several ways, including the persistent inability to meet basic human needs for safe water and adequate sanitation for vast populations, ongoing and accelerating aquatic ecosystem collapses , and growing political disputes over water allocation, management, and use, even in regions where substantial investment in water has been made. Progress in resolving these problems, especially in the face of unavoidable climate changes, growing populations, and constrained financial systems, will require bridging hydrologic and social sciences in new ways. Integrating social and cultural knowledge with new economic and technological tools and classical hydrologic and climatological sciences can produce a new “soft path for water” that offers the opportunity to move toward sustainable water systems. This talk will define the soft path for water and offer examples of innovative steps already being taken along that path in the western United States, South Africa, India, and elsewhere.

Simplified path integral for supersymmetric quantum mechanics and type-A trace anomalies

NASA Astrophysics Data System (ADS)

Bastianelli, Fiorenzo; Corradini, Olindo; Iacconi, Laura

2018-05-01

Particles in a curved space are classically described by a nonlinear sigma model action that can be quantized through path integrals. The latter require a precise regularization to deal with the derivative interactions arising from the nonlinear kinetic term. Recently, for maximally symmetric spaces, simplified path integrals have been developed: they allow to trade the nonlinear kinetic term with a purely quadratic kinetic term (linear sigma model). This happens at the expense of introducing a suitable effective scalar potential, which contains the information on the curvature of the space. The simplified path integral provides a sensible gain in the efficiency of perturbative calculations. Here we extend the construction to models with N = 1 supersymmetry on the worldline, which are applicable to the first quantized description of a Dirac fermion. As an application we use the simplified worldline path integral to compute the type-A trace anomaly of a Dirac fermion in d dimensions up to d = 16.

An approximate formula for recalescence in binary eutectic alloys

NASA Technical Reports Server (NTRS)

Ohsaka, K.; Trinh, E. H.

1993-01-01

In alloys, solidification takes place along various paths which may be ascertained via phase diagrams; while there would be no single formula applicable to all alloys, an approximate formula for a specific solidification path would be useful in estimating the fraction of the solid formed during recalescence. A formulation is here presented of recalescence in binary eutectic alloys. This formula is applied to Ag-Cu alloys which are of interest in containerless solidification, due to their formation of supersaturated solutions.

NetPath: a public resource of curated signal transduction pathways

PubMed Central

2010-01-01

We have developed NetPath as a resource of curated human signaling pathways. As an initial step, NetPath provides detailed maps of a number of immune signaling pathways, which include approximately 1,600 reactions annotated from the literature and more than 2,800 instances of transcriptionally regulated genes - all linked to over 5,500 published articles. We anticipate NetPath to become a consolidated resource for human signaling pathways that should enable systems biology approaches. PMID:20067622

Nearly deterministic quantum Fredkin gate based on weak cross-Kerr nonlinearity

NASA Astrophysics Data System (ADS)

Wu, Yun-xiang; Zhu, Chang-hua; Pei, Chang-xing

2016-09-01

A scheme of an optical quantum Fredkin gate is presented based on weak cross-Kerr nonlinearity. By an auxiliary coherent state with the cross-Kerr nonlinearity effect, photons can interact with each other indirectly, and a non-demolition measurement for photons can be implemented. Combined with the homodyne detection, classical feedforward, polarization beam splitters and Pauli-X operations, a controlled-path gate is constructed. Furthermore, a quantum Fredkin gate is built based on the controlled-path gate. The proposed Fredkin gate is simple in structure and feasible by current experimental technology.

The current development status of the Orbiting Carbon Observatory (OCO) instrument optical design

NASA Technical Reports Server (NTRS)

Haring, Robert; Sutin, Brian; Crisp, David; Pollock, Randy; Sundstrand, Hamilton

2005-01-01

The status of the OCO instrument optical design is presented in this paper. The optical bench assembly comprises three cooled grating spectrometers coupled to an all-reflective telescope/relay system. Dichroic beam splitters are used to separate the light from a common telescope into the three spectral bands. The three bore sighted spectrometers allow the total column CO2 absorption path to be corrected for optical path and surface pressure uncertainties, aerosols, and water vapor. The design of the instrument is based on classic flight proven technologies.

Communication: importance sampling including path correlation in semiclassical initial value representation calculations for time correlation functions.

PubMed

Pan, Feng; Tao, Guohua

2013-03-07

Full semiclassical (SC) initial value representation (IVR) for time correlation functions involves a double phase space average over a set of two phase points, each of which evolves along a classical path. Conventionally, the two initial phase points are sampled independently for all degrees of freedom (DOF) in the Monte Carlo procedure. Here, we present an efficient importance sampling scheme by including the path correlation between the two initial phase points for the bath DOF, which greatly improves the performance of the SC-IVR calculations for large molecular systems. Satisfactory convergence in the study of quantum coherence in vibrational relaxation has been achieved for a benchmark system-bath model with up to 21 DOF.

Capital Growth Paths of the Neoclassical Growth Model

PubMed Central

Takahashi, Taro

2012-01-01

This paper derives the first-order approximated paths of both types of capital in the two-capital neoclassical growth model. The derived capital growth paths reveal that the short-run growth effect of capital injection differs considerably depending on which type of capital is enhanced. This result demonstrates the importance of well-targeted capital enhancement programs such as public sector projects and foreign aid. PMID:23185344

Cuprate High Temperature Superconductors and the Vision for Room Temperature Superconductivity

NASA Astrophysics Data System (ADS)

Newns, Dennis M.; Martyna, Glenn J.; Tsuei, Chang C.

Superconducting transition temperatures of 164 K in cuprate high temperature superconductors (HTS) and recently 200 K in H3S under high pressure encourage us to believe that room temperature superconductivity (RTS) might be possible. In considering paths to RTS, we contrast conventional (BCS) SC, such as probably manifested by H3S, with the unconventional superconductivity (SC) in the cuprate HTS family. Turning to SC models, we show that in the presence of one or more van Hove singularities (vHs) near the Fermi level, SC mediated by classical phonons (kBTc>ℏ×phonon frequency) can occur. The phonon frequency in the standard Tc formula is replaced by an electronic cutoff, enabling a much higher Tc independent of phonon frequency. The resulting Tc and isotope shift plot versus doping strongly resembles that seen experimentally in HTS. A more detailed theory of HTS, which involves mediation by classical phonons, satisfactorily reproduces the chief anomalous features characteristic of these materials. We propose that, while a path to RTS through an H3S-like scenario via strongly-coupled ultra-high frequency phonons is attractive, features perhaps unavailable at ordinary pressures, a route involving SC mediated by classical phonons which can be low frequency may be found.

Comparing laser-based open- and closed-path gas analyzers to measure methane fluxes using the eddy covariance method

USGS Publications Warehouse

Detto, Matteo; Verfaillie, Joseph; Anderson, Frank; Xu, Liukang; Baldocchi, Dennis

2011-01-01

Closed- and open-path methane gas analyzers are used in eddy covariance systems to compare three potential methane emitting ecosystems in the Sacramento-San Joaquin Delta (CA, USA): a rice field, a peatland pasture and a restored wetland. The study points out similarities and differences of the systems in field experiments and data processing. The closed-path system, despite a less intrusive placement with the sonic anemometer, required more care and power. In contrast, the open-path system appears more versatile for a remote and unattended experimental site. Overall, the two systems have comparable minimum detectable limits, but synchronization between wind speed and methane data, air density corrections and spectral losses have different impacts on the computed flux covariances. For the closed-path analyzer, air density effects are less important, but the synchronization and spectral losses may represent a problem when fluxes are small or when an undersized pump is used. For the open-path analyzer air density corrections are greater, due to spectroscopy effects and the classic Webb–Pearman–Leuning correction. Comparison between the 30-min fluxes reveals good agreement in terms of magnitudes between open-path and closed-path flux systems. However, the scatter is large, as consequence of the intensive data processing which both systems require.

[Postmortem imaging studies with data processing and 3D reconstruction: a new path of development of classic forensic medicine?].

PubMed

Woźniak, Krzysztof; Moskała, Artur; Urbanik, Andrzej; Kopacz, Paweł; Kłys, Małgorzata

2009-01-01

The techniques employed in "classic" forensic autopsy have been virtually unchanged for many years. One of the fundamental purposes of forensic documentation is to register as objectively as possible the changes found by forensic pathologists. The authors present the review of techniques of postmortem imaging studies, which aim not only at increased objectivity of observations, but also at extending the scope of the registered data. The paper is illustrated by images originating from research carried out by the authors.

Path-integral isomorphic Hamiltonian for including nuclear quantum effects in non-adiabatic dynamics

NASA Astrophysics Data System (ADS)

Tao, Xuecheng; Shushkov, Philip; Miller, Thomas F.

2018-03-01

We describe a path-integral approach for including nuclear quantum effects in non-adiabatic chemical dynamics simulations. For a general physical system with multiple electronic energy levels, a corresponding isomorphic Hamiltonian is introduced such that Boltzmann sampling of the isomorphic Hamiltonian with classical nuclear degrees of freedom yields the exact quantum Boltzmann distribution for the original physical system. In the limit of a single electronic energy level, the isomorphic Hamiltonian reduces to the familiar cases of either ring polymer molecular dynamics (RPMD) or centroid molecular dynamics Hamiltonians, depending on the implementation. An advantage of the isomorphic Hamiltonian is that it can easily be combined with existing mixed quantum-classical dynamics methods, such as surface hopping or Ehrenfest dynamics, to enable the simulation of electronically non-adiabatic processes with nuclear quantum effects. We present numerical applications of the isomorphic Hamiltonian to model two- and three-level systems, with encouraging results that include improvement upon a previously reported combination of RPMD with surface hopping in the deep-tunneling regime.

Scaling analysis and instantons for thermally assisted tunneling and quantum Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Jiang, Zhang; Smelyanskiy, Vadim N.; Isakov, Sergei V.; Boixo, Sergio; Mazzola, Guglielmo; Troyer, Matthias; Neven, Hartmut

2017-01-01

We develop an instantonic calculus to derive an analytical expression for the thermally assisted tunneling decay rate of a metastable state in a fully connected quantum spin model. The tunneling decay problem can be mapped onto the Kramers escape problem of a classical random dynamical field. This dynamical field is simulated efficiently by path-integral quantum Monte Carlo (QMC). We show analytically that the exponential scaling with the number of spins of the thermally assisted quantum tunneling rate and the escape rate of the QMC process are identical. We relate this effect to the existence of a dominant instantonic tunneling path. The instanton trajectory is described by nonlinear dynamical mean-field theory equations for a single-site magnetization vector, which we solve exactly. Finally, we derive scaling relations for the "spiky" barrier shape when the spin tunneling and QMC rates scale polynomially with the number of spins N while a purely classical over-the-barrier activation rate scales exponentially with N .

19 CFR 12.104g - Specific items or categories designated by agreements or emergency actions.

Code of Federal Regulations, 2014 CFR

2014-04-01

... approximately 9000 B.C.), Pre-Classic, Classic, and Post-Classic Periods of the Pre-Columbian era through the Early and Late Colonial Periods CBP Dec. 13-05. Bolivia Archaeological and Ethnological Material from... from 1500 B.C. to 1530 A.D. and ecclesiastical ethnological material of the Colonial period ranging...

Algorithms for tensor network renormalization

NASA Astrophysics Data System (ADS)

Evenbly, G.

2017-01-01

We discuss in detail algorithms for implementing tensor network renormalization (TNR) for the study of classical statistical and quantum many-body systems. First, we recall established techniques for how the partition function of a 2 D classical many-body system or the Euclidean path integral of a 1 D quantum system can be represented as a network of tensors, before describing how TNR can be implemented to efficiently contract the network via a sequence of coarse-graining transformations. The efficacy of the TNR approach is then benchmarked for the 2 D classical statistical and 1 D quantum Ising models; in particular the ability of TNR to maintain a high level of accuracy over sustained coarse-graining transformations, even at a critical point, is demonstrated.

Quantum and classical ripples in graphene

NASA Astrophysics Data System (ADS)

Hašík, Juraj; Tosatti, Erio; MartoÅák, Roman

2018-04-01

Thermal ripples of graphene are well understood at room temperature, but their quantum counterparts at low temperatures are in need of a realistic quantitative description. Here we present atomistic path-integral Monte Carlo simulations of freestanding graphene, which show upon cooling a striking classical-quantum evolution of height and angular fluctuations. The crossover takes place at ever-decreasing temperatures for ever-increasing wavelengths so that a completely quantum regime is never attained. Zero-temperature quantum graphene is flatter and smoother than classical graphene at large scales yet rougher at short scales. The angular fluctuation distribution of the normals can be quantitatively described by coexistence of two Gaussians, one classical strongly T -dependent and one quantum about 2° wide, of zero-point character. The quantum evolution of ripple-induced height and angular spread should be observable in electron diffraction in graphene and other two-dimensional materials, such as MoS2, bilayer graphene, boron nitride, etc.

Paleomagnetism and the evolution of Pangea

NASA Astrophysics Data System (ADS)

Morel, P.; Irving, E.

1981-03-01

We present new apparent polar wandering (APW) paths for the latest Carboniferous to Middle Jurassic of Europe-northern Asia, North America, and Gondwana. The paths have been constructed by ordering the paleopoles into a time sequence and calculating running averages. Globally, this statistical analysis cannot be carried back before the latest Carboniferous, because the paleomagnetic record becomes inadequate. The polar paths have all been rotated along with the land masses from which they have been observed into the classical configuration of Wegener (Pangea A) as quantified by later workers. The mean paleopoles agree in the Early Jurassic but disagree in the latest Carboniferous, Permian, and Early Triassic. This result is insensitive to reasonable choices made regarding the arrangement of the continents within Gondwana; it is true either for results from Gondwana as a whole or from Africa and South America alone. This disagreement in APW paths suggests (but does not prove) that Pangea A lasted for only a short interval of time in the Early to Middle Jurassic (190-170 m.y.) and perhaps the latest Triassic (200 m.y.). Alternatively, we may say either that the paleomagnetic record is biassed by sampling inadequacies or by systematically incorrect age assignments, or that the earth's field has been non-dipolar. We regard these explanations as less likely, although they cannot be discounted. The polar paths can be reconciled by rotating Gondwana anticlockwise by about 35° relative to Laurasia, placing Africa beneath Europe, and South America beneath eastern North America. This configuration is called Pangea B. Pangea B could be a valid reconstruction for the latest Carboniferous and Early Permian (approximately 290-260 m.y.). Pangea B provides a statistically satisfactory resolution of the paleomagnetic problem. It also provides a symmetrical arrangement of the continents bordering the Appalachian-Hercynian fold belt for the Late Paleozoic (which Pangea A does not), it provides a satisfactory framework for the early evolution of the Gulf of Mexico, and it provides an explanation of the absence of geological evidence for a Tethys ocean in the Paleozoic. The transition between B and A cannot be accurately reconstructed from the paleomagnetic data, because the resolution of the record is as yet inadequate, but it presumably occurred by a 3500-km minimum dextral megashear between Laurasia and Gondwana during the late Permian and Triassic (approximately 250-200 m.y.), without the formation of ocean between them, and was accompanied by lesser motions between North America and Europe. The sense of megashear is the same as that invoked by Arthaud and Matte (1977) on geological grounds, but the magnitude and timing are different. Our interpretation favors the idea that continental drift is a continuous process, not confined to Jurassic and later times, but extending backwards into the Triassic and Permian. We suggest that Pangea was not an immobile configuration as envisaged by Wegener and most subsequent workers but that it evolved more or less continuously.

Numerical simulation of the geodynamo reaches Earth's core dynamical regime

NASA Astrophysics Data System (ADS)

Aubert, J.; Gastine, T.; Fournier, A.

2016-12-01

Numerical simulations of the geodynamo have been successful at reproducing a number of static (field morphology) and kinematic (secular variation patterns, core surface flows and westward drift) features of Earth's magnetic field, making them a tool of choice for the analysis and retrieval of geophysical information on Earth's core. However, classical numerical models have been run in a parameter regime far from that of the real system, prompting the question of whether we do get "the right answers for the wrong reasons", i.e. whether the agreement between models and nature simply occurs by chance and without physical relevance in the dynamics. In this presentation, we show that classical models succeed in describing the geodynamo because their large-scale spatial structure is essentially invariant as one progresses along a well-chosen path in parameter space to Earth's core conditions. This path is constrained by the need to enforce the relevant force balance (MAC or Magneto-Archimedes-Coriolis) and preserve the ratio of the convective overturn and magnetic diffusion times. Numerical simulations performed along this path are shown to be spatially invariant at scales larger than that where the magnetic energy is ohmically dissipated. This property enables the definition of large-eddy simulations that show good agreement with direct numerical simulations in the range where both are feasible, and that can be computed at unprecedented values of the control parameters, such as an Ekman number E=10-8. Combining direct and large-eddy simulations, large-scale invariance is observed over half the logarithmic distance in parameter space between classical models and Earth. The conditions reached at this mid-point of the path are furthermore shown to be representative of the rapidly-rotating, asymptotic dynamical regime in which Earth's core resides, with a MAC force balance undisturbed by viscosity or inertia, the enforcement of a Taylor state and strong-field dynamo action. We conclude that numerical modelling has advanced to a stage where it is possible to use models correctly representing the statics, kinematics and now the dynamics of the geodynamo. This opens the way to a better analysis of the geomagnetic field in the time and space domains.

Tree-level correlations in the strong field regime

NASA Astrophysics Data System (ADS)

Gelis, François

2017-09-01

We consider the correlation function of an arbitrary number of local observables in quantum field theory, in situations where the field amplitude is large. Using a quasi-classical approximation (valid for a highly occupied initial mixed state, or for a coherent initial state if the classical dynamics has instabilities), we show that at tree level these correlations are dominated by fluctuations at the initial time. We obtain a general expression of the correlation functions in terms of the classical solution of the field equation of motion and its derivatives with respect to its initial conditions, that can be arranged graphically as the sum of labeled trees where the nodes are the individual observables, and the links are pairs of derivatives acting on them. For 3-point (and higher) correlation functions, there are additional tree-level terms beyond the quasi-classical approximation, generated by fluctuations in the bulk.

Quantum and classical behavior in interacting bosonic systems

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

Hertzberg, Mark P.

It is understood that in free bosonic theories, the classical field theory accurately describes the full quantum theory when the occupancy numbers of systems are very large. However, the situation is less understood in interacting theories, especially on time scales longer than the dynamical relaxation time. Recently there have been claims that the quantum theory deviates spectacularly from the classical theory on this time scale, even if the occupancy numbers are extremely large. Furthermore, it is claimed that the quantum theory quickly thermalizes while the classical theory does not. The evidence for these claims comes from noticing a spectacular differencemore » in the time evolution of expectation values of quantum operators compared to the classical micro-state evolution. If true, this would have dramatic consequences for many important phenomena, including laboratory studies of interacting BECs, dark matter axions, preheating after inflation, etc. In this work we critically examine these claims. We show that in fact the classical theory can describe the quantum behavior in the high occupancy regime, even when interactions are large. The connection is that the expectation values of quantum operators in a single quantum micro-state are approximated by a corresponding classical ensemble average over many classical micro-states. Furthermore, by the ergodic theorem, a classical ensemble average of local fields with statistical translation invariance is the spatial average of a single micro-state. So the correlation functions of the quantum and classical field theories of a single micro-state approximately agree at high occupancy, even in interacting systems. Furthermore, both quantum and classical field theories can thermalize, when appropriate coarse graining is introduced, with the classical case requiring a cutoff on low occupancy UV modes. We discuss applications of our results.« less

A 15.3 GHz satellite-to-ground diversity propagation experiment using a terminal separation of 4 kilometers

NASA Technical Reports Server (NTRS)

Grimm, K. R.; Hodge, D. B.

1971-01-01

The performance of a path diversity satellite-to-ground millimeter wave link with two ground terminals separated by 4 km is discussed. At this separation distance the duration of fades below 6 dB was decreased by at least a factor of 10 when using path diversity and the cumulative crosscorrelation between the attenuations observed at the two terminals during rain events was approximately 0.45. Narrow beam radiometers directed along the propagation paths were also utilized to relate the path radiometric temperature to the path attenuation. An analysis of downlink propagation data for generating diversity link performance statistics is included.

State Transition Matrix for Perturbed Orbital Motion Using Modified Chebyshev Picard Iteration

NASA Astrophysics Data System (ADS)

Read, Julie L.; Younes, Ahmad Bani; Macomber, Brent; Turner, James; Junkins, John L.

2015-06-01

The Modified Chebyshev Picard Iteration (MCPI) method has recently proven to be highly efficient for a given accuracy compared to several commonly adopted numerical integration methods, as a means to solve for perturbed orbital motion. This method utilizes Picard iteration, which generates a sequence of path approximations, and Chebyshev Polynomials, which are orthogonal and also enable both efficient and accurate function approximation. The nodes consistent with discrete Chebyshev orthogonality are generated using cosine sampling; this strategy also reduces the Runge effect and as a consequence of orthogonality, there is no matrix inversion required to find the basis function coefficients. The MCPI algorithms considered herein are parallel-structured so that they are immediately well-suited for massively parallel implementation with additional speedup. MCPI has a wide range of applications beyond ephemeris propagation, including the propagation of the State Transition Matrix (STM) for perturbed two-body motion. A solution is achieved for a spherical harmonic series representation of earth gravity (EGM2008), although the methodology is suitable for application to any gravity model. Included in this representation the normalized, Associated Legendre Functions are given and verified numerically. Modifications of the classical algorithm techniques, such as rewriting the STM equations in a second-order cascade formulation, gives rise to additional speedup. Timing results for the baseline formulation and this second-order formulation are given.

Double-slit experiment in momentum space

NASA Astrophysics Data System (ADS)

Ivanov, I. P.; Seipt, D.; Surzhykov, A.; Fritzsche, S.

2016-08-01

Young's classic double-slit experiment demonstrates the reality of interference when waves and particles travel simultaneously along two different spatial paths. Here, we propose a double-slit experiment in momentum space, realized in the free-space elastic scattering of vortex electrons. We show that this process proceeds along two paths in momentum space, which are well localized and well separated from each other. For such vortex beams, the (plane-wave) amplitudes along the two paths acquire adjustable phase shifts and produce interference fringes in the final angular distribution. We argue that this experiment can be realized with the present-day technology. We show that it gives experimental access to the Coulomb phase, a quantity which plays an important role in all charged particle scattering but which usual scattering experiments are insensitive to.

Quantum correlation of path-entangled two-photon states in waveguide arrays with defects

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

Dou, Yiling; Xu, Lei; Han, Bin

We study the quantum correlation of path-entangled states of two photons in coupled one-dimensional waveguide arrays with lattice defects. Both off-diagonal and diagonal defects are considered, which show different effects on the quantum correlation of path-entangled two-photon states. Two-photon bunching or anti-bunching effects can be observed and controlled. The two photons are found to have a tendency to bunch at the side lobes with a repulsive off-diagonal defect, and the path-entanglement of the input two-photon state can be preserved during the propagation. We also found that defect modes may play an important role on the two-photon correlation of path-entangled statesmore » in the waveguide arrays. Due to the quantum interference effect, intriguing evolution dynamics of the two-photon correlation matrix elements with oscillation frequencies being either twice of or the same as that of a classical light wave, depending on the position of the correlation matrix element, is observed. Our results show that it is possible to manipulate the two-photon correlation properties of path-entangled states in waveguide arrays with lattice defects.« less

A Lagrangian View of Stratospheric Trace Gas Distributions

NASA Technical Reports Server (NTRS)

Schoeberl, M. R.; Sparling, L.; Dessler, A.; Jackman, C. H.; Fleming, E. L.

1998-01-01

As a result of photochemistry, some relationship between the stratospheric age-of-air and the amount of tracer contained within an air sample is expected. The existence of such a relationship allows inferences about transport history to be made from observations of chemical tracers. This paper lays down the conceptual foundations for the relationship between age and tracer amount, developed within a Lagrangian framework. In general, the photochemical loss depends not only on the age of the parcel but also on its path. We show that under the "average path approximation" that the path variations are less important than parcel age. The average path approximation then allows us to develop a formal relationship between the age spectrum and the tracer spectrum. Using the relation between the tracer and age spectra, tracer-tracer correlations can be interpreted as resulting from mixing which connects parts of the single path photochemistry curve, which is formed purely from the action of photochemistry on an irreducible parcel. This geometric interpretation of mixing gives rise to constraints on trace gas correlations, and explains why some observations are do not fall on rapid mixing curves. This effect is seen in the ATMOS observations.

A novel representation for planning 3-D collision-free paths

NASA Technical Reports Server (NTRS)

Bonner, Susan; Kelley, Robert B.

1990-01-01

A new scheme for the representation of objects, the successive spherical approximation (SSA), facilitates the rapid planning of collision-free paths in a dynamic three-dimensional environment. The hierarchical nature of the SSA allows collisions to be determined efficiently while still providing an exact representation of objects. The rapidity with which collisions can be detected, less than 1 sec per environment object per path, makes it possible to use a generate-and-test path-planning strategy driven by human conceptual knowledge to determine collision-free paths in a matter of seconds on a Sun 3/180 computer. A hierarchy of rules, based on the concept of a free space cell, is used to find heuristically satisfying collision-free paths in a structured environment.

Developing an Action Concept Inventory

ERIC Educational Resources Information Center

McGinness, Lachlan P.; Savage, C. M.

2016-01-01

We report on progress towards the development of an Action Concept Inventory (ACI), a test that measures student understanding of action principles in introductory mechanics and optics. The ACI also covers key concepts of many-paths quantum mechanics, from which classical action physics arises. We used a multistage iterative development cycle for…

The path integral on the Poincaré upper half plane and for Liouville quantum mechanics

NASA Astrophysics Data System (ADS)

Grosche, C.; Steiner, F.

1987-08-01

We present a rigorous path integral treatment of free motion on the Poincaré upper half plane. The Poincaré upper half plane, as a riemannian manifold, has recently become important in string theory and in the theory of quantum chaos. The calculation is done by a time-transformation and the use of the canonical method for determining quantum corrections to the classical lagrangian. Furthermore, we shall show that the same method also works for Liouville quantum mechanics. In both cases, the energy spectrum and the normalized wavefunctions are determined.

Path integration in tactile perception of shapes.

PubMed

Moscatelli, Alessandro; Naceri, Abdeldjallil; Ernst, Marc O

2014-11-01

Whenever we move the hand across a surface, tactile signals provide information about the relative velocity between the skin and the surface. If the system were able to integrate the tactile velocity information over time, cutaneous touch may provide an estimate of the relative displacement between the hand and the surface. Here, we asked whether humans are able to form a reliable representation of the motion path from tactile cues only, integrating motion information over time. In order to address this issue, we conducted three experiments using tactile motion and asked participants (1) to estimate the length of a simulated triangle, (2) to reproduce the shape of a simulated triangular path, and (3) to estimate the angle between two-line segments. Participants were able to accurately indicate the length of the path, whereas the perceived direction was affected by a direction bias (inward bias). The response pattern was thus qualitatively similar to the ones reported in classical path integration studies involving locomotion. However, we explain the directional biases as the result of a tactile motion aftereffect. Copyright © 2014 Elsevier B.V. All rights reserved.

Path Following in the Exact Penalty Method of Convex Programming.

PubMed

Zhou, Hua; Lange, Kenneth

2015-07-01

Classical penalty methods solve a sequence of unconstrained problems that put greater and greater stress on meeting the constraints. In the limit as the penalty constant tends to ∞, one recovers the constrained solution. In the exact penalty method, squared penalties are replaced by absolute value penalties, and the solution is recovered for a finite value of the penalty constant. In practice, the kinks in the penalty and the unknown magnitude of the penalty constant prevent wide application of the exact penalty method in nonlinear programming. In this article, we examine a strategy of path following consistent with the exact penalty method. Instead of performing optimization at a single penalty constant, we trace the solution as a continuous function of the penalty constant. Thus, path following starts at the unconstrained solution and follows the solution path as the penalty constant increases. In the process, the solution path hits, slides along, and exits from the various constraints. For quadratic programming, the solution path is piecewise linear and takes large jumps from constraint to constraint. For a general convex program, the solution path is piecewise smooth, and path following operates by numerically solving an ordinary differential equation segment by segment. Our diverse applications to a) projection onto a convex set, b) nonnegative least squares, c) quadratically constrained quadratic programming, d) geometric programming, and e) semidefinite programming illustrate the mechanics and potential of path following. The final detour to image denoising demonstrates the relevance of path following to regularized estimation in inverse problems. In regularized estimation, one follows the solution path as the penalty constant decreases from a large value.

Path Following in the Exact Penalty Method of Convex Programming

PubMed Central

Zhou, Hua; Lange, Kenneth

2015-01-01

Classical penalty methods solve a sequence of unconstrained problems that put greater and greater stress on meeting the constraints. In the limit as the penalty constant tends to ∞, one recovers the constrained solution. In the exact penalty method, squared penalties are replaced by absolute value penalties, and the solution is recovered for a finite value of the penalty constant. In practice, the kinks in the penalty and the unknown magnitude of the penalty constant prevent wide application of the exact penalty method in nonlinear programming. In this article, we examine a strategy of path following consistent with the exact penalty method. Instead of performing optimization at a single penalty constant, we trace the solution as a continuous function of the penalty constant. Thus, path following starts at the unconstrained solution and follows the solution path as the penalty constant increases. In the process, the solution path hits, slides along, and exits from the various constraints. For quadratic programming, the solution path is piecewise linear and takes large jumps from constraint to constraint. For a general convex program, the solution path is piecewise smooth, and path following operates by numerically solving an ordinary differential equation segment by segment. Our diverse applications to a) projection onto a convex set, b) nonnegative least squares, c) quadratically constrained quadratic programming, d) geometric programming, and e) semidefinite programming illustrate the mechanics and potential of path following. The final detour to image denoising demonstrates the relevance of path following to regularized estimation in inverse problems. In regularized estimation, one follows the solution path as the penalty constant decreases from a large value. PMID:26366044

Geometrical-optics approximation of forward scattering by gradient-index spheres.

PubMed

Li, Xiangzhen; Han, Xiang'e; Li, Renxian; Jiang, Huifen

2007-08-01

By means of geometrical optics we present an approximation method for acceleration of the computation of the scattering intensity distribution within a forward angular range (0-60 degrees ) for gradient-index spheres illuminated by a plane wave. The incident angle of reflected light is determined by the scattering angle, thus improving the approximation accuracy. The scattering angle and the optical path length are numerically integrated by a general-purpose integrator. With some special index models, the scattering angle and the optical path length can be expressed by a unique function and the calculation is faster. This method is proved effective for transparent particles with size parameters greater than 50. It fails to give good approximation results at scattering angles whose refractive rays are in the backward direction. For different index models, the geometrical-optics approximation is effective only for forward angles, typically those less than 60 degrees or when the refractive-index difference of a particle is less than a certain value.

Harmonic-phase path-integral approximation of thermal quantum correlation functions

NASA Astrophysics Data System (ADS)

Robertson, Christopher; Habershon, Scott

2018-03-01

We present an approximation to the thermal symmetric form of the quantum time-correlation function in the standard position path-integral representation. By transforming to a sum-and-difference position representation and then Taylor-expanding the potential energy surface of the system to second order, the resulting expression provides a harmonic weighting function that approximately recovers the contribution of the phase to the time-correlation function. This method is readily implemented in a Monte Carlo sampling scheme and provides exact results for harmonic potentials (for both linear and non-linear operators) and near-quantitative results for anharmonic systems for low temperatures and times that are likely to be relevant to condensed phase experiments. This article focuses on one-dimensional examples to provide insights into convergence and sampling properties, and we also discuss how this approximation method may be extended to many-dimensional systems.

Short paths in expander graphs

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

Kleinberg, J.; Rubinfeld, R.

Graph expansion has proved to be a powerful general tool for analyzing the behavior of routing algorithms and the interconnection networks on which they run. We develop new routing algorithms and structural results for bounded-degree expander graphs. Our results are unified by the fact that they are all based upon, and extend, a body of work asserting that expanders are rich in short, disjoint paths. In particular, our work has consequences for the disjoint paths problem, multicommodify flow, and graph minor containment. We show: (i) A greedy algorithm for approximating the maximum disjoint paths problem achieves a polylogarithmic approximation ratiomore » in bounded-degree expanders. Although our algorithm is both deterministic and on-line, its performance guarantee is an improvement over previous bounds in expanders. (ii) For a multicommodily flow problem with arbitrary demands on a bounded-degree expander, there is a (1 + {epsilon})-optimal solution using only flow paths of polylogarithmic length. It follows that the multicommodity flow algorithm of Awerbuch and Leighton runs in nearly linear time per commodity in expanders. Our analysis is based on establishing the following: given edge weights on an expander G, one can increase some of the weights very slightly so the resulting shortest-path metric is smooth - the min-weight path between any pair of nodes uses a polylogarithmic number of edges. (iii) Every bounded-degree expander on n nodes contains every graph with O(n/log{sup O(1)} n) nodes and edges as a minor.« less

Path Planning For A Class Of Cutting Operations

NASA Astrophysics Data System (ADS)

Tavora, Jose

1989-03-01

Optimizing processing time in some contour-cutting operations requires solving the so-called no-load path problem. This problem is formulated and an approximate resolution method (based on heuristic search techniques) is described. Results for real-life instances (clothing layouts in the apparel industry) are presented and evaluated.

Career Paths and the Superintendency: Women Speak Out

ERIC Educational Resources Information Center

Seyfried, Nancy Hergenrother; Diamantes, Thomas

2005-01-01

The purpose for conducting this study was to explore, with credentialed and qualified women educators, career paths in educational administration. The research was qualitative. Data were collected through focus groups and mailed surveys. Six persons attended two focus groups that lasted approximately 90 minutes each. The interaction of the members…

What is the correct cost functional for variational data assimilation?

NASA Astrophysics Data System (ADS)

Bröcker, Jochen

2018-03-01

Variational approaches to data assimilation, and weakly constrained four dimensional variation (WC-4DVar) in particular, are important in the geosciences but also in other communities (often under different names). The cost functions and the resulting optimal trajectories may have a probabilistic interpretation, for instance by linking data assimilation with maximum aposteriori (MAP) estimation. This is possible in particular if the unknown trajectory is modelled as the solution of a stochastic differential equation (SDE), as is increasingly the case in weather forecasting and climate modelling. In this situation, the MAP estimator (or "most probable path" of the SDE) is obtained by minimising the Onsager-Machlup functional. Although this fact is well known, there seems to be some confusion in the literature, with the energy (or "least squares") functional sometimes been claimed to yield the most probable path. The first aim of this paper is to address this confusion and show that the energy functional does not, in general, provide the most probable path. The second aim is to discuss the implications in practice. Although the mentioned results pertain to stochastic models in continuous time, they do have consequences in practice where SDE's are approximated by discrete time schemes. It turns out that using an approximation to the SDE and calculating its most probable path does not necessarily yield a good approximation to the most probable path of the SDE proper. This suggest that even in discrete time, a version of the Onsager-Machlup functional should be used, rather than the energy functional, at least if the solution is to be interpreted as a MAP estimator.

Geometrical optimization of the transmission and dispersion properties of arrayed waveguide gratings using two stigmatic point mountings.

PubMed

Muñoz, P; Pastor, D; Capmany, J; Martínez, A

2003-09-22

In this paper, the procedure to optimize flat-top Arrayed Waveguide Grating (AWG) devices in terms of transmission and dispersion properties is presented. The systematic procedure consists on the stigmatization and minimization of the Light Path Function (LPF) used in classic planar spectrograph theory. The resulting geometry arrangement for the Arrayed Waveguides (AW) and the Output Waveguides (OW) is not the classical Rowland mounting, but an arbitrary geometry arrangement. Simulation using previous published enhanced modeling show how this geometry reduces the passband ripple, asymmetry and dispersion, in a design example.

New constraints for low-momentum electronic excitations in condensed matter: fundamental consequences from classical and quantum dielectric theory.

PubMed

Chantler, C T; Bourke, J D

2015-11-18

We present new constraints for the transportation behaviour of low-momentum electronic excitations in condensed matter systems, and demonstrate that these have both a fundamental physical interpretation and a significant impact on the description of low-energy inelastic electron scattering. The dispersion behaviour and characteristic lifetime properties of plasmon and single-electron excitations are investigated using popular classical, semi-classical and quantum dielectric models. We find that, irrespective of constrained agreement to the well known high-momentum and high-energy Bethe ridge limit, standard descriptions of low-momentum electron excitations are inconsistent and unphysical. These observations have direct impact on calculations of transport properties such as inelastic mean free paths, stopping powers and escape depths of charged particles in condensed matter systems.

Refinement of the experimental dynamic structure factor for liquid para-hydrogen and ortho-deuterium using semi-classical quantum simulation

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

Smith, Kyle K. G., E-mail: kylesmith@utexas.edu; Rossky, Peter J., E-mail: peter.rossky@austin.utexas.edu; Poulsen, Jens Aage, E-mail: jens72@chem.gu.se

The dynamic structure factor of liquid para-hydrogen and ortho-deuterium in corresponding thermodynamic states (T = 20.0 K, n = 21.24 nm{sup −3}) and (T = 23.0 K, n = 24.61 nm{sup −3}), respectively, has been computed by both the Feynman-Kleinert linearized path-integral (FK-LPI) and Ring-Polymer Molecular Dynamics (RPMD) methods and compared with Inelastic X Ray Scattering spectra. The combined use of computational and experimental methods enabled us to reduce experimental uncertainties in the determination of the true sample spectrum. Furthermore, the refined experimental spectrum of para-hydrogen and ortho-deuterium is consistently reproduced by both FK-LPI and RPMD results at momentum transfers lower than 12.8 nm{sup −1}.more » At larger momentum transfers the FK-LPI results agree with experiment much better for ortho-deuterium than for para-hydrogen. More specifically we found that for k ∼ 20.0 nm{sup −1} para-hydrogen provides a test case for improved approximations to quantum dynamics.« less

Certain approximation problems for functions on the infinite-dimensional torus: Lipschitz spaces

NASA Astrophysics Data System (ADS)

Platonov, S. S.

2018-02-01

We consider some questions about the approximation of functions on the infinite-dimensional torus by trigonometric polynomials. Our main results are analogues of the direct and inverse theorems in the classical theory of approximation of periodic functions and a description of the Lipschitz spaces on the infinite-dimensional torus in terms of the best approximation.

Evaluation of Jacobian determinants by Monte Carlo methods: Application to the quasiclassical approximation in molecular scattering

NASA Technical Reports Server (NTRS)

Labudde, R. A.

1971-01-01

A technique is described which can be used to evaluate Jacobian determinants which occur in classical mechanical and quasiclassical approximation descriptions of molecular scattering. The method may be valuable in the study of reactive scattering using the quasiclassical approximation.

The deep fovea, sideways vision and spiral flight paths in raptors.

PubMed

Tucker, V A

2000-12-01

Raptors - falcons, hawks and eagles in this study - have two regions of the retina in each eye that are specialized for acute vision: the deep fovea and the shallow fovea. The line of sight of the deep fovea points forwards and approximately 45 degrees to the right or left of the head axis, while that of the shallow fovea also points forwards but approximately 15 degrees to the right or left of the head axis. The anatomy of the foveae suggests that the deep fovea has the higher acuity. Several species of raptors in this study repeatedly moved their heads among three positions while looking at an object: straight, with the head axis pointing towards the object; or sideways to the right or left, with the head axis pointing approximately 40 degrees to the side of the object. Since raptors do not rotate their eyes noticeably in the sockets, these movements presumably cause the image of the object to fall on the shallow and deep foveae. The movements occurred approximately every 2 s on average in hawks and falcons, and approximately every 5 s in bald eagles. The proportion of time that the raptors spent looking straight or sideways at an object depended on how far away the object was. At a distances closer than 8 m, they spent more time looking at the object straight, but as the distance increased to 21 m, they spent more time looking at it sideways. At distances of 40 m or more, raptors looked sideways at the object 80 % or more of the time. This dependence of head position on distance suggests that raptors use their more acute sideways vision to look at distant objects and sacrifice acuity for stereoscopic binocular vision to look at close objects. Having their most acute vision towards the side causes a conflict in raptors such as falcons, which dive at prey from great distances at high speeds: at a speed of 70 m s(-)(1), turning their head sideways to view the prey straight ahead with high visual acuity may increase aerodynamic drag by a factor of 2 or more and slow the raptor down. Raptors could resolve this conflict by diving along a logarithmic spiral path with their head straight and one eye looking sideways at the prey, rather than following the straight path to the prey with their head turned sideways. Although the spiral path is longer than the straight path, a mathematical model for an 'ideal falcon' shows that the falcon could reach the prey more quickly along the spiral path because the speed advantage of a straight head more than compensates for the longer path.

Note: A pure-sampling quantum Monte Carlo algorithm with independent Metropolis.

PubMed

Vrbik, Jan; Ospadov, Egor; Rothstein, Stuart M

2016-07-14

Recently, Ospadov and Rothstein published a pure-sampling quantum Monte Carlo algorithm (PSQMC) that features an auxiliary Path Z that connects the midpoints of the current and proposed Paths X and Y, respectively. When sufficiently long, Path Z provides statistical independence of Paths X and Y. Under those conditions, the Metropolis decision used in PSQMC is done without any approximation, i.e., not requiring microscopic reversibility and without having to introduce any G(x → x'; τ) factors into its decision function. This is a unique feature that contrasts with all competing reptation algorithms in the literature. An example illustrates that dependence of Paths X and Y has adverse consequences for pure sampling.

Note: A pure-sampling quantum Monte Carlo algorithm with independent Metropolis

NASA Astrophysics Data System (ADS)

Vrbik, Jan; Ospadov, Egor; Rothstein, Stuart M.

2016-07-01

Recently, Ospadov and Rothstein published a pure-sampling quantum Monte Carlo algorithm (PSQMC) that features an auxiliary Path Z that connects the midpoints of the current and proposed Paths X and Y, respectively. When sufficiently long, Path Z provides statistical independence of Paths X and Y. Under those conditions, the Metropolis decision used in PSQMC is done without any approximation, i.e., not requiring microscopic reversibility and without having to introduce any G(x → x'; τ) factors into its decision function. This is a unique feature that contrasts with all competing reptation algorithms in the literature. An example illustrates that dependence of Paths X and Y has adverse consequences for pure sampling.

Least Squares Procedures.

ERIC Educational Resources Information Center

Hester, Yvette

Least squares methods are sophisticated mathematical curve fitting procedures used in all classical parametric methods. The linear least squares approximation is most often associated with finding the "line of best fit" or the regression line. Since all statistical analyses are correlational and all classical parametric methods are least…

Unsplittable Flow in Paths and Trees and Column-Restricted Packing Integer Programs

NASA Astrophysics Data System (ADS)

Chekuri, Chandra; Ene, Alina; Korula, Nitish

We consider the unsplittable flow problem (UFP) and the closely related column-restricted packing integer programs (CPIPs). In UFP we are given an edge-capacitated graph G = (V,E) and k request pairs R 1, ..., R k , where each R i consists of a source-destination pair (s i ,t i ), a demand d i and a weight w i . The goal is to find a maximum weight subset of requests that can be routed unsplittably in G. Most previous work on UFP has focused on the no-bottleneck case in which the maximum demand of the requests is at most the smallest edge capacity. Inspired by the recent work of Bansal et al. [3] on UFP on a path without the above assumption, we consider UFP on paths as well as trees. We give a simple O(logn) approximation for UFP on trees when all weights are identical; this yields an O(log2 n) approximation for the weighted case. These are the first non-trivial approximations for UFP on trees. We develop an LP relaxation for UFP on paths that has an integrality gap of O(log2 n); previously there was no relaxation with o(n) gap. We also consider UFP in general graphs and CPIPs without the no-bottleneck assumption and obtain new and useful results.

Kinetic Effects in Inertial Confinement Fusion

NASA Astrophysics Data System (ADS)

Kagan, Grigory

2014-10-01

Sharp background gradients, inevitably introduced during ICF implosion, are likely responsible for the discrepancy between the predictions of the standard single-fluid rad-hydro codes and the experimental observations. On the one hand, these gradients drive the inter-ion-species transport, so the fuel composition no longer remains constant, unlike what the single-fluid codes assume. On the other hand, once the background scale is comparable to the mean free path, a fluid description becomes invalid. This point takes on special significance in plasmas, where the particle's mean free path scales with the square of this particle's energy. The distribution function of energetic ions may therefore be far from Maxwellian, even if thermal ions are nearly equilibrated. Ironically, it is these energetic, or tail, ions that are supposed to fuse at the onset of ignition. A combination of studies has been conducted to clarify the role of such kinetic effects on ICF performance. First, transport formalism applicable to multi-component plasmas has been developed. In particular, a novel ``electro-diffusion'' mechanism of the ion species separation has been shown to exist. Equally important, in drastic contrast to the classical case of the neutral gas mixture, thermo-diffusion is predicted to be comparable to, or even much larger than, baro-diffusion. By employing the effective potential theory this formalism has then been generalized to the case of a moderately coupled plasma with multiple ion species, making it applicable to the problem of mix at the shell/fuel interface in ICF implosion. Second, distribution function for the energetic ions has been found from first principles and the fusion reactivity reduction has been calculated for hot-spot relevant conditions. A technique for approximate evaluation of the distribution function has been identified. This finding suggests a path to effectively introducing the tail modification effects into mainline rad-hydro codes, while being in good agreement with the first principle based solution. This work was partially supported by the Laboratory Directed Research and Development (LDRD) program of LANL.

Path Forward to Space Solar Power using the O'Neill - Glaser Model Modified for Climate Change Demand and Considering the Increasing Risk of Human Self-Extinction if Confined to Earth

NASA Technical Reports Server (NTRS)

Curreri, Peter A.; Nall, Mark

2013-01-01

The cost of energy is humanity's economic exchange rate with the universe. Space solar power is the first great step that our technological species has to utilize the energy of its star. The classic Peter Glaser Solar Power Satellite, SPS, and later designs collect a large area of solar energy in space and beam it back to Earth for use in the electric grid, but even with optimistic launch costs and technology innovation a clear economic path is not evident using Earth launch of SPS. O Neill in 1969 solved the transportation costs problem by a model that uses lunar and asteroid materials to build SPS and locates the labor force permanently in space (O Neill free space habitats). This solution closes the economics and predicts large profits after 17-35 years. However the costs of time have up to now prevented this solution. We discuss a strategy to move forward in SPS with the motivations to stop global warming and prevent human selfextinction. There are near term steps that can be taken that place us on this path forward. First, we must reevaluate the technologies for the classic model and update the parameters to current technology. As technological capability continues to increase exponentially, we need to understand when the monetary potential energy hills are small as the technology gets larger. But the chance for self-extinction, if humanity remains in a single vulnerable habitat, also increased exponentially with time. The path forward is to identify investment points while assessing the risks of non-action.

Unified Approximations: A New Approach for Monoprotic Weak Acid-Base Equilibria

ERIC Educational Resources Information Center

Pardue, Harry; Odeh, Ihab N.; Tesfai, Teweldemedhin M.

2004-01-01

The unified approximations reduce the conceptual complexity by combining solutions for a relatively large number of different situations into just two similar sets of processes. Processes used to solve problems by either the unified or classical approximations require similar degrees of understanding of the underlying chemical processes.

Quantum Tunneling from Apparent Horizon of Rainbow-FRW Universe

NASA Astrophysics Data System (ADS)

Lin, Kai; Yang, Shuzheng

2009-07-01

The quantum tunneling from the apparent horizon of rainbow-FRW universe is studied in this paper. We apply the semi-classical approximation, which is put forward by Parikh and Wilczek et al., to research on the scalar field particles tunneling from the apparent horizon of the rainbow-FRW universe, and then use the spin 1/2 Fermions tunneling theory, which brought forward by Kerner and Mann firstly, to research on the Fermions Hawking radiation via semi-classical approximation. Finally, we discuss the meanings of the quantum effect via Finsler geometry.

'Quantum interference with slits' revisited

NASA Astrophysics Data System (ADS)

Rothman, Tony; Boughn, Stephen

2011-01-01

Marcella has presented a straightforward technique employing the Dirac formalism to calculate single- and double-slit interference patterns. He claims that no reference is made to classical optics or scattering theory and that his method therefore provides a purely quantum mechanical description of these experiments. He also presents his calculation as if no approximations are employed. We show that he implicitly makes the same approximations found in classical treatments of interference and that no new physics has been introduced. At the same time, some of the quantum mechanical arguments Marcella gives are, at best, misleading.

Spin-diffusions and diffusive molecular dynamics

NASA Astrophysics Data System (ADS)

Farmer, Brittan; Luskin, Mitchell; Plecháč, Petr; Simpson, Gideon

2017-12-01

Metastable configurations in condensed matter typically fluctuate about local energy minima at the femtosecond time scale before transitioning between local minima after nanoseconds or microseconds. This vast scale separation limits the applicability of classical molecular dynamics (MD) methods and has spurned the development of a host of approximate algorithms. One recently proposed method is diffusive MD which aims at integrating a system of ordinary differential equations describing the likelihood of occupancy by one of two species, in the case of a binary alloy, while quasistatically evolving the locations of the atoms. While diffusive MD has shown itself to be efficient and provide agreement with observations, it is fundamentally a model, with unclear connections to classical MD. In this work, we formulate a spin-diffusion stochastic process and show how it can be connected to diffusive MD. The spin-diffusion model couples a classical overdamped Langevin equation to a kinetic Monte Carlo model for exchange amongst the species of a binary alloy. Under suitable assumptions and approximations, spin-diffusion can be shown to lead to diffusive MD type models. The key assumptions and approximations include a well-defined time scale separation, a choice of spin-exchange rates, a low temperature approximation, and a mean field type approximation. We derive several models from different assumptions and show their relationship to diffusive MD. Differences and similarities amongst the models are explored in a simple test problem.

Confucian Self-Cultivation and Daoist Personhood: Implications for Peace Education

ERIC Educational Resources Information Center

Wang, Hongyu

2013-01-01

This essay argues that the concept of reaching peace within in order to sustain peace outside in classical Confucianism and Daoism offers us important lessons for peace education in the contemporary age. Building harmonious connections between differences in one's personhood paves a path for negotiating interconnections across conflicting…

Lifting the Veil: A Realist Critique of Sistema's Upwardly Mobile Path

ERIC Educational Resources Information Center

Logan, Owen

2016-01-01

El Sistema sits somewhere between a social project and a classical music initiative. However, its promise of delivering upward mobility has not been sufficiently examined as a structural phenomenon which dovetails with critical policy issues in taxation, educational provision, human rights, and welfare. This article argues that Sistema-style…

Non-classical adhesive-bonded joints in practical aerospace construction

NASA Technical Reports Server (NTRS)

Hart-Smith, L. J.

1973-01-01

Solutions are derived for adhesive-bonded joints of non-classical geometries. Particular attention is given to bonded doublers and to selective reinforcement by unidirectional composites. Non-dimensionalized charts are presented for the efficiency limit imposed on the skin as the result of the eccentricity in the load path through the doubler. It is desirable to employ a relativly large doubler to minimize the effective eccentricity in the load path. The transfer stresses associated with selective reinforcement of metal structures by advanced composites are analyzed. Reinforcement of bolt holes in composites by bonded metal doublers is covered quantitatively. Also included is the adhesive joint analysis for shear flow in a multi-cell torque box, in which the bond on one angle becomes more critical sooner than those on the others, thereby restricting the strength to less than the total of each maximum strength when acting alone. Adhesive plasticity and adherend stiffness and thermal imbalances are included. A simple analysis/design technique of solution in terms of upper and lower bounds on an all-plastic adhesive analysis is introduced.

Experimental Apparatus to Observe Dynamical Manifestations of Hamiltonian Monodromy

NASA Astrophysics Data System (ADS)

Nerem, M. Perry; Salmon, Danial; Delos, John; Aubin, Seth

An experiment to observe a topological change in a classical system with nontrivial monodromy is presented. Monodromy is the study of the topological behavior of a system as it evolves along a closed path. If the system does not return to the initial topological state at the end of the circuit, that system exhibits nontrivial monodromy. Such a topological change has been predicted in certain mechanical systems, but has not yet been observed experimentally. One such system is a family of paths in a cylindrically symmetric champagne-bottle potential, with a classically forbidden region centered at the origin. We constructed this system with a long spherically symmetric pendulum and a permanent magnet attached at the end. Magnetic fields from coils are used to create the potential barrier and the external forces to drive the pendulum about a monodromy circuit. A loop of initial conditions, that is initially on one side of the forbidden region, is driven smoothly about this circuit such that it continuously evolves into a loop that surrounds the forbidden region. We will display this phenomena through numerical simulations and hopefully experimental measurement.

Peano-like paths for subaperture polishing of optical aspherical surfaces.

PubMed

Tam, Hon-Yuen; Cheng, Haobo; Dong, Zhichao

2013-05-20

Polishing can be more uniform if the polishing path provides uniform coverage of the surface. It is known that Peano paths can provide uniform coverage of planar surfaces. Peano paths also contain short path segments and turns: (1) all path segments have the same length, (2) path segments are mutually orthogonal at the turns, and (3) path segments and turns are uniformity distributed over the domain surface. These make Peano paths an attractive candidate among polishing tool paths because they enhance multidirectional approaches of the tool to each surface location. A method for constructing Peano paths for uniform coverage of aspherical surfaces is proposed in this paper. When mapped to the aspherical surface, the path also contains short path segments and turns, and the above attributes are approximately preserved. Attention is paid so that the path segments are still well distributed near the vertex of the surface. The proposed tool path was used in the polishing of a number of parabolic BK7 specimens using magnetorheological finishing (MRF) and pitch with cerium oxide. The results were rather good for optical lenses and confirm that a Peano-like path was useful for polishing, for MRF, and for pitch polishing. In the latter case, the surface roughness achieved was 0.91 nm according to WYKO measurement.

On the Anticipatory Aspects of the Four Interactions: what the Known Classical and Semi-Classical Solutions Teach us

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

Lusanna, Luca

2004-08-19

The four (electro-magnetic, weak, strong and gravitational) interactions are described by singular Lagrangians and by Dirac-Bergmann theory of Hamiltonian constraints. As a consequence a subset of the original configuration variables are gauge variables, not determined by the equations of motion. Only at the Hamiltonian level it is possible to separate the gauge variables from the deterministic physical degrees of freedom, the Dirac observables, and to formulate a well posed Cauchy problem for them both in special and general relativity. Then the requirement of causality dictates the choice of retarded solutions at the classical level. However both the problems of themore » classical theory of the electron, leading to the choice of (1/2) (retarded + advanced) solutions, and the regularization of quantum field theory, leading to the Feynman propagator, introduce anticipatory aspects. The determination of the relativistic Darwin potential as a semi-classical approximation to the Lienard-Wiechert solution for particles with Grassmann-valued electric charges, regularizing the Coulomb self-energies, shows that these anticipatory effects live beyond the semi-classical approximation (tree level) under the form of radiative corrections, at least for the electro-magnetic interaction.Talk and 'best contribution' at The Sixth International Conference on Computing Anticipatory Systems CASYS'03, Liege August 11-16, 2003.« less

On the Monte Carlo simulation of electron transport in the sub-1 keV energy range.

PubMed

Thomson, Rowan M; Kawrakow, Iwan

2011-08-01

The validity of "classic" Monte Carlo (MC) simulations of electron and positron transport at sub-1 keV energies is investigated in the context of quantum theory. Quantum theory dictates that uncertainties on the position and energy-momentum four-vectors of radiation quanta obey Heisenberg's uncertainty relation; however, these uncertainties are neglected in "classical" MC simulations of radiation transport in which position and momentum are known precisely. Using the quantum uncertainty relation and electron mean free path, the magnitudes of uncertainties on electron position and momentum are calculated for different kinetic energies; a validity bound on the classical simulation of electron transport is derived. In order to satisfy the Heisenberg uncertainty principle, uncertainties of 5% must be assigned to position and momentum for 1 keV electrons in water; at 100 eV, these uncertainties are 17 to 20% and are even larger at lower energies. In gaseous media such as air, these uncertainties are much smaller (less than 1% for electrons with energy 20 eV or greater). The classical Monte Carlo transport treatment is questionable for sub-1 keV electrons in condensed water as uncertainties on position and momentum must be large (relative to electron momentum and mean free path) to satisfy the quantum uncertainty principle. Simulations which do not account for these uncertainties are not faithful representations of the physical processes, calling into question the results of MC track structure codes simulating sub-1 keV electron transport. Further, the large difference in the scale at which quantum effects are important in gaseous and condensed media suggests that track structure measurements in gases are not necessarily representative of track structure in condensed materials on a micrometer or a nanometer scale.

Communication assisted Localization and Navigation for Networked Robots

DTIC Science & Technology

2005-09-01

developments such as the Mica Mote [23, 24] and the single chip called “Spec” [1] along the path to the ultimate goal of smart dust. Other technologies...path or a path defining a grid , broadcasting GPS coordinates. The sensors incrementally pro- cess all broadcasts they receive to refine their estimated...RAM, 4K EEPROM), a 916 MHz RF transceiver (50Kbits/sec, nominal 30m range), a UART and a 4Mbit serial flash. A Mote runs for approximately one month on

Approximate study of the free vibrations of a cantilever anisotropic plate carrying a concentrated mass

NASA Astrophysics Data System (ADS)

Ciancio, P. M.; Rossit, C. A.; Laura, P. A. A.

2007-05-01

This study is concerned with the vibration analysis of a cantilevered rectangular anisotropic plate when a concentrated mass is rigidly attached to its center point. Based on the classical theory of anisotropic plates, the Ritz method is employed to perform the analysis. The deflection of the plate is approximated by a set of beam functions in each principal coordinate direction. The influence of the mass magnitude on the natural frequencies and modal shapes of vibration is studied for a boron-epoxy plate and also in the case of a generic anisotropic material. The classical Ritz method with beam functions as the spatial approximation proved to be a suitable procedure to solve a problem of this analytical complexity.

Exact and Approximate Probabilistic Symbolic Execution

NASA Technical Reports Server (NTRS)

Luckow, Kasper; Pasareanu, Corina S.; Dwyer, Matthew B.; Filieri, Antonio; Visser, Willem

2014-01-01

Probabilistic software analysis seeks to quantify the likelihood of reaching a target event under uncertain environments. Recent approaches compute probabilities of execution paths using symbolic execution, but do not support nondeterminism. Nondeterminism arises naturally when no suitable probabilistic model can capture a program behavior, e.g., for multithreading or distributed systems. In this work, we propose a technique, based on symbolic execution, to synthesize schedulers that resolve nondeterminism to maximize the probability of reaching a target event. To scale to large systems, we also introduce approximate algorithms to search for good schedulers, speeding up established random sampling and reinforcement learning results through the quantification of path probabilities based on symbolic execution. We implemented the techniques in Symbolic PathFinder and evaluated them on nondeterministic Java programs. We show that our algorithms significantly improve upon a state-of- the-art statistical model checking algorithm, originally developed for Markov Decision Processes.

Spectroscopic method for Earth-satellite-Earth laser long-path absorption measurements using Retroreflector In Space (RIS)

NASA Technical Reports Server (NTRS)

Sugimoto, Nobuo; Minato, Atsushi; Sasano, Yasuhiro

1992-01-01

The Retroreflector in Space (RIS) is a single element cube-corner retroreflector with a diameter of 0.5 m designed for earth-satellite-earth laser long-path absorption experiments. The RIS is to be loaded on the Advanced Earth Observing System (ADEOS) satellite which is scheduled for launch in Feb. 1996. The orbit for ADEOS is a sun synchronous subrecurrent polar-orbit with an inclination of 98.6 deg. It has a period of 101 minutes and an altitude of approximately 800 km. The local time at descending node is 10:15-10:45, and the recurrent period is 41 days. The velocity relative to the ground is approximately 7 km/s. In the RIS experiment, a laser beam transmitted from a ground station is reflected by RIS and received at the ground station. The absorption of the intervening atmosphere is measured in the round-trip optical path.

Radial polar histogram: obstacle avoidance and path planning for robotic cognition and motion control

NASA Astrophysics Data System (ADS)

Wang, Po-Jen; Keyawa, Nicholas R.; Euler, Craig

2012-01-01

In order to achieve highly accurate motion control and path planning for a mobile robot, an obstacle avoidance algorithm that provided a desired instantaneous turning radius and velocity was generated. This type of obstacle avoidance algorithm, which has been implemented in California State University Northridge's Intelligent Ground Vehicle (IGV), is known as Radial Polar Histogram (RPH). The RPH algorithm utilizes raw data in the form of a polar histogram that is read from a Laser Range Finder (LRF) and a camera. A desired open block is determined from the raw data utilizing a navigational heading and an elliptical approximation. The left and right most radii are determined from the calculated edges of the open block and provide the range of possible radial paths the IGV can travel through. In addition, the calculated obstacle edge positions allow the IGV to recognize complex obstacle arrangements and to slow down accordingly. A radial path optimization function calculates the best radial path between the left and right most radii and is sent to motion control for speed determination. Overall, the RPH algorithm allows the IGV to autonomously travel at average speeds of 3mph while avoiding all obstacles, with a processing time of approximately 10ms.

Generalization of the coherent-state path integrals and systematic derivation of semiclassical propagators

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

Koda, Shin-ichi; Takatsuka, Kazuo

The coherent path integral is generalized such that the identity operator represented in a complete (actually overcomplete) set of the coherent states with the ''time-variable'' exponents are inserted between two consecutive short-time propagators. Since such a complete set of any given exponent can constitute the identity operator, the exponent may be varied from time to time without loss of generality as long as it is set common to all the Gaussians. However, a finite truncation of the coherent state expansion should result in different values of the propagator depending on the choice of the exponents. Furthermore, approximation methodology to treatmore » with the exact propagator can also depend on this choice, and thereby many different semiclassical propagators may emerge from these combinations. Indeed, we show that the well-known semiclassical propagators such as those of Van Vleck, Herman-Kluk, Heller's thawed Gaussian, and many others can be derived in a systematic manner, which enables one to comprehend these semiclassical propagators from a unified point of view. We are particularly interested in our generalized form of the Herman-Kluk propagator, since the relative accuracy of this propagator has been well established by Kay, and since, nevertheless, its derivation was not necessarily clear. Thus our generalized Herman-Kluk propagator replaces the classical Hamiltonian with a Gaussian averaged quantum Hamiltonian, generating non-Newtonian trajectories. We perform a numerical test to assess the quality of such a family of generalized Herman-Kluk propagators and find that the original Herman-Kluk gives an accurate result. The reason why this has come about is also discussed.« less

Life-space foam: A medium for motivational and cognitive dynamics

NASA Astrophysics Data System (ADS)

Ivancevic, Vladimir; Aidman, Eugene

2007-08-01

General stochastic dynamics, developed in a framework of Feynman path integrals, have been applied to Lewinian field-theoretic psychodynamics [K. Lewin, Field Theory in Social Science, University of Chicago Press, Chicago, 1951; K. Lewin, Resolving Social Conflicts, and, Field Theory in Social Science, American Psychological Association, Washington, 1997; M. Gold, A Kurt Lewin Reader, the Complete Social Scientist, American Psychological Association, Washington, 1999], resulting in the development of a new concept of life-space foam (LSF) as a natural medium for motivational and cognitive psychodynamics. According to LSF formalisms, the classic Lewinian life space can be macroscopically represented as a smooth manifold with steady force fields and behavioral paths, while at the microscopic level it is more realistically represented as a collection of wildly fluctuating force fields, (loco)motion paths and local geometries (and topologies with holes). A set of least-action principles is used to model the smoothness of global, macro-level LSF paths, fields and geometry. To model the corresponding local, micro-level LSF structures, an adaptive path integral is used, defining a multi-phase and multi-path (multi-field and multi-geometry) transition process from intention to goal-driven action. Application examples of this new approach include (but are not limited to) information processing, motivational fatigue, learning, memory and decision making.

Invariant-based inverse engineering for fluctuation transfer between membranes in an optomechanical cavity system

NASA Astrophysics Data System (ADS)

Chen, Ye-Hong; Shi, Zhi-Cheng; Song, Jie; Xia, Yan

2018-02-01

In this paper, by invariant-based inverse engineering, we design classical driving fields to transfer quantum fluctuations between two suspended membranes in an optomechanical cavity system. The transfer can be quickly attained through a nonadiabatic evolution path determined by a so-called dynamical invariant. Such an evolution path allows one to optimize the occupancies of the unstable "intermediate" states; thus, the influence of cavity decays can be suppressed. Numerical simulation demonstrates that a perfect fluctuation transfer between two membranes can be rapidly achieved in one step, and the transfer is robust to both the amplitude noises and cavity decays.

Classical field configurations and infrared slavery

NASA Astrophysics Data System (ADS)

Swanson, Mark S.

1987-09-01

The problem of determining the energy of two spinor particles interacting through massless-particle exchange is analyzed using the path-integral method. A form for the long-range interaction energy is obtained by analyzing an abridged vertex derived from the parent theory. This abridged vertex describes the radiation of zero-momentum particles by pointlike sources. A path-integral formalism for calculating the energy of the radiation field associated with this abridged vertex is developed and applications are made to determine the energy necessary for adiabatic separation of two sources in quantum electrodynamics and for an SU(2) Yang-Mills theory. The latter theory is shown to be consistent with confinement via infrared slavery.

Reflective ghost imaging through turbulence

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

Hardy, Nicholas D.; Shapiro, Jeffrey H.

2011-12-15

Recent work has indicated that ghost imaging may have applications in standoff sensing. However, most theoretical work has addressed transmission-based ghost imaging. To be a viable remote-sensing system, the ghost imager needs to image rough-surfaced targets in reflection through long, turbulent optical paths. We develop, within a Gaussian-state framework, expressions for the spatial resolution, image contrast, and signal-to-noise ratio of such a system. We consider rough-surfaced targets that create fully developed speckle in their returns and Kolmogorov-spectrum turbulence that is uniformly distributed along all propagation paths. We address both classical and nonclassical optical sources, as well as a computational ghostmore » imager.« less

Classical and non-classical effective medium theories: New perspectives

NASA Astrophysics Data System (ADS)

Tsukerman, Igor

2017-05-01

Future research in electrodynamics of periodic electromagnetic composites (metamaterials) can be expected to produce sophisticated homogenization theories valid for any composition and size of the lattice cell. The paper outlines a promising path in that direction, leading to non-asymptotic and nonlocal homogenization models, and highlights aspects of homogenization that are often overlooked: the finite size of the sample and the role of interface boundaries. Classical theories (e.g. Clausius-Mossotti, Maxwell Garnett), while originally derived from a very different set of ideas, fit well into the proposed framework. Nonlocal effects can be included in the model, making an order-of-magnitude accuracy improvements possible. One future challenge is to determine what effective parameters can or cannot be obtained for a given set of constituents of a metamaterial lattice cell, thereby delineating the possible from the impossible in metamaterial design.

Is approximated de-epithelized glanuloplasty beneficial for hypospadiologist?

PubMed

ZakiEldahshoury, M; Gamal, W; Salem, E; Rashed, E; Mamdouh, A

2016-05-01

Further evaluation of the cosmetic and functional results of approximated de-epithelized glanuloplasty in different degree of hypospadias. This study included 96 male patients (DPH=68 & MPH=28). Patients selected for repair with glans approximation should have wide urethral plate & grooved glans. All cases were repaired with the classic TIP and glans approximation technique. Follow up was for one year by clinical examination of the meatal shape, size & site, glans shape, skin covering, suture line, urethral catheter, edema & fistula in addition to parent satisfaction. Mean operative time was 49±9minutes. As regards the functional and cosmetic outcomes, success was reported in 95.8%, while failure was in 4.16% in the form of glanular disruption in two patients and subcoronal urethrocutaneous fistula in another two patients. Glans approximation has many advantages, good cosmetic and functional results, short operative time, less blood loss, no need for tourniquet. Study of a large number of cases and comparing glans approximation with the classic TIP technique. Copyright © 2015 AEU. Publicado por Elsevier España, S.L.U. All rights reserved.

Development and Demonstration of an Ada Test Generation System

NASA Technical Reports Server (NTRS)

1996-01-01

In this project we have built a prototype system that performs Feasible Path Analysis on Ada programs: given a description of a set of control flow paths through a procedure, and a predicate at a program point feasible path analysis determines if there is input data which causes execution to flow down some path in the collection reaching the point so that tile predicate is true. Feasible path analysis can be applied to program testing, program slicing, array bounds checking, and other forms of anomaly checking. FPA is central to most applications of program analysis. But, because this problem is formally unsolvable, syntactic-based approximations are used in its place. For example, in dead-code analysis the problem is to determine if there are any input values which cause execution to reach a specified program point. Instead an approximation to this problem is computed: determine whether there is a control flow path from the start of the program to the point. This syntactic approximation is efficiently computable and conservative: if there is no such path the program point is clearly unreachable, but if there is such a path, the analysis is inconclusive, and the code is assumed to be live. Such conservative analysis too often yields unsatisfactory results because the approximation is too weak. As another example, consider data flow analysis. A du-pair is a pair of program points such that the first point is a definition of a variable and the second point a use and for which there exists a definition-free path from the definition to the use. The sharper, semantic definition of a du-pair requires that there be a feasible definition-free path from the definition to the use. A compiler using du-pairs for detecting dead variables may miss optimizations by not considering feasibility. Similarly, a program analyzer computing program slices to merge parallel versions may report conflicts where none exist. In the context of software testing, feasibility analysis plays an important role in identifying testing requirements which are infeasible. This is especially true for data flow testing and modified condition/decision coverage. Our system uses in an essential way symbolic analysis and theorem proving technology, and we believe this work represents one of the few successful uses of a theorem prover working in a completely automatic fashion to solve a problem of practical interest. We believe this work anticipates an important trend away from purely syntactic-based methods for program analysis to semantic methods based on symbolic processing and inference technology. Other results demonstrating the practical use of automatic inference is being reported in hardware verification, although there are significant differences between the hardware work and ours. However, what is common and important is that general purpose theorem provers are being integrated with more special-purpose decision procedures to solve problems in analysis and verification. We are pursuina commercial opportunities for this work, and will use and extend the work in other projects we are engaged in. Ultimately we would like to rework the system to analyze C, C++, or Java as a key step toward commercialization.

Vibrational effects in x-ray absorption and resonant inelastic x-ray scattering using a semiclassical scheme

NASA Astrophysics Data System (ADS)

Ljungberg, Mathias P.

2017-12-01

A method is presented for describing vibrational effects in x-ray absorption spectroscopy and resonant inelastic x-ray scattering (RIXS) using a combination of the classical Franck-Condon (FC) approximation and classical trajectories run on the core-excited state. The formulation of RIXS is an extension of the semiclassical Kramers-Heisenberg formalism of Ljungberg et al. [Phys. Rev. B 82, 245115 (2010), 10.1103/PhysRevB.82.245115] to the resonant case, retaining approximately the same computational cost. To overcome difficulties with connecting the absorption and emission processes in RIXS, the classical FC approximation is used for the absorption, which is seen to work well provided that a zero-point-energy correction is included. In the case of core-excited states with dissociative character, the method is capable of closely reproducing the main features for one-dimensional test systems, compared to the quantum-mechanical formulation. Due to the good accuracy combined with the relatively low computational cost, the method has great potential of being used for complex systems with many degrees of freedom, such as liquids and surface adsorbates.

Quad-rotor flight path energy optimization

NASA Astrophysics Data System (ADS)

Kemper, Edward

Quad-Rotor unmanned areal vehicles (UAVs) have been a popular area of research and development in the last decade, especially with the advent of affordable microcontrollers like the MSP 430 and the Raspberry Pi. Path-Energy Optimization is an area that is well developed for linear systems. In this thesis, this idea of path-energy optimization is extended to the nonlinear model of the Quad-rotor UAV. The classical optimization technique is adapted to the nonlinear model that is derived for the problem at hand, coming up with a set of partial differential equations and boundary value conditions to solve these equations. Then, different techniques to implement energy optimization algorithms are tested using simulations in Python. First, a purely nonlinear approach is used. This method is shown to be computationally intensive, with no practical solution available in a reasonable amount of time. Second, heuristic techniques to minimize the energy of the flight path are tested, using Ziegler-Nichols' proportional integral derivative (PID) controller tuning technique. Finally, a brute force look-up table based PID controller is used. Simulation results of the heuristic method show that both reliable control of the system and path-energy optimization are achieved in a reasonable amount of time.

Generalized Ehrenfest Relations, Deformation Quantization, and the Geometry of Inter-model Reduction

NASA Astrophysics Data System (ADS)

Rosaler, Joshua

2018-03-01

This study attempts to spell out more explicitly than has been done previously the connection between two types of formal correspondence that arise in the study of quantum-classical relations: one the one hand, deformation quantization and the associated continuity between quantum and classical algebras of observables in the limit \\hbar → 0, and, on the other, a certain generalization of Ehrenfest's Theorem and the result that expectation values of position and momentum evolve approximately classically for narrow wave packet states. While deformation quantization establishes a direct continuity between the abstract algebras of quantum and classical observables, the latter result makes in-eliminable reference to the quantum and classical state spaces on which these structures act—specifically, via restriction to narrow wave packet states. Here, we describe a certain geometrical re-formulation and extension of the result that expectation values evolve approximately classically for narrow wave packet states, which relies essentially on the postulates of deformation quantization, but describes a relationship between the actions of quantum and classical algebras and groups over their respective state spaces that is non-trivially distinct from deformation quantization. The goals of the discussion are partly pedagogical in that it aims to provide a clear, explicit synthesis of known results; however, the particular synthesis offered aspires to some novelty in its emphasis on a certain general type of mathematical and physical relationship between the state spaces of different models that represent the same physical system, and in the explicitness with which it details the above-mentioned connection between quantum and classical models.

CONTRIBUTIONS TO RATIONAL APPROXIMATION,

DTIC Science & Technology

Some of the key results of linear Chebyshev approximation theory are extended to generalized rational functions. Prominent among these is Haar’s...linear theorem which yields necessary and sufficient conditions for uniqueness. Some new results in the classic field of rational function Chebyshev...Furthermore a Weierstrass type theorem is proven for rational Chebyshev approximation. A characterization theorem for rational trigonometric Chebyshev approximation in terms of sign alternation is developed. (Author)

Diffusion Dynamics and Creative Destruction in a Simple Classical Model

PubMed Central

2015-01-01

ABSTRACT The article explores the impact of the diffusion of new methods of production on output and employment growth and income distribution within a Classical one‐sector framework. Disequilibrium paths are studied analytically and in terms of simulations. Diffusion by differential growth affects aggregate dynamics through several channels. The analysis reveals the non‐steady nature of economic change and shows that the adaptation pattern depends both on the innovation's factor‐saving bias and on the extent of the bias, which determines the strength of the selection pressure on non‐innovators. The typology of different cases developed shows various aspects of Schumpeter's concept of creative destruction. PMID:27642192

Classical verification of quantum circuits containing few basis changes

NASA Astrophysics Data System (ADS)

Demarie, Tommaso F.; Ouyang, Yingkai; Fitzsimons, Joseph F.

2018-04-01

We consider the task of verifying the correctness of quantum computation for a restricted class of circuits which contain at most two basis changes. This contains circuits giving rise to the second level of the Fourier hierarchy, the lowest level for which there is an established quantum advantage. We show that when the circuit has an outcome with probability at least the inverse of some polynomial in the circuit size, the outcome can be checked in polynomial time with bounded error by a completely classical verifier. This verification procedure is based on random sampling of computational paths and is only possible given knowledge of the likely outcome.

Wigner phase space distribution via classical adiabatic switching

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

Bose, Amartya; Makri, Nancy; Department of Physics, University of Illinois, 1110 W. Green Street, Urbana, Illinois 61801

2015-09-21

Evaluation of the Wigner phase space density for systems of many degrees of freedom presents an extremely demanding task because of the oscillatory nature of the Fourier-type integral. We propose a simple and efficient, approximate procedure for generating the Wigner distribution that avoids the computational difficulties associated with the Wigner transform. Starting from a suitable zeroth-order Hamiltonian, for which the Wigner density is available (either analytically or numerically), the phase space distribution is propagated in time via classical trajectories, while the perturbation is gradually switched on. According to the classical adiabatic theorem, each trajectory maintains a constant action if themore » perturbation is switched on infinitely slowly. We show that the adiabatic switching procedure produces the exact Wigner density for harmonic oscillator eigenstates and also for eigenstates of anharmonic Hamiltonians within the Wentzel-Kramers-Brillouin (WKB) approximation. We generalize the approach to finite temperature by introducing a density rescaling factor that depends on the energy of each trajectory. Time-dependent properties are obtained simply by continuing the integration of each trajectory under the full target Hamiltonian. Further, by construction, the generated approximate Wigner distribution is invariant under classical propagation, and thus, thermodynamic properties are strictly preserved. Numerical tests on one-dimensional and dissipative systems indicate that the method produces results in very good agreement with those obtained by full quantum mechanical methods over a wide temperature range. The method is simple and efficient, as it requires no input besides the force fields required for classical trajectory integration, and is ideal for use in quasiclassical trajectory calculations.« less

A Matter of Relevance: Teaching Classics in the 21st Century

ERIC Educational Resources Information Center

Youssef, Lamiaa

2010-01-01

In a world literature course, an instructor faces the challenge of engaging the students in classical texts that are historically, geographically, and linguistically "alien" to them. Through a three-step instructional model that includes approximation, thematic relevance, and application, the instructor tries to help students identify,…

Secret loss of unitarity due to the classical background

NASA Astrophysics Data System (ADS)

Yang, I.-Sheng

2017-07-01

We show that a quantum subsystem can become significantly entangled with a classical background through a process with few or no semiclassical backreactions. We study two quantum harmonic oscillators coupled to each other in a time-independent Hamiltonian. We compare it to its semiclassical approximation in which one of the oscillators is treated as the classical background. In this approximation, the remaining quantum oscillator has an effective Hamiltonian which is time-dependent, and its evolution appears to be unitary. However, in the fully quantum model, the two oscillators can entangle each other. Thus, the unitarity of either individual oscillator is never guaranteed. We derive the critical time scale after which the unitarity of either individual oscillator is irrevocably lost. In particular, we give an example that in the adiabatic limit, unitarity is lost before other relevant questions can be addressed.

Approaching the Brachistochrone Using Inclined Planes--Striving for Shortest or Equal Travelling Times

ERIC Educational Resources Information Center

Theilmann, Florian

2017-01-01

The classical "brachistochrone" problem asks for the path on which a mobile point M just driven by its own gravity will travel in the shortest possible time between two given points "A" and "B." The resulting curve, the cycloid, will also be the "tautochrone" curve, i.e. the travelling time of the mobile…

Finding the Groove: A Grounded Theory Study on Leading Others to a Productive Path

ERIC Educational Resources Information Center

Williams, Roshann Reed

2011-01-01

Finding the groove was systematically discovered directly from data following the classical grounded theory methodology developed by Glaser and Strauss (1967) and further developed by Glaser (1965, 1978, 1992, 1998, 2001). This basic social process emerged from data as the pattern of behavior that leaders proceed through to increase performer…

A Classical Trajectory Study of the Dissociation and Isomerization of C2H5

DTIC Science & Technology

2013-01-01

modifications are possible but would be sensible only in the context of systematic ab initio calculations to provide the basis for such changes. As the... Ciudad , T.; Ramírez, R.; Schulte, J.; Böhm, M. C. Anharmonic Effects on the Structural and Vibrational Properties of the Ethyl Radical: A Path Integral

Hybrid quantum and classical methods for computing kinetic isotope effects of chemical reactions in solutions and in enzymes.

PubMed

Gao, Jiali; Major, Dan T; Fan, Yao; Lin, Yen-Lin; Ma, Shuhua; Wong, Kin-Yiu

2008-01-01

A method for incorporating quantum mechanics into enzyme kinetics modeling is presented. Three aspects are emphasized: 1) combined quantum mechanical and molecular mechanical methods are used to represent the potential energy surface for modeling bond forming and breaking processes, 2) instantaneous normal mode analyses are used to incorporate quantum vibrational free energies to the classical potential of mean force, and 3) multidimensional tunneling methods are used to estimate quantum effects on the reaction coordinate motion. Centroid path integral simulations are described to make quantum corrections to the classical potential of mean force. In this method, the nuclear quantum vibrational and tunneling contributions are not separable. An integrated centroid path integral-free energy perturbation and umbrella sampling (PI-FEP/UM) method along with a bisection sampling procedure was summarized, which provides an accurate, easily convergent method for computing kinetic isotope effects for chemical reactions in solution and in enzymes. In the ensemble-averaged variational transition state theory with multidimensional tunneling (EA-VTST/MT), these three aspects of quantum mechanical effects can be individually treated, providing useful insights into the mechanism of enzymatic reactions. These methods are illustrated by applications to a model process in the gas phase, the decarboxylation reaction of N-methyl picolinate in water, and the proton abstraction and reprotonation process catalyzed by alanine racemase. These examples show that the incorporation of quantum mechanical effects is essential for enzyme kinetics simulations.

Consider a non-spherical elephant: computational fluid dynamics simulations of heat transfer coefficients and drag verified using wind tunnel experiments.

PubMed

Dudley, Peter N; Bonazza, Riccardo; Porter, Warren P

2013-07-01

Animal momentum and heat transfer analysis has historically used direct animal measurements or approximations to calculate drag and heat transfer coefficients. Research can now use modern 3D rendering and computational fluid dynamics software to simulate animal-fluid interactions. Key questions are the level of agreement between simulations and experiments and how superior they are to classical approximations. In this paper we compared experimental and simulated heat transfer and drag calculations on a scale model solid aluminum African elephant casting. We found good agreement between experimental and simulated data and large differences from classical approximations. We used the simulation results to calculate coefficients for heat transfer and drag of the elephant geometry. Copyright © 2013 Wiley Periodicals, Inc.

Vibration-translation energy transfer in anharmonic diatomic molecules. 1: A critical evaluation of the semiclassical approximation

NASA Technical Reports Server (NTRS)

Mckenzie, R. L.

1974-01-01

The semiclassical approximation is applied to anharmonic diatomic oscillators in excited initial states. Multistate numerical solutions giving the vibrational transition probabilities for collinear collisions with an inert atom are compared with equivalent, exact quantum-mechanical calculations. Several symmetrization methods are shown to correlate accurately the predictions of both theories for all initial states, transitions, and molecular types tested, but only if coupling of the oscillator motion and the classical trajectory of the incident particle is considered. In anharmonic heteronuclear molecules, the customary semiclassical method of computing the classical trajectory independently leads to transition probabilities with anomalous low-energy resonances. Proper accounting of the effects of oscillator compression and recoil on the incident particle trajectory removes the anomalies and restores the applicability of the semiclassical approximation.

A quantum analogy to the classical gravitomagnetic clock effect

NASA Astrophysics Data System (ADS)

Faruque, S. B.

2018-06-01

We present an approximation to the solution of Dirac equation in Schwarzschild field found through the use of Foldy-Wouthuysen Hamiltonian. We solve the equation for the positive energy states and found the frequencies by which the states oscillate. Difference of the periods of oscillation of the two states with two different total angular momentum quantum number j has an analogical form of the classical clock effect found in general relativity. But unlike the term that appears as clock effect in classical physics, here the term is quantized. Thus, we find a quantum analogue of the classical gravitomagnetic clock effect.

Viète's Formula and an Error Bound without Taylor's Theorem

ERIC Educational Resources Information Center

Boucher, Chris

2018-01-01

This note presents a derivation of Viète's classic product approximation of pi that relies on only the Pythagorean Theorem. We also give a simple error bound for the approximation that, while not optimal, still reveals the exponential convergence of the approximation and whose derivation does not require Taylor's Theorem.

An approximation technique for predicting the transient response of a second order nonlinear equation

NASA Technical Reports Server (NTRS)

Laurenson, R. M.; Baumgarten, J. R.

1975-01-01

An approximation technique has been developed for determining the transient response of a nonlinear dynamic system. The nonlinearities in the system which has been considered appear in the system's dissipation function. This function was expressed as a second order polynomial in the system's velocity. The developed approximation is an extension of the classic Kryloff-Bogoliuboff technique. Two examples of the developed approximation are presented for comparative purposes with other approximation methods.

Safety drain system for fluid reservoir

NASA Technical Reports Server (NTRS)

England, John Dwight (Inventor); Kelley, Anthony R. (Inventor); Cronise, Raymond J. (Inventor)

2012-01-01

A safety drain system includes a plurality of drain sections, each of which defines distinct fluid flow paths. At least a portion of the fluid flow paths commence at a side of the drain section that is in fluid communication with a reservoir's fluid. Each fluid flow path at the side communicating with the reservoir's fluid defines an opening having a smallest dimension not to exceed approximately one centimeter. The drain sections are distributed over at least one surface of the reservoir. A manifold is coupled to the drain sections.

Path integral pricing of Wasabi option in the Black-Scholes model

NASA Astrophysics Data System (ADS)

Cassagnes, Aurelien; Chen, Yu; Ohashi, Hirotada

2014-11-01

In this paper, using path integral techniques, we derive a formula for a propagator arising in the study of occupation time derivatives. Using this result we derive a fair price for the case of the cumulative Parisian option. After confirming the validity of the derived result using Monte Carlo simulation, a new type of heavily path dependent derivative product is investigated. We derive an approximation for our so-called Wasabi option fair price and check the accuracy of our result with a Monte Carlo simulation.

Kleinberg Complex Networks

DTIC Science & Technology

2014-10-21

linear combinations of paths. This project featured research on two classes of routing problems , namely traveling salesman problems and multicommodity...flows. One highlight of this research was our discovery of a polynomial-time algorithm for the metric traveling salesman s-t path problem whose...metric TSP would resolve one of the most venerable open problems in the theory of approximation algorithms. Our research on traveling salesman

Exactly solved models on planar graphs with vertices in {Z}^3

NASA Astrophysics Data System (ADS)

Kels, Andrew P.

2017-12-01

It is shown how exactly solved edge interaction models on the square lattice, may be extended onto more general planar graphs, with edges connecting a subset of next nearest neighbour vertices of {Z}3 . This is done by using local deformations of the square lattice, that arise through the use of the star-triangle relation. Similar to Baxter’s Z-invariance property, these local deformations leave the partition function invariant up to some simple factors coming from the star-triangle relation. The deformations used here extend the usual formulation of Z-invariance, by requiring the introduction of oriented rapidity lines which form directed closed paths in the rapidity graph of the model. The quasi-classical limit is also considered, in which case the deformations imply a classical Z-invariance property, as well as a related local closure relation, for the action functional of a system of classical discrete Laplace equations.

Principles of Discrete Time Mechanics

NASA Astrophysics Data System (ADS)

Jaroszkiewicz, George

2014-04-01

1. Introduction; 2. The physics of discreteness; 3. The road to calculus; 4. Temporal discretization; 5. Discrete time dynamics architecture; 6. Some models; 7. Classical cellular automata; 8. The action sum; 9. Worked examples; 10. Lee's approach to discrete time mechanics; 11. Elliptic billiards; 12. The construction of system functions; 13. The classical discrete time oscillator; 14. Type 2 temporal discretization; 15. Intermission; 16. Discrete time quantum mechanics; 17. The quantized discrete time oscillator; 18. Path integrals; 19. Quantum encoding; 20. Discrete time classical field equations; 21. The discrete time Schrodinger equation; 22. The discrete time Klein-Gordon equation; 23. The discrete time Dirac equation; 24. Discrete time Maxwell's equations; 25. The discrete time Skyrme model; 26. Discrete time quantum field theory; 27. Interacting discrete time scalar fields; 28. Space, time and gravitation; 29. Causality and observation; 30. Concluding remarks; Appendix A. Coherent states; Appendix B. The time-dependent oscillator; Appendix C. Quaternions; Appendix D. Quantum registers; References; Index.

Implementation of quantum and classical discrete fractional Fourier transforms.

PubMed

Weimann, Steffen; Perez-Leija, Armando; Lebugle, Maxime; Keil, Robert; Tichy, Malte; Gräfe, Markus; Heilmann, René; Nolte, Stefan; Moya-Cessa, Hector; Weihs, Gregor; Christodoulides, Demetrios N; Szameit, Alexander

2016-03-23

Fourier transforms, integer and fractional, are ubiquitous mathematical tools in basic and applied science. Certainly, since the ordinary Fourier transform is merely a particular case of a continuous set of fractional Fourier domains, every property and application of the ordinary Fourier transform becomes a special case of the fractional Fourier transform. Despite the great practical importance of the discrete Fourier transform, implementation of fractional orders of the corresponding discrete operation has been elusive. Here we report classical and quantum optical realizations of the discrete fractional Fourier transform. In the context of classical optics, we implement discrete fractional Fourier transforms of exemplary wave functions and experimentally demonstrate the shift theorem. Moreover, we apply this approach in the quantum realm to Fourier transform separable and path-entangled biphoton wave functions. The proposed approach is versatile and could find applications in various fields where Fourier transforms are essential tools.

Implementation of quantum and classical discrete fractional Fourier transforms

PubMed Central

Weimann, Steffen; Perez-Leija, Armando; Lebugle, Maxime; Keil, Robert; Tichy, Malte; Gräfe, Markus; Heilmann, René; Nolte, Stefan; Moya-Cessa, Hector; Weihs, Gregor; Christodoulides, Demetrios N.; Szameit, Alexander

2016-01-01

Fourier transforms, integer and fractional, are ubiquitous mathematical tools in basic and applied science. Certainly, since the ordinary Fourier transform is merely a particular case of a continuous set of fractional Fourier domains, every property and application of the ordinary Fourier transform becomes a special case of the fractional Fourier transform. Despite the great practical importance of the discrete Fourier transform, implementation of fractional orders of the corresponding discrete operation has been elusive. Here we report classical and quantum optical realizations of the discrete fractional Fourier transform. In the context of classical optics, we implement discrete fractional Fourier transforms of exemplary wave functions and experimentally demonstrate the shift theorem. Moreover, we apply this approach in the quantum realm to Fourier transform separable and path-entangled biphoton wave functions. The proposed approach is versatile and could find applications in various fields where Fourier transforms are essential tools. PMID:27006089

A Phase 2 Study of Continuous Subcutaneous Hydrocortisone Infusion in Adults With Congenital Adrenal Hyperplasia.

PubMed

Nella, Aikaterini A; Mallappa, Ashwini; Perritt, Ashley F; Gounden, Verena; Kumar, Parag; Sinaii, Ninet; Daley, Lori-Ann; Ling, Alexander; Liu, Chia-Ying; Soldin, Steven J; Merke, Deborah P

2016-12-01

Classic congenital adrenal hyperplasia (CAH) management remains challenging, given that supraphysiologic glucocorticoid doses are often needed to optimally suppress the ACTH-driven adrenal androgen overproduction. This study sought to approximate physiologic cortisol secretion via continuous subcutaneous hydrocortisone infusion (CSHI) and evaluate the safety and efficacy of CSHI in patients with difficult-to-treat CAH. Eight adult patients with classic CAH participated in a single-center open-label phase I-II study comparing CSHI to conventional oral glucocorticoid treatment. All patients had elevated adrenal steroids and one or more comorbidities at study entry. Assessment while receiving conventional therapy at baseline and 6 months following CSHI included: 24-hour hormonal sampling, metabolic and radiologic evaluation, health-related quality-of-life (HRQoL), and fatigue questionnaires. The ability of CSHI to approximate physiologic cortisol secretion and the percent of patients with 0700-hour 17-hydroxyprogesterone (17-OHP) ≤1200 ng/dL was measured. CSHI approximated physiologic cortisol secretion. Compared with baseline, 6 months of CSHI resulted in decreased 0700-hour and 24-hour area under the curve 17-OHP, androstenedione, ACTH, and progesterone, increased osteocalcin, c-telopeptide and lean mass, and improved HRQoL (and SF-36 Vitality Score), and fatigue. One of three amenorrheic women resumed menses. One man had reduction of testicular adrenal rest tissue. CSHI is a safe and well-tolerated modality of cortisol replacement that effectively approximates physiologic cortisol secretion in patients with classic CAH poorly controlled on conventional therapy. Improved adrenal steroid control and positive effects on HRQoL suggest that CSHI should be considered a treatment option for classic CAH. The long-term effect on established comorbidities requires further study.

A Phase 2 Study of Continuous Subcutaneous Hydrocortisone Infusion in Adults With Congenital Adrenal Hyperplasia

PubMed Central

Mallappa, Ashwini; Perritt, Ashley F.; Gounden, Verena; Kumar, Parag; Sinaii, Ninet; Daley, Lori-Ann; Ling, Alexander; Liu, Chia-Ying; Soldin, Steven J.; Merke, Deborah P.

2016-01-01

Context: Classic congenital adrenal hyperplasia (CAH) management remains challenging, given that supraphysiologic glucocorticoid doses are often needed to optimally suppress the ACTH-driven adrenal androgen overproduction. Objective: This study sought to approximate physiologic cortisol secretion via continuous subcutaneous hydrocortisone infusion (CSHI) and evaluate the safety and efficacy of CSHI in patients with difficult-to-treat CAH. Design: Eight adult patients with classic CAH participated in a single-center open-label phase I–II study comparing CSHI to conventional oral glucocorticoid treatment. All patients had elevated adrenal steroids and one or more comorbidities at study entry. Assessment while receiving conventional therapy at baseline and 6 months following CSHI included: 24-hour hormonal sampling, metabolic and radiologic evaluation, health-related quality-of-life (HRQoL), and fatigue questionnaires. Main Outcome Measures: The ability of CSHI to approximate physiologic cortisol secretion and the percent of patients with 0700-hour 17-hydroxyprogesterone (17-OHP) ≤1200 ng/dL was measured. Results: CSHI approximated physiologic cortisol secretion. Compared with baseline, 6 months of CSHI resulted in decreased 0700-hour and 24-hour area under the curve 17-OHP, androstenedione, ACTH, and progesterone, increased osteocalcin, c-telopeptide and lean mass, and improved HRQoL (and SF-36 Vitality Score), and fatigue. One of three amenorrheic women resumed menses. One man had reduction of testicular adrenal rest tissue. Conclusions: CSHI is a safe and well-tolerated modality of cortisol replacement that effectively approximates physiologic cortisol secretion in patients with classic CAH poorly controlled on conventional therapy. Improved adrenal steroid control and positive effects on HRQoL suggest that CSHI should be considered a treatment option for classic CAH. The long-term effect on established comorbidities requires further study. PMID:27680873

Linear and nonlinear dynamic analysis of redundant load path bearingless rotor systems

NASA Technical Reports Server (NTRS)

Murthy, V. R.

1985-01-01

The bearingless rotorcraft offers reduced weight, less complexity and superior flying qualities. Almost all the current industrial structural dynamic programs of conventional rotors which consist of single load path rotor blades employ the transfer matrix method to determine natural vibration characteristics because this method is ideally suited for one dimensional chain like structures. This method is extended to multiple load path rotor blades without resorting to an equivalent single load path approximation. Unlike the conventional blades, it isk necessary to introduce the axial-degree-of-freedom into the solution process to account for the differential axial displacements in the different load paths. With the present extension, the current rotor dynamic programs can be modified with relative ease to account for the multiple load paths without resorting to the equivalent single load path modeling. The results obtained by the transfer matrix method are validated by comparing with the finite element solutions. A differential stiffness matrix due to blade rotation is derived to facilitate the finite element solutions.

Path integral molecular dynamics for exact quantum statistics of multi-electronic-state systems.

PubMed

Liu, Xinzijian; Liu, Jian

2018-03-14

An exact approach to compute physical properties for general multi-electronic-state (MES) systems in thermal equilibrium is presented. The approach is extended from our recent progress on path integral molecular dynamics (PIMD), Liu et al. [J. Chem. Phys. 145, 024103 (2016)] and Zhang et al. [J. Chem. Phys. 147, 034109 (2017)], for quantum statistical mechanics when a single potential energy surface is involved. We first define an effective potential function that is numerically favorable for MES-PIMD and then derive corresponding estimators in MES-PIMD for evaluating various physical properties. Its application to several representative one-dimensional and multi-dimensional models demonstrates that MES-PIMD in principle offers a practical tool in either of the diabatic and adiabatic representations for studying exact quantum statistics of complex/large MES systems when the Born-Oppenheimer approximation, Condon approximation, and harmonic bath approximation are broken.

Path integral molecular dynamics for exact quantum statistics of multi-electronic-state systems

NASA Astrophysics Data System (ADS)

Liu, Xinzijian; Liu, Jian

2018-03-01

An exact approach to compute physical properties for general multi-electronic-state (MES) systems in thermal equilibrium is presented. The approach is extended from our recent progress on path integral molecular dynamics (PIMD), Liu et al. [J. Chem. Phys. 145, 024103 (2016)] and Zhang et al. [J. Chem. Phys. 147, 034109 (2017)], for quantum statistical mechanics when a single potential energy surface is involved. We first define an effective potential function that is numerically favorable for MES-PIMD and then derive corresponding estimators in MES-PIMD for evaluating various physical properties. Its application to several representative one-dimensional and multi-dimensional models demonstrates that MES-PIMD in principle offers a practical tool in either of the diabatic and adiabatic representations for studying exact quantum statistics of complex/large MES systems when the Born-Oppenheimer approximation, Condon approximation, and harmonic bath approximation are broken.

Interest rates in quantum finance: Caps, swaptions and bond options

NASA Astrophysics Data System (ADS)

Baaquie, Belal E.

2010-01-01

The prices of the main interest rate options in the financial markets, derived from the Libor (London Interbank Overnight Rate), are studied in the quantum finance model of interest rates. The option prices show new features for the Libor Market Model arising from the fact that, in the quantum finance formulation, all the different Libor payments are coupled and (imperfectly) correlated. Black’s caplet formula for quantum finance is given an exact path integral derivation. The coupon and zero coupon bond options as well as the Libor European and Asian swaptions are derived in the framework of quantum finance. The approximate Libor option prices are derived using the volatility expansion. The BGM-Jamshidian (Gatarek et al. (1996) [1], Jamshidian (1997) [2]) result for the Libor swaption prices is obtained as the limiting case when all the Libors are exactly correlated. A path integral derivation is given of the approximate BGM-Jamshidian approximate price.

Java PathExplorer: A Runtime Verification Tool

NASA Technical Reports Server (NTRS)

Havelund, Klaus; Rosu, Grigore; Clancy, Daniel (Technical Monitor)

2001-01-01

We describe recent work on designing an environment called Java PathExplorer for monitoring the execution of Java programs. This environment facilitates the testing of execution traces against high level specifications, including temporal logic formulae. In addition, it contains algorithms for detecting classical error patterns in concurrent programs, such as deadlocks and data races. An initial prototype of the tool has been applied to the executive module of the planetary Rover K9, developed at NASA Ames. In this paper we describe the background and motivation for the development of this tool, including comments on how it relates to formal methods tools as well as to traditional testing, and we then present the tool itself.

Phase selection during crystallization of undercooled liquid eutectic lead-tin alloys

NASA Technical Reports Server (NTRS)

Fecht, H. J.

1991-01-01

During rapid solidification substantial amounts of undercooling are in general required for formation of metastable phases. Crystallization at varying levels of undercooling and melting of metastable phases were studied during slow cooling and heating of emulsified PB-Sn alloys. Besides the experimental demonstration of the reversibility of metastable phase equilibra, two different principal solidification paths have been identified and compared with the established metastable phase diagram and predictions from classical nucleation theory. The results suggest that the most probable solidification path is described by the 'step rule' resulting in the formation of metastable phases at low undercooling, whereas the stable eutectic phase mixture crystallizes without metastable phase formation at high undercooling.

Resolving Risks in Individual Astronauts: A New Paradigm for Critical Path Exposures

NASA Technical Reports Server (NTRS)

Richmond, Robert C.

2005-01-01

The limited number of astronauts available for risk-assessment prevents classic epidemiologic study, and thereby requires alternative approach to assessing risks within individual astronauts exposed to toxic agents identified within the Bioastronautics Critical Path Roadmap (BCPR). Developing a system of noninvasive real-time biodosimetry that provides large datasets for analyses before, during, and after missions for simultaneously determining 1) the kinds of toxic insult, 2) the degree of that insult, both within tissues absorbing that insult, would be usehl for resolving statistically significant risk-assessment in individual astronauts. Therefore, a currently achievable multiparametric paradigm is presented for use in analyzing gene-expression and protein-expression so as to establish predictive outcomes.

A superparticle on the super Riemann surface

NASA Astrophysics Data System (ADS)

Matsumoto, Shuji; Uehara, Shozo; Yasui, Yukinori

1990-02-01

The free motion of a nonrelativistic superparticle on the super Riemann surface (SRS) of genus h≥2 is investigated. Geodesics or classical paths are given explicitly on the super Poincaré upper half-plane SH, a universal covering space of the SRS, and the paths with some suitable initial conditions yield periodic orbits on the SRS. The periodic orbits are unstable and the system is chaotic. Quantum mechanics is solved on the universal covering space SH and the heat kernel is given on the SRS. This leads to a superanalog of the Selberg trace formula. The Selberg super zeta function is introduced whose zero points and poles determine the energy spectrum on the SRS.

A Path Algorithm for Constrained Estimation

PubMed Central

Zhou, Hua; Lange, Kenneth

2013-01-01

Many least-square problems involve affine equality and inequality constraints. Although there are a variety of methods for solving such problems, most statisticians find constrained estimation challenging. The current article proposes a new path-following algorithm for quadratic programming that replaces hard constraints by what are called exact penalties. Similar penalties arise in l1 regularization in model selection. In the regularization setting, penalties encapsulate prior knowledge, and penalized parameter estimates represent a trade-off between the observed data and the prior knowledge. Classical penalty methods of optimization, such as the quadratic penalty method, solve a sequence of unconstrained problems that put greater and greater stress on meeting the constraints. In the limit as the penalty constant tends to ∞, one recovers the constrained solution. In the exact penalty method, squared penalties!are replaced by absolute value penalties, and the solution is recovered for a finite value of the penalty constant. The exact path-following method starts at the unconstrained solution and follows the solution path as the penalty constant increases. In the process, the solution path hits, slides along, and exits from the various constraints. Path following in Lasso penalized regression, in contrast, starts with a large value of the penalty constant and works its way downward. In both settings, inspection of the entire solution path is revealing. Just as with the Lasso and generalized Lasso, it is possible to plot the effective degrees of freedom along the solution path. For a strictly convex quadratic program, the exact penalty algorithm can be framed entirely in terms of the sweep operator of regression analysis. A few well-chosen examples illustrate the mechanics and potential of path following. This article has supplementary materials available online. PMID:24039382

Better approximation guarantees for job-shop scheduling

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

Goldberg, L.A.; Paterson, M.; Srinivasan, A.

1997-06-01

Job-shop scheduling is a classical NP-hard problem. Shmoys, Stein & Wein presented the first polynomial-time approximation algorithm for this problem that has a good (polylogarithmic) approximation guarantee. We improve the approximation guarantee of their work, and present further improvements for some important NP-hard special cases of this problem (e.g., in the preemptive case where machines can suspend work on operations and later resume). We also present NC algorithms with improved approximation guarantees for some NP-hard special cases.

Holography: science and art

NASA Astrophysics Data System (ADS)

Boone, Pierre M.

1998-09-01

Art and science are separated by a very large distance nowadays. Long ago, e.g. in Renaissance, or even earlier, in classic Greece and Rome, or still earlier in Egypt or Mesopotamia, arts and sciences were united. Today they seem to go separate paths: science for the industry, arts for the gallery. Holography is an exception: no art without science, but also no science without art.

Ranked solutions to a class of combinatorial optimizations—with applications in mass spectrometry based peptide sequencing and a variant of directed paths in random media

NASA Astrophysics Data System (ADS)

Doerr, Timothy P.; Alves, Gelio; Yu, Yi-Kuo

2005-08-01

Typical combinatorial optimizations are NP-hard; however, for a particular class of cost functions the corresponding combinatorial optimizations can be solved in polynomial time using the transfer matrix technique or, equivalently, the dynamic programming approach. This suggests a way to efficiently find approximate solutions-find a transformation that makes the cost function as similar as possible to that of the solvable class. After keeping many high-ranking solutions using the approximate cost function, one may then re-assess these solutions with the full cost function to find the best approximate solution. Under this approach, it is important to be able to assess the quality of the solutions obtained, e.g., by finding the true ranking of the kth best approximate solution when all possible solutions are considered exhaustively. To tackle this statistical issue, we provide a systematic method starting with a scaling function generated from the finite number of high-ranking solutions followed by a convergent iterative mapping. This method, useful in a variant of the directed paths in random media problem proposed here, can also provide a statistical significance assessment for one of the most important proteomic tasks-peptide sequencing using tandem mass spectrometry data. For directed paths in random media, the scaling function depends on the particular realization of randomness; in the mass spectrometry case, the scaling function is spectrum-specific.

Impact of Cumulus Cloud Spacing on Landsat Atmospheric Correction and Aerosol Retrieval

NASA Technical Reports Server (NTRS)

Wen, Guoyong; Cahalan, Robert F.; Tsay, Si-Chee; Oreopoulos, Lazaros

2001-01-01

A Landsat-7 ETM+ image acquired over the Southern Great Plains DoE/ARM site during the ARESE II experiment is used to study the effect of clouds on reflected radiation in clear patches of a cumulus cloud field. The result shows that the apparent path radiance in the clear patches is enhanced by nearby clouds in both band 1 (blue) and band 3 (red) of ETM+. More importantly, the magnitude of the enhancement depends on the mean cloud-free distance in the clear patches. For cloud-free distance less than 0.5 km, the enhancement of apparent path radiance is more than 0.025 and 0.015 (reflectance units) in band 1 and band 3 respectively, which corresponds to an enhancement of apparent aerosol optical thickness of approximately 0.25 and approximately 0.15. Neglecting of the 3-D cloud effect would lead to underestimates of surface reflectance of approximately 0.025 and approximately 0.015 in the blue and red band respectively, if the true aerosol optical thickness is 0.2 and the surface reflectance is 0.05. The enhancement decreases exponentially with mean cloud-free distance, reaching asymptotic values of 0.09 for band 1 and 0.027 for band 3 at a mean cloud-free distance about 2 km. The asymptotic values are slightly larger than the mean path radiances retrieved from a completely clear region -- 0.086 and 0.024 for the blue and red band respectively.

Path integral measure and triangulation independence in discrete gravity

NASA Astrophysics Data System (ADS)

Dittrich, Bianca; Steinhaus, Sebastian

2012-02-01

A path integral measure for gravity should also preserve the fundamental symmetry of general relativity, which is diffeomorphism symmetry. In previous work, we argued that a successful implementation of this symmetry into discrete quantum gravity models would imply discretization independence. We therefore consider the requirement of triangulation independence for the measure in (linearized) Regge calculus, which is a discrete model for quantum gravity, appearing in the semi-classical limit of spin foam models. To this end we develop a technique to evaluate the linearized Regge action associated to Pachner moves in 3D and 4D and show that it has a simple, factorized structure. We succeed in finding a local measure for 3D (linearized) Regge calculus that leads to triangulation independence. This measure factor coincides with the asymptotics of the Ponzano Regge Model, a 3D spin foam model for gravity. We furthermore discuss to which extent one can find a triangulation independent measure for 4D Regge calculus and how such a measure would be related to a quantum model for 4D flat space. To this end, we also determine the dependence of classical Regge calculus on the choice of triangulation in 3D and 4D.

Weak-noise limit of a piecewise-smooth stochastic differential equation.

PubMed

Chen, Yaming; Baule, Adrian; Touchette, Hugo; Just, Wolfram

2013-11-01

We investigate the validity and accuracy of weak-noise (saddle-point or instanton) approximations for piecewise-smooth stochastic differential equations (SDEs), taking as an illustrative example a piecewise-constant SDE, which serves as a simple model of Brownian motion with solid friction. For this model, we show that the weak-noise approximation of the path integral correctly reproduces the known propagator of the SDE at lowest order in the noise power, as well as the main features of the exact propagator with higher-order corrections, provided the singularity of the path integral associated with the nonsmooth SDE is treated with some heuristics. We also show that, as in the case of smooth SDEs, the deterministic paths of the noiseless system correctly describe the behavior of the nonsmooth SDE in the low-noise limit. Finally, we consider a smooth regularization of the piecewise-constant SDE and study to what extent this regularization can rectify some of the problems encountered when dealing with discontinuous drifts and singularities in SDEs.

Variational path integral molecular dynamics and hybrid Monte Carlo algorithms using a fourth order propagator with applications to molecular systems

NASA Astrophysics Data System (ADS)

Kamibayashi, Yuki; Miura, Shinichi

2016-08-01

In the present study, variational path integral molecular dynamics and associated hybrid Monte Carlo (HMC) methods have been developed on the basis of a fourth order approximation of a density operator. To reveal various parameter dependence of physical quantities, we analytically solve one dimensional harmonic oscillators by the variational path integral; as a byproduct, we obtain the analytical expression of the discretized density matrix using the fourth order approximation for the oscillators. Then, we apply our methods to realistic systems like a water molecule and a para-hydrogen cluster. In the HMC, we adopt two level description to avoid the time consuming Hessian evaluation. For the systems examined in this paper, the HMC method is found to be about three times more efficient than the molecular dynamics method if appropriate HMC parameters are adopted; the advantage of the HMC method is suggested to be more evident for systems described by many body interaction.

New LNG process scheme

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

Foglietta, J.H.

1999-07-01

A new LNG cycle has been developed for base load liquefaction facilities. This new design offers a different technical and economical solution comparing in efficiency with the classical technologies. The new LNG scheme could offer attractive business opportunities to oil and gas companies that are trying to find paths to monetize gas sources more effectively; particularly for remote or offshore locations where smaller scale LNG facilities might be applicable. This design offers also an alternative route to classic LNG projects, as well as alternative fuel sources. Conceived to offer simplicity and access to industry standard equipment, This design is amore » hybrid result of combining a standard refrigeration system and turboexpander technology.« less

Generalized Skyrme model with the loosely bound potential

NASA Astrophysics Data System (ADS)

Gudnason, Sven Bjarke; Zhang, Baiyang; Ma, Nana

2016-12-01

We study a generalization of the loosely bound Skyrme model which consists of the Skyrme model with a sixth-order derivative term—motivated by its fluidlike properties—and the second-order loosely bound potential—motivated by lowering the classical binding energies of higher-charged Skyrmions. We use the rational map approximation for the Skyrmion of topological charge B =4 , calculate the binding energy of the latter, and estimate the systematic error in using this approximation. In the parameter space that we can explore within the rational map approximation, we find classical binding energies as low as 1.8%, and once taking into account the contribution from spin-isospin quantization, we obtain binding energies as low as 5.3%. We also calculate the contribution from the sixth-order derivative term to the electric charge density and axial coupling.

On Profit-Maximizing Pricing for the Highway and Tollbooth Problems

NASA Astrophysics Data System (ADS)

Elbassioni, Khaled; Raman, Rajiv; Ray, Saurabh; Sitters, René

In the tollbooth problem on trees, we are given a tree T= (V,E) with n edges, and a set of m customers, each of whom is interested in purchasing a path on the graph. Each customer has a fixed budget, and the objective is to price the edges of T such that the total revenue made by selling the paths to the customers that can afford them is maximized. An important special case of this problem, known as the highway problem, is when T is restricted to be a line. For the tollbooth problem, we present an O(logn)-approximation, improving on the current best O(logm)-approximation. We also study a special case of the tollbooth problem, when all the paths that customers are interested in purchasing go towards a fixed root of T. In this case, we present an algorithm that returns a (1 - ɛ)-approximation, for any ɛ> 0, and runs in quasi-polynomial time. On the other hand, we rule out the existence of an FPTAS by showing that even for the line case, the problem is strongly NP-hard. Finally, we show that in the discount model, when we allow some items to be priced below zero to improve the overall profit, the problem becomes even APX-hard.

An alternative laser driven photodissociation mechanism of pyrrole via πσ*1∕S0 conical intersection.

PubMed

Nandipati, K R; Lan, Z; Singh, H; Mahapatra, S

2017-06-07

A first principles quantum dynamics study of N-H photodissociation of pyrrole on the S 0 - 1 πσ * (A21) coupled electronic states is carried out with the aid of an optimally designed UV-laser pulse. A new photodissociation path, as compared to the conventional barrier crossing on the πσ*1 state, opens up upon electronic transitions under the influence of pump-dump laser pulses, which efficiently populate both the dissociation channels. The interplay of electronic transitions due both to vibronic coupling and the laser pulse is observed in the control mechanism and discussed in detail. The proposed control mechanism seems to be robust, and not discussed in the literature so far, and is expected to trigger future experiments on the πσ*1 photochemistry of molecules of chemical and biological importance. The design of the optimal pulses and their application to enhance the overall dissociation probability is carried out within the framework of optimal control theory. The quantum dynamics of the system in the presence of pulse is treated by solving the time-dependent Schrödinger equation in the semi-classical dipole approximation.

An alternative laser driven photodissociation mechanism of pyrrole via πσ*1∕S0 conical intersection

PubMed Central

Nandipati, K. R.; Lan, Z.; Singh, H.; Mahapatra, S.

2017-01-01

A first principles quantum dynamics study of N–H photodissociation of pyrrole on the S0−1πσ*(A21) coupled electronic states is carried out with the aid of an optimally designed UV-laser pulse. A new photodissociation path, as compared to the conventional barrier crossing on the πσ*1 state, opens up upon electronic transitions under the influence of pump-dump laser pulses, which efficiently populate both the dissociation channels. The interplay of electronic transitions due both to vibronic coupling and the laser pulse is observed in the control mechanism and discussed in detail. The proposed control mechanism seems to be robust, and not discussed in the literature so far, and is expected to trigger future experiments on the πσ*1 photochemistry of molecules of chemical and biological importance. The design of the optimal pulses and their application to enhance the overall dissociation probability is carried out within the framework of optimal control theory. The quantum dynamics of the system in the presence of pulse is treated by solving the time-dependent Schrödinger equation in the semi-classical dipole approximation. PMID:28595406

Regularized matrix regression

PubMed Central

Zhou, Hua; Li, Lexin

2014-01-01

Summary Modern technologies are producing a wealth of data with complex structures. For instance, in two-dimensional digital imaging, flow cytometry and electroencephalography, matrix-type covariates frequently arise when measurements are obtained for each combination of two underlying variables. To address scientific questions arising from those data, new regression methods that take matrices as covariates are needed, and sparsity or other forms of regularization are crucial owing to the ultrahigh dimensionality and complex structure of the matrix data. The popular lasso and related regularization methods hinge on the sparsity of the true signal in terms of the number of its non-zero coefficients. However, for the matrix data, the true signal is often of, or can be well approximated by, a low rank structure. As such, the sparsity is frequently in the form of low rank of the matrix parameters, which may seriously violate the assumption of the classical lasso. We propose a class of regularized matrix regression methods based on spectral regularization. A highly efficient and scalable estimation algorithm is developed, and a degrees-of-freedom formula is derived to facilitate model selection along the regularization path. Superior performance of the method proposed is demonstrated on both synthetic and real examples. PMID:24648830

An alternative laser driven photodissociation mechanism of pyrrole via π*1σ/S0 conical intersection

NASA Astrophysics Data System (ADS)

Nandipati, K. R.; Lan, Z.; Singh, H.; Mahapatra, S.

2017-06-01

A first principles quantum dynamics study of N-H photodissociation of pyrrole on the S0-1π σ*(A12) coupled electronic states is carried out with the aid of an optimally designed UV-laser pulse. A new photodissociation path, as compared to the conventional barrier crossing on the π*1σ state, opens up upon electronic transitions under the influence of pump-dump laser pulses, which efficiently populate both the dissociation channels. The interplay of electronic transitions due both to vibronic coupling and the laser pulse is observed in the control mechanism and discussed in detail. The proposed control mechanism seems to be robust, and not discussed in the literature so far, and is expected to trigger future experiments on the π*1σ photochemistry of molecules of chemical and biological importance. The design of the optimal pulses and their application to enhance the overall dissociation probability is carried out within the framework of optimal control theory. The quantum dynamics of the system in the presence of pulse is treated by solving the time-dependent Schrödinger equation in the semi-classical dipole approximation.

Laser-Extinction and High-Resolution Atmospheric Transmission Measurements Conducted at White Sands Missile Range, New Mexico, March 1979.

DTIC Science & Technology

1980-11-19

used is first collimated by auxiliary optics to a diameter of approximately 18 mm. The beam is then focused via the off-axis parabolic mirror shown in...RECEIVER STATIONARY OF AISZERO ~ PAR ABOLA PATH OR PATH - CHOPPER I 90cm 120 cm COLLIMATOR / COLLECTOR XMTR DMOBILE RCvR CAIBAIO C0J POSITION - ETECTOR

Explanation of the unusual temperature dependence of the atmospherically important OH + H(2)S --> H(2)O + HS reaction and prediction of the rate constant at combustion temperatures.

PubMed

Ellingson, Benjamin A; Truhlar, Donald G

2007-10-24

Rate constants for the OH + H2S --> H2O + HS reaction, which is important for both atmospheric chemistry and combustion, are calculated by direct dynamics with the M06-2X density functional using the MG3S basis set. Energetics are compared to high-level MCG3/3//MC-QCISD/3 wave function theory and to results obtained by other density functionals. We employ canonical variational transition-state theory with multidimensional tunneling contributions and scaled generalized normal-mode frequencies evaluated in redundant curvilinear coordinates with anharmonicity included in the torsion. The transition state has a quantum mechanically distinguishable, nonsuperimposable mirror image that corresponds to a separate classical reaction path; the effect of the multiple paths is examined through use of a symmetry number and by torsional methods. Calculations with the reference-potential Pitzer-Gwinn treatment of the torsional mode agree with experiment, within experimental scatter, and predict a striking temperature dependence of the activation energy, increasing from -0.1 kcal/mol at 200 K to 0.2, 1.0, 3.4, and 9.8 kcal/mol at 300, 500, 1000, and 2400 K. The unusual temperature dependence arises from a dynamical bottleneck at an energy below reactants, following an addition complex on the reaction path with a classical binding energy of 4.4 kcal/mol. As a way to check the mechanism, kinetic isotope effects of the OH + D2S and OD + D2S reactions have been predicted.

Computational study of the melting-freezing transition in the quantum hard-sphere system for intermediate densities. II. Structural features.

PubMed

Sesé, Luis M; Bailey, Lorna E

2007-04-28

The structural features of the quantum hard-sphere system in the region of the fluid-face-centered-cubic-solid transition, for reduced number densities 0.45

The May 18, 1998 Indian Nuclear Test Seismograms at station NIL

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

Walter, W R; Rodgers, A J; Bowers, D

2005-04-11

The last underground nuclear tests were conducted by India and Pakistan in May 1998. Although the Comprehensive Test Ban Treaty has not entered force, an International Monitoring System (IMS), established by the treaty is nearing completion. This system includes 170 seismic stations, a number of them originally established by IRIS. The station IRIS station NIL (Nilore, Pakistan) is close to a planned IMS primary station and recorded some very interesting seismograms from the May 18, 1998 Indian test. We carefully calibrated the path to NIL using a prior Mw 4.4 that occurred on April 4, 1995 about 110 km northmore » of the Indian test site. We used joint epicentral location techniques along with teleseismic P waves and regional surface waves to fix the epicenter, depth, mechanism and moment of this event. From these we obtained a velocity model for the path to NIL and created explosion synthetic seismograms to compare with the data. Interestingly the observed Rayleigh waves are reversed, consistent with an implosion rather than an explosion source. The preferred explanation is that the explosion released tectonic stress near the source region, which can be modeled as a thrust earthquake of approximate Mw 4.0 plus a pure explosion. This tectonic release is sufficient to completely dominate the Rayleigh waves and produce the observed signal (Walter et al. 2005). We also examined the explosion at high frequencies of 6 6-8 Hz where many studies have shown that relative P/S amplitudes can discriminate explosions from a background of earthquakes (Rodgers and Walter, 2002). Comparing with the April 4 1995 earthquake we see the classic difference of relatively large P/S values for the explosion compared to the earthquakes despite the complication of the large tectonic release during the explosion.« less

Investigation of Propagation in Foliage Using Simulation Techniques

DTIC Science & Technology

2011-12-01

simulation models provide a rough approximation to radiowave propagation in an actual rainforest environment. Based on the simulated results, the...simulation models provide a rough approximation to radiowave propagation in an actual rainforest environment. Based on the simulated results, the path... Rainforest ...............................2 2. Electrical Properties of a Forest .........................................................3 B. OBJECTIVES OF

Aerosol optical properties inferred from in-situ and path-averaged measurements

NASA Astrophysics Data System (ADS)

van Binsbergen, Sven A.; Grossmann, Peter; Cohen, Leo H.; van Eijk, Alexander M. J.; Stein, Karin U.

2017-09-01

This paper compares in-situ and path-averaged measurements of the electro-optical transmission, with emphasis on aerosol effects. The in-situ sensors consisted of optical particle counters (OPC) and a visibility meter, the path-averaged data was provided by a 7-wavelength transmissometer (MSRT) and a scintillometer (BLS). Data was collected at a test site in Northern Germany. A retrieval algorithm was developed to infer characteristics of the aerosol size distribution (Junge approximation) from the MSRT data. A comparison of the various sensors suggests that the optical particle counters are over-optimistic in their estimate of the transmission.

Solution of the two-dimensional spectral factorization problem

NASA Technical Reports Server (NTRS)

Lawton, W. M.

1985-01-01

An approximation theorem is proven which solves a classic problem in two-dimensional (2-D) filter theory. The theorem shows that any continuous two-dimensional spectrum can be uniformly approximated by the squared modulus of a recursively stable finite trigonometric polynomial supported on a nonsymmetric half-plane.

Path Loss Prediction Over the Lunar Surface Utilizing a Modified Longley-Rice Irregular Terrain Model

NASA Technical Reports Server (NTRS)

Foore, Larry; Ida, Nathan

2007-01-01

This study introduces the use of a modified Longley-Rice irregular terrain model and digital elevation data representative of an analogue lunar site for the prediction of RF path loss over the lunar surface. The results are validated by theoretical models and past Apollo studies. The model is used to approximate the path loss deviation from theoretical attenuation over a reflecting sphere. Analysis of the simulation results provides statistics on the fade depths for frequencies of interest, and correspondingly a method for determining the maximum range of communications for various coverage confidence intervals. Communication system engineers and mission planners are provided a link margin and path loss policy for communication frequencies of interest.

Momentum Distribution as a Fingerprint of Quantum Delocalization in Enzymatic Reactions: Open-Chain Path-Integral Simulations of Model Systems and the Hydride Transfer in Dihydrofolate Reductase.

PubMed

Engel, Hamutal; Doron, Dvir; Kohen, Amnon; Major, Dan Thomas

2012-04-10

The inclusion of nuclear quantum effects such as zero-point energy and tunneling is of great importance in studying condensed phase chemical reactions involving the transfer of protons, hydrogen atoms, and hydride ions. In the current work, we derive an efficient quantum simulation approach for the computation of the momentum distribution in condensed phase chemical reactions. The method is based on a quantum-classical approach wherein quantum and classical simulations are performed separately. The classical simulations use standard sampling techniques, whereas the quantum simulations employ an open polymer chain path integral formulation which is computed using an efficient Monte Carlo staging algorithm. The approach is validated by applying it to a one-dimensional harmonic oscillator and symmetric double-well potential. Subsequently, the method is applied to the dihydrofolate reductase (DHFR) catalyzed reduction of 7,8-dihydrofolate by nicotinamide adenine dinucleotide phosphate hydride (NADPH) to yield S-5,6,7,8-tetrahydrofolate and NADP(+). The key chemical step in the catalytic cycle of DHFR involves a stereospecific hydride transfer. In order to estimate the amount of quantum delocalization, we compute the position and momentum distributions for the transferring hydride ion in the reactant state (RS) and transition state (TS) using a recently developed hybrid semiempirical quantum mechanics-molecular mechanics potential energy surface. Additionally, we examine the effect of compression of the donor-acceptor distance (DAD) in the TS on the momentum distribution. The present results suggest differential quantum delocalization in the RS and TS, as well as reduced tunneling upon DAD compression.

Numerical Determination of Critical Conditions for Thermal Ignition

NASA Technical Reports Server (NTRS)

Luo, W.; Wake, G. C.; Hawk, C. W.; Litchford, R. J.

2008-01-01

The determination of ignition or thermal explosion in an oxidizing porous body of material, as described by a dimensionless reaction-diffusion equation of the form .tu = .2u + .e-1/u over the bounded region O, is critically reexamined from a modern perspective using numerical methodologies. First, the classic stationary model is revisited to establish the proper reference frame for the steady-state solution space, and it is demonstrated how the resulting nonlinear two-point boundary value problem can be reexpressed as an initial value problem for a system of first-order differential equations, which may be readily solved using standard algorithms. Then, the numerical procedure is implemented and thoroughly validated against previous computational results based on sophisticated path-following techniques. Next, the transient nonstationary model is attacked, and the full nonlinear form of the reaction-diffusion equation, including a generalized convective boundary condition, is discretized and expressed as a system of linear algebraic equations. The numerical methodology is implemented as a computer algorithm, and validation computations are carried out as a prelude to a broad-ranging evaluation of the assembly problem and identification of the watershed critical initial temperature conditions for thermal ignition. This numerical methodology is then used as the basis for studying the relationship between the shape of the critical initial temperature distribution and the corresponding spatial moments of its energy content integral and an attempt to forge a fundamental conjecture governing this relation. Finally, the effects of dynamic boundary conditions on the classic storage problem are investigated and the groundwork is laid for the development of an approximate solution methodology based on adaptation of the standard stationary model.

Theoretical investigation on the mechanism and dynamics of oxo exchange of neptunyl(VI) hydroxide in aqueous solution.

PubMed

Yang, Xia; Chai, Zhifang; Wang, Dongqi

2015-03-21

Four types of reaction mechanisms for the oxo ligand exchange of monomeric and dimeric neptunyl(VI) hydroxide in aqueous solution were explored computationally using density functional theory (DFT) and ab initio classical molecular dynamics. The obtained results were compared with previous studies on the oxo exchange of uranyl hydroxide, as well as with experiments. It is found that the stable T-shaped [NpO3(OH)3](3-) intermediate is a key species for oxo exchange in the proton transfer in mononuclear Path I and binuclear Path IV, similar to the case of uranyl(VI) hydroxide. Path I is thought to be the preferred oxo exchange mechanism for neptunyl(VI) hydroxide in our calculations, due to the lower activation energy (22.7 and 13.1 kcal mol(-1) for ΔG(‡) and ΔH(‡), respectively) of the overall reaction. Path II via a cis-neptunyl structure assisted by a water molecule might be a competitive channel against Path I with a mononuclear mechanism, owing to a rapid dynamical process occurring in Path II. In Path IV with the binuclear mechanism, oxo exchange is accomplished via the interaction between [NpO2(OH)4](2-) and T-shaped [NpO3(OH)3](3-) with a low activation energy for the rate-determining step, however, the overall energy required to fulfill the reaction is slightly higher than that in mononuclear Path I, suggesting a possible binuclear process in the higher energy region. The chemical bonding evolution along the reaction pathways was discussed by using topological methodologies of the electron localization function (ELF).

Band-Limited Masks and Direct Imaging of Exoplanets

NASA Technical Reports Server (NTRS)

Kuchner, Marc J.

2009-01-01

Band-limited masks have become the baseline design for what is now called "classical TPF" and also the N|RCamcomnagraphonJW8 .This technology remains one of the most promising paths for direct detection ofmxop|anedm and disks. I'll describe some of the latest progress in the implementation of this technique and what we have learned about where it can and can not be effectively applied.

Fahrenheit to Celsius: An Exploration in College Algebra.

ERIC Educational Resources Information Center

Fay, Temple H.; Hardie, Keith A.

2003-01-01

Suggests that the classical exact formula for the conversion of degrees Celsius and degrees Fahrenheit is not user-friendly. Offers an approximate linear transformation that is easier to remember and use. Investigates both the exact conversion and the approximate conversion and provides interesting and relevant problems for small group…

A Limited Study of a Hypothetical Winged Anti-ICBM Point-Defense Missile

NASA Technical Reports Server (NTRS)

Brown, Clarence A., Jr.; Edwards, Frederick G.

1959-01-01

A preliminary investigation was conducted to determine whether a warhead stage of an antimissile missile could be placed within an arbitrary 2-nautical-mile-radius maneuver cylinder around an intercontinental-ballistic-missile (ICBM) flight path above an altitude of 140,000 feet, a horizontal range of 40 nautical miles, at a flight-path angle of approximately 20 deg, and within 50 seconds after take-off using only aerodynamic forces to turn the antimissile missile. The preliminary investigation indicated that an antimissile missile using aerodynamic forces for turning was capable of intercepting the ICBM for the stated conditions of this study although the turning must be completed below an altitude of approximately 70,000 feet to insure that the antimissile missile will be at the desired flight-path angle. Trim lift coefficients on the order of 2 to 3 and a maximum normal-acceleration force of from 25g to 35g were necessary to place the warhead stage in intercept position. The preliminary investigation indicated that for the two boosters investigated the booster having a burning time of 10 seconds gave greater range up the ICBM flight path than did the booster having a burning time of 15 seconds for the same trim lift coefficient and required the least trim lift coefficient for the same range.

Olfaction Contributes to Pelagic Navigation in a Coastal Shark.

PubMed

Nosal, Andrew P; Chao, Yi; Farrara, John D; Chai, Fei; Hastings, Philip A

2016-01-01

How animals navigate the constantly moving and visually uniform pelagic realm, often along straight paths between distant sites, is an enduring mystery. The mechanisms enabling pelagic navigation in cartilaginous fishes are particularly understudied. We used shoreward navigation by leopard sharks (Triakis semifasciata) as a model system to test whether olfaction contributes to pelagic navigation. Leopard sharks were captured alongshore, transported 9 km offshore, released, and acoustically tracked for approximately 4 h each until the transmitter released. Eleven sharks were rendered anosmic (nares occluded with cotton wool soaked in petroleum jelly); fifteen were sham controls. Mean swimming depth was 28.7 m. On average, tracks of control sharks ended 62.6% closer to shore, following relatively straight paths that were significantly directed over spatial scales exceeding 1600 m. In contrast, tracks of anosmic sharks ended 37.2% closer to shore, following significantly more tortuous paths that approximated correlated random walks. These results held after swimming paths were adjusted for current drift. This is the first study to demonstrate experimentally that olfaction contributes to pelagic navigation in sharks, likely mediated by chemical gradients as has been hypothesized for birds. Given the similarities between the fluid three-dimensional chemical atmosphere and ocean, further research comparing swimming and flying animals may lead to a unifying paradigm explaining their extraordinary navigational abilities.

Comparison of cross sections from the quasi-classical trajectory method and the j(z)-conserving centrifugal sudden approximation with accurate quantum results for an atom-rigid nonlinear polyatomic collision

NASA Technical Reports Server (NTRS)

Schwenke, David W.

1993-01-01

We report the results of a series of calculations of state-to-state integral cross sections for collisions between O and nonvibrating H2O in the gas phase on a model nonreactive potential energy surface. The dynamical methods used include converged quantum mechanical scattering calculations, the j(z) conserving centrifugal sudden (j(z)-CCS) approximation, and quasi-classical trajectory (QCT) calculations. We consider three total energies 0.001, 0.002, and 0.005 E(h) and the nine initial states with rotational angular momentum less than or equal to 2 (h/2 pi). The j(z)-CCS approximation gives good results, while the QCT method can be quite unreliable for transitions to specific rotational sublevels. However, the QCT cross sections summed over final sublevels and averaged over initial sublevels are in better agreement with the quantum results.

Semiclassical evaluation of quantum fidelity

NASA Astrophysics Data System (ADS)

Vaníček, Jiří; Heller, Eric J.

2003-11-01

We present a numerically feasible semiclassical (SC) method to evaluate quantum fidelity decay (Loschmidt echo) in a classically chaotic system. It was thought that such evaluation would be intractable, but instead we show that a uniform SC expression not only is tractable but it also gives remarkably accurate numerical results for the standard map in both the Fermi-golden-rule and Lyapunov regimes. Because it allows Monte Carlo evaluation, the uniform expression is accurate at times when there are 1070 semiclassical contributions. Remarkably, it also explicitly contains the “building blocks” of analytical theories of recent literature, and thus permits a direct test of the approximations made by other authors in these regimes, rather than an a posteriori comparison with numerical results. We explain in more detail the extended validity of the classical perturbation approximation and show that within this approximation, the so-called “diagonal approximation” is automatic and does not require ensemble averaging.

Direct synthesis of BiCuChO-type oxychalcogenides by mechanical alloying

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

Pele, Vincent; Barreteau, Celine; CNRS, Orsay F-91405

2013-07-15

We report on the direct synthesis of BiCuChO based materials by mechanical alloying (Ch=Se, Te). We show that contrary to the synthesis paths used in the previous reports dealing with this family of materials, which use costly annealings in closed silica tubes under controlled atmosphere, this new synthesis route enables the synthesis of pure phase materials at room temperature under air, with reasonable milling time. This synthesis procedure is easily scalable for large scale applications. - Highlights: • Phase pure BiCuSeO doped and undoped prepared by mechanical alloying. • Synthesis performed under air at room temperature. • Electrical properties similarmore » to that of samples synthesized by a classical path.« less

Option volatility and the acceleration Lagrangian

NASA Astrophysics Data System (ADS)

Baaquie, Belal E.; Cao, Yang

2014-01-01

This paper develops a volatility formula for option on an asset from an acceleration Lagrangian model and the formula is calibrated with market data. The Black-Scholes model is a simpler case that has a velocity dependent Lagrangian. The acceleration Lagrangian is defined, and the classical solution of the system in Euclidean time is solved by choosing proper boundary conditions. The conditional probability distribution of final position given the initial position is obtained from the transition amplitude. The volatility is the standard deviation of the conditional probability distribution. Using the conditional probability and the path integral method, the martingale condition is applied, and one of the parameters in the Lagrangian is fixed. The call option price is obtained using the conditional probability and the path integral method.

Developmental dysplasia of the hip: A computational biomechanical model of the path of least energy for closed reduction.

PubMed

Zwawi, Mohammed A; Moslehy, Faissal A; Rose, Christopher; Huayamave, Victor; Kassab, Alain J; Divo, Eduardo; Jones, Brendan J; Price, Charles T

2017-08-01

This study utilized a computational biomechanical model and applied the least energy path principle to investigate two pathways for closed reduction of high grade infantile hip dislocation. The principle of least energy when applied to moving the femoral head from an initial to a final position considers all possible paths that connect them and identifies the path of least resistance. Clinical reports of severe hip dysplasia have concluded that reduction of the femoral head into the acetabulum may occur by a direct pathway over the posterior rim of the acetabulum when using the Pavlik harness, or by an indirect pathway with reduction through the acetabular notch when using the modified Hoffman-Daimler method. This computational study also compared the energy requirements for both pathways. The anatomical and muscular aspects of the model were derived using a combination of MRI and OpenSim data. Results of this study indicate that the path of least energy closely approximates the indirect pathway of the modified Hoffman-Daimler method. The direct pathway over the posterior rim of the acetabulum required more energy for reduction. This biomechanical analysis confirms the clinical observations of the two pathways for closed reduction of severe hip dysplasia. The path of least energy closely approximated the modified Hoffman-Daimler method. Further study of the modified Hoffman-Daimler method for reduction of severe hip dysplasia may be warranted based on this computational biomechanical analysis. © 2016 The Authors. Journal of Orthopaedic Research Published by Wiley Periodicals, Inc. on behalf of Orthopaedic Research Society. J Orthop Res 35:1799-1805, 2017. © 2016 The Authors. Journal of Orthopaedic Research Published by Wiley Periodicals, Inc. on behalf of Orthopaedic Research Society.

Optimizing Retransmission Threshold in Wireless Sensor Networks

PubMed Central

Bi, Ran; Li, Yingshu; Tan, Guozhen; Sun, Liang

2016-01-01

The retransmission threshold in wireless sensor networks is critical to the latency of data delivery in the networks. However, existing works on data transmission in sensor networks did not consider the optimization of the retransmission threshold, and they simply set the same retransmission threshold for all sensor nodes in advance. The method did not take link quality and delay requirement into account, which decreases the probability of a packet passing its delivery path within a given deadline. This paper investigates the problem of finding optimal retransmission thresholds for relay nodes along a delivery path in a sensor network. The object of optimizing retransmission thresholds is to maximize the summation of the probability of the packet being successfully delivered to the next relay node or destination node in time. A dynamic programming-based distributed algorithm for finding optimal retransmission thresholds for relay nodes along a delivery path in the sensor network is proposed. The time complexity is OnΔ·max1≤i≤n{ui}, where ui is the given upper bound of the retransmission threshold of sensor node i in a given delivery path, n is the length of the delivery path and Δ is the given upper bound of the transmission delay of the delivery path. If Δ is greater than the polynomial, to reduce the time complexity, a linear programming-based (1+pmin)-approximation algorithm is proposed. Furthermore, when the ranges of the upper and lower bounds of retransmission thresholds are big enough, a Lagrange multiplier-based distributed O(1)-approximation algorithm with time complexity O(1) is proposed. Experimental results show that the proposed algorithms have better performance. PMID:27171092

New Tests of the Fixed Hotspot Approximation

NASA Astrophysics Data System (ADS)

Gordon, R. G.; Andrews, D. L.; Horner-Johnson, B. C.; Kumar, R. R.

2005-05-01

We present new methods for estimating uncertainties in plate reconstructions relative to the hotspots and new tests of the fixed hotspot approximation. We find no significant motion between Pacific hotspots, on the one hand, and Indo-Atlantic hotspots, on the other, for the past ~ 50 Myr, but large and significant apparent motion before 50 Ma. Whether this motion is truly due to motion between hotspots or alternatively due to flaws in the global plate motion circuit can be tested with paleomagnetic data. These tests give results consistent with the fixed hotspot approximation and indicate significant misfits when a relative plate motion circuit through Antarctica is employed for times before 50 Ma. If all of the misfit to the global plate motion circuit is due to motion between East and West Antarctica, then that motion is 800 ± 500 km near the Ross Sea Embayment and progressively less along the Trans-Antarctic Mountains toward the Weddell Sea. Further paleomagnetic tests of the fixed hotspot approximation can be made. Cenozoic and Cretaceous paleomagnetic data from the Pacific plate, along with reconstructions of the Pacific plate relative to the hotspots, can be used to estimate an apparent polar wander (APW) path of Pacific hotspots. An APW path of Indo-Atlantic hotspots can be similarly estimated (e.g. Besse & Courtillot 2002). If both paths diverge in similar ways from the north pole of the hotspot reference frame, it would indicate that the hotspots have moved in unison relative to the spin axis, which may be attributed to true polar wander. If the two paths diverge from one another, motion between Pacific hotspots and Indo-Atlantic hotspots would be indicated. The general agreement of the two paths shows that the former is more important than the latter. The data require little or no motion between groups of hotspots, but up to ~10 mm/yr of motion is allowed within uncertainties. The results disagree, in particular, with the recent extreme interpretation of Tarduno et al. [2003], who assume (1) that motion of the Indo-Atlantic hotspots relative to the spin axis can be ignored during the past 85 Myr, and (2) that the Hawaiian hotspot has been fixed relative to the spin axis since the age of the Hawaiian-Emperor bend. Our results indicate that both assumptions are false.

Assessment of Masonry Buildings Subjected to Landslide-Induced Settlements: From Load Path Method to Evolutionary Optimization Method

NASA Astrophysics Data System (ADS)

Palmisano, Fabrizio; Elia, Angelo

2017-10-01

One of the main difficulties, when dealing with landslide structural vulnerability, is the diagnosis of the causes of crack patterns. This is also due to the excessive complexity of models based on classical structural mechanics that makes them inappropriate especially when there is the necessity to perform a rapid vulnerability assessment at the territorial scale. This is why, a new approach, based on a ‘simple model’ (i.e. the Load Path Method, LPM), has been proposed by Palmisano and Elia for the interpretation of the behaviour of masonry buildings subjected to landslide-induced settlements. However, the LPM is very useful for rapidly finding the 'most plausible solution' instead of the exact solution. To find the solution, optimization algorithms are necessary. In this scenario, this article aims to show how the Bidirectional Evolutionary Structural Optimization method by Huang and Xie, can be very useful to optimize the strut-and-tie models obtained by using the Load Path Method.

Combined Monte Carlo and path-integral method for simulated library of time-resolved reflectance curves from layered tissue models

NASA Astrophysics Data System (ADS)

Wilson, Robert H.; Vishwanath, Karthik; Mycek, Mary-Ann

2009-02-01

Monte Carlo (MC) simulations are considered the "gold standard" for mathematical description of photon transport in tissue, but they can require large computation times. Therefore, it is important to develop simple and efficient methods for accelerating MC simulations, especially when a large "library" of related simulations is needed. A semi-analytical method involving MC simulations and a path-integral (PI) based scaling technique generated time-resolved reflectance curves from layered tissue models. First, a zero-absorption MC simulation was run for a tissue model with fixed scattering properties in each layer. Then, a closed-form expression for the average classical path of a photon in tissue was used to determine the percentage of time that the photon spent in each layer, to create a weighted Beer-Lambert factor to scale the time-resolved reflectance of the simulated zero-absorption tissue model. This method is a unique alternative to other scaling techniques in that it does not require the path length or number of collisions of each photon to be stored during the initial simulation. Effects of various layer thicknesses and absorption and scattering coefficients on the accuracy of the method will be discussed.

Solution Path for Pin-SVM Classifiers With Positive and Negative $\\tau $ Values.

PubMed

Huang, Xiaolin; Shi, Lei; Suykens, Johan A K

2017-07-01

Applying the pinball loss in a support vector machine (SVM) classifier results in pin-SVM. The pinball loss is characterized by a parameter τ . Its value is related to the quantile level and different τ values are suitable for different problems. In this paper, we establish an algorithm to find the entire solution path for pin-SVM with different τ values. This algorithm is based on the fact that the optimal solution to pin-SVM is continuous and piecewise linear with respect to τ . We also show that the nonnegativity constraint on τ is not necessary, i.e., τ can be extended to negative values. First, in some applications, a negative τ leads to better accuracy. Second, τ = -1 corresponds to a simple solution that links SVM and the classical kernel rule. The solution for τ = -1 can be obtained directly and then be used as a starting point of the solution path. The proposed method efficiently traverses τ values through the solution path, and then achieves good performance by a suitable τ . In particular, τ = 0 corresponds to C-SVM, meaning that the traversal algorithm can output a result at least as good as C-SVM with respect to validation error.

Black holes and beyond

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

Mathur, Samir D., E-mail: mathur.16@osu.edu

The black hole information paradox forces us into a strange situation: we must find a way to break the semiclassical approximation in a domain where no quantum gravity effects would normally be expected. Traditional quantizations of gravity do not exhibit any such breakdown, and this forces us into a difficult corner: either we must give up quantum mechanics or we must accept the existence of troublesome 'remnants'. In string theory, however, the fundamental quanta are extended objects, and it turns out that the bound states of such objects acquire a size that grows with the number of quanta in themore » bound state. The interior of the black hole gets completely altered to a 'fuzzball' structure, and information is able to escape in radiation from the hole. The semiclassical approximation can break at macroscopic scales due to the large entropy of the hole: the measure in the path integral competes with the classical action, instead of giving a subleading correction. Putting this picture of black hole microstates together with ideas about entangled states leads to a natural set of conjectures on many long-standing questions in gravity: the significance of Rindler and de Sitter entropies, the notion of black hole complementarity, and the fate of an observer falling into a black hole. - Highlights: Black-Right-Pointing-Pointer The information paradox is a serious problem. Black-Right-Pointing-Pointer To solve it we need to find 'hair' on black holes. Black-Right-Pointing-Pointer In string theory we find 'hair' by the fuzzball construction. Black-Right-Pointing-Pointer Fuzzballs help to resolve many other issues in gravity.« less

A quantum relaxation-time approximation for finite fermion systems

NASA Astrophysics Data System (ADS)

Reinhard, P.-G.; Suraud, E.

2015-03-01

We propose a relaxation time approximation for the description of the dynamics of strongly excited fermion systems. Our approach is based on time-dependent density functional theory at the level of the local density approximation. This mean-field picture is augmented by collisional correlations handled in relaxation time approximation which is inspired from the corresponding semi-classical picture. The method involves the estimate of microscopic relaxation rates/times which is presently taken from the well established semi-classical experience. The relaxation time approximation implies evaluation of the instantaneous equilibrium state towards which the dynamical state is progressively driven at the pace of the microscopic relaxation time. As test case, we consider Na clusters of various sizes excited either by a swift ion projectile or by a short and intense laser pulse, driven in various dynamical regimes ranging from linear to strongly non-linear reactions. We observe a strong effect of dissipation on sensitive observables such as net ionization and angular distributions of emitted electrons. The effect is especially large for moderate excitations where typical relaxation/dissipation time scales efficiently compete with ionization for dissipating the available excitation energy. Technical details on the actual procedure to implement a working recipe of such a quantum relaxation approximation are given in appendices for completeness.

Alternations in burial and exhumation along the Selimiye (Kayabükü) shear zone in the Menderes Massif from detailed garnet pressure-temperature paths

NASA Astrophysics Data System (ADS)

Kelly, E. D.; Atakturk, K. R.; Catlos, E. J.; Lizzadro-McPherson, D. J.; Cemen, I.; Lovera, O. M.

2015-12-01

Pressure-temperature (P-T) paths derived from garnet chemical zoning and supported by thermal modeling record alternating burial and exhumation during Main Menderes Metamorphism in western Turkey. We studied six rocks along the Selimiye (Kayabükü) shear zone, three from the footwall (Çine nappe) and three from the hanging wall (Selimiye nappe). The shear zone bounds the southern Menderes Massif metamorphic core complex and has been suggested to record compression followed by extension. The rocks are lower-amphibolite facies garnet-bearing metapelites with nearly identical mineral suites. Retrograde overprinting hinders classical thermobarometry; to overcome this, preserved chemical zoning in garnet combined with a G-minimization approach was used to construct detailed P-T paths (e.g., 50 points in some paths). During continuous temperature increase, the Çine nappe paths show increasing, decreasing, and then increasing pressure (an N-shaped path) ending at 7-8 kbar and ~565-590 °C. The Selimiye nappe paths show a single increase in P-T ending at ~7.3 kbar and ~580 °C. Similar bulk-rock compositions in all samples and the separation by the shear zone suggest that garnets grew during distinct events in each nappe. The timing of garnet growth, and thus the P-T paths, is currently undetermined, as monazite inclusions in garnet appear secondary and complicated by excess common Pb. The Çine nappe N-shaped path describes alternations in burial and exhumation, possibly due to thrust motion along the shear zone. To demonstrate the physical plausibility of the P-T paths, a 2-D finite difference solution to the diffusion-advection equation was applied. The results of the thermal modeling suggest that thrusting, denudation, and renewed thrusting would produce similar changes in P-T to the N-shaped path. Thus, the Çine nappe N-shaped P-T path appears to record a gap in thrust motion along the Selimiye (Kayabükü) shear zone prior to ultimate unroofing of the massif.

Quantization of Non-Lagrangian Systems

NASA Astrophysics Data System (ADS)

Kochan, Denis

A novel method for quantization of non-Lagrangian (open) systems is proposed. It is argued that the essential object, which provides both classical and quantum evolution, is a certain canonical two-form defined in extended velocity space. In this setting classical dynamics is recovered from the stringy-type variational principle, which employs umbilical surfaces instead of histories of the system. Quantization is then accomplished in accordance with the introduced variational principle. The path integral for the transition probability amplitude (propagator) is rearranged to a surface functional integral. In the standard case of closed (Lagrangian) systems the presented method reduces to the standard Feynman's approach. The inverse problem of the calculus of variation, the problem of quantization ambiguity and the quantum mechanics in the presence of friction are analyzed in detail.

Classical Hall Effect without Magnetic Field

NASA Astrophysics Data System (ADS)

Schade, Nicholas; Tao, Chiao-Yu; Schuster, David; Nagel, Sidney

We show that the sign and density of charge carriers in a material can be obtained without the presence of a magnetic field. This effect, analogous to the classical Hall effect, is due solely to the geometry of the current-carrying wire. When current flows, surface charges along the wire create small electric fields that direct the current to follow the path of the conductor. In a curved wire, the charge carriers must experience a centripetal force, which arises from an electric field perpendicular to the drift velocity. This electric field produces a potential difference between the sides of the wire that depends on the sign and density of the charge carriers. We experimentally investigate circuits made from superconductors or graphene to find evidence for this effect.

Surface-hopping dynamics and decoherence with quantum equilibrium structure.

PubMed

Grunwald, Robbie; Kim, Hyojoon; Kapral, Raymond

2008-04-28

In open quantum systems, decoherence occurs through interaction of a quantum subsystem with its environment. The computation of expectation values requires a knowledge of the quantum dynamics of operators and sampling from initial states of the density matrix describing the subsystem and bath. We consider situations where the quantum evolution can be approximated by quantum-classical Liouville dynamics and examine the circumstances under which the evolution can be reduced to surface-hopping dynamics, where the evolution consists of trajectory segments exclusively evolving on single adiabatic surfaces, with probabilistic hops between these surfaces. The justification for the reduction depends on the validity of a Markovian approximation on a bath averaged memory kernel that accounts for quantum coherence in the system. We show that such a reduction is often possible when initial sampling is from either the quantum or classical bath initial distributions. If the average is taken only over the quantum dispersion that broadens the classical distribution, then such a reduction is not always possible.

Mapping quantum-classical Liouville equation: projectors and trajectories.

PubMed

Kelly, Aaron; van Zon, Ramses; Schofield, Jeremy; Kapral, Raymond

2012-02-28

The evolution of a mixed quantum-classical system is expressed in the mapping formalism where discrete quantum states are mapped onto oscillator states, resulting in a phase space description of the quantum degrees of freedom. By defining projection operators onto the mapping states corresponding to the physical quantum states, it is shown that the mapping quantum-classical Liouville operator commutes with the projection operator so that the dynamics is confined to the physical space. It is also shown that a trajectory-based solution of this equation can be constructed that requires the simulation of an ensemble of entangled trajectories. An approximation to this evolution equation which retains only the Poisson bracket contribution to the evolution operator does admit a solution in an ensemble of independent trajectories but it is shown that this operator does not commute with the projection operators and the dynamics may take the system outside the physical space. The dynamical instabilities, utility, and domain of validity of this approximate dynamics are discussed. The effects are illustrated by simulations on several quantum systems.

A Semiclassical Derivation of the QCD Coupling

NASA Technical Reports Server (NTRS)

Batchelor, David

2009-01-01

The measured value of the QCD coupling alpha(sub s) at the energy M(sub Zo), the variation of alpha(sub s) as a function of energy in QCD, and classical relativistic dynamics are used to investigate virtual pairs of quarks and antiquarks in vacuum fluctuations. For virtual pairs of bottom quarks and antiquarks, the pair lifetime in the classical model agrees with the lifetime from quantum mechanics to good approximation, and the action integral in the classical model agrees as well with the action that follows from the Uncertainty Principle. This suggests that the particles might have small de Broglie wavelengths and behave with well-localized pointlike dynamics. It also permits alpha(sub s) at the mass energy twice the bottom quark mass to be expressed as a simple fraction: 3/16. This is accurate to approximately 10%. The model in this paper predicts the measured value of alpha(sub s)(M(sub Zo)) to be 0.121, which is in agreement with recent measurements within statistical uncertainties.

Structural factoring approach for analyzing stochastic networks

NASA Technical Reports Server (NTRS)

Hayhurst, Kelly J.; Shier, Douglas R.

1991-01-01

The problem of finding the distribution of the shortest path length through a stochastic network is investigated. A general algorithm for determining the exact distribution of the shortest path length is developed based on the concept of conditional factoring, in which a directed, stochastic network is decomposed into an equivalent set of smaller, generally less complex subnetworks. Several network constructs are identified and exploited to reduce significantly the computational effort required to solve a network problem relative to complete enumeration. This algorithm can be applied to two important classes of stochastic path problems: determining the critical path distribution for acyclic networks and the exact two-terminal reliability for probabilistic networks. Computational experience with the algorithm was encouraging and allowed the exact solution of networks that have been previously analyzed only by approximation techniques.

Spatio-temporal dynamics of brain mechanisms in aversive classical conditioning: high-density event-related potential and brain electrical tomography analyses.

PubMed

Pizzagalli, Diego A; Greischar, Lawrence L; Davidson, Richard J

2003-01-01

Social cognition, including complex social judgments and attitudes, is shaped by individual learning experiences, where affect often plays a critical role. Aversive classical conditioning-a form of associative learning involving a relationship between a neutral event (conditioned stimulus, CS) and an aversive event (unconditioned stimulus, US)-represents a well-controlled paradigm to study how the acquisition of socially relevant knowledge influences behavior and the brain. Unraveling the temporal unfolding of brain mechanisms involved appears critical for an initial understanding about how social cognition operates. Here, 128-channel ERPs were recorded in 50 subjects during the acquisition phase of a differential aversive classical conditioning paradigm. The CS+ (two fearful faces) were paired 50% of the time with an aversive noise (CS upward arrow + /Paired), whereas in the remaining 50% they were not (CS upward arrow + /Unpaired); the CS- (two different fearful faces) were never paired with the noise. Scalp ERP analyses revealed differences between CS upward arrow + /Unpaired and CS- as early as approximately 120 ms post-stimulus. Tomographic source localization analyses revealed early activation modulated by the CS+ in the ventral visual pathway (e.g. fusiform gyrus, approximately 120 ms), right middle frontal gyrus (approximately 176 ms), and precuneus (approximately 240 ms). At approximately 120 ms, the CS- elicited increased activation in the left insula and left middle frontal gyrus. These findings not only confirm a critical role of prefrontal, insular, and precuneus regions in aversive conditioning, but they also suggest that biologically and socially salient information modulates activation at early stages of the information processing flow, and thus furnish initial insight about how affect and social judgments operate.

Real time correlation function in a single phase space integral beyond the linearized semiclassical initial value representation.

PubMed

Liu, Jian; Miller, William H

2007-06-21

It is shown how quantum mechanical time correlation functions [defined, e.g., in Eq. (1.1)] can be expressed, without approximation, in the same form as the linearized approximation of the semiclassical initial value representation (LSC-IVR), or classical Wigner model, for the correlation function [cf. Eq. (2.1)], i.e., as a phase space average (over initial conditions for trajectories) of the Wigner functions corresponding to the two operators. The difference is that the trajectories involved in the LSC-IVR evolve classically, i.e., according to the classical equations of motion, while in the exact theory they evolve according to generalized equations of motion that are derived here. Approximations to the exact equations of motion are then introduced to achieve practical methods that are applicable to complex (i.e., large) molecular systems. Four such methods are proposed in the paper--the full Wigner dynamics (full WD) and the second order WD based on "Wigner trajectories" [H. W. Lee and M. D. Scully, J. Chem. Phys. 77, 4604 (1982)] and the full Donoso-Martens dynamics (full DMD) and the second order DMD based on "Donoso-Martens trajectories" [A. Donoso and C. C. Martens, Phys. Rev. Lett. 8722, 223202 (2001)]--all of which can be viewed as generalizations of the original LSC-IVR method. Numerical tests of the four versions of this new approach are made for two anharmonic model problems, and for each the momentum autocorrelation function (i.e., operators linear in coordinate or momentum operators) and the force autocorrelation function (nonlinear operators) have been calculated. These four new approximate treatments are indeed seen to be significant improvements to the original LSC-IVR approximation.

Optimum gradient of mountain paths.

PubMed

Minetti, A E

1995-11-01

By combining the experiment results of R. Margaria (Atti Accad. Naz. Lincei Memorie 7: 299-368, 1938), regarding the metabolic cost of gradient locomotion, together with recent insights on gait biomechanics, a prediction about the most economical gradient of mountain paths (approximately 25%) is obtained and interpreted. The pendulum-like mechanism of walking produces a waste of mechanical work against gravity within the gradient range of up to 15% (the overall efficiency is dominated by the low transmission efficiency), whereas for steeper values only the muscular efficiency is responsible for the (slight) metabolic change (per meter of vertical displacement) with respect to gradient. The speeds at the optimum gradient turned out to be approximately 0.65 m/s (+0.16 m/s vertical) and 1.50 m/s (-0.36 m/s vertical), for uphill and downhill walking, respectively, and the ascensional energy expenditure was 0.4 and 2.0 ml O2.kg body mass-1.vertical m-1 climbed or descended. When the metabolic power becomes a burden, as in high-altitude mountaineering, the optimum gradient should be reduced. A sample of real mountain path gradients, experimentally measured, mimics the obtained predictions.

A Linear Kernel for Co-Path/Cycle Packing

NASA Astrophysics Data System (ADS)

Chen, Zhi-Zhong; Fellows, Michael; Fu, Bin; Jiang, Haitao; Liu, Yang; Wang, Lusheng; Zhu, Binhai

Bounded-Degree Vertex Deletion is a fundamental problem in graph theory that has new applications in computational biology. In this paper, we address a special case of Bounded-Degree Vertex Deletion, the Co-Path/Cycle Packing problem, which asks to delete as few vertices as possible such that the graph of the remaining (residual) vertices is composed of disjoint paths and simple cycles. The problem falls into the well-known class of 'node-deletion problems with hereditary properties', is hence NP-complete and unlikely to admit a polynomial time approximation algorithm with approximation factor smaller than 2. In the framework of parameterized complexity, we present a kernelization algorithm that produces a kernel with at most 37k vertices, improving on the super-linear kernel of Fellows et al.'s general theorem for Bounded-Degree Vertex Deletion. Using this kernel,and the method of bounded search trees, we devise an FPT algorithm that runs in time O *(3.24 k ). On the negative side, we show that the problem is APX-hard and unlikely to have a kernel smaller than 2k by a reduction from Vertex Cover.

Quantum information theory of the Bell-state quantum eraser

NASA Astrophysics Data System (ADS)

Glick, Jennifer R.; Adami, Christoph

2017-01-01

Quantum systems can display particle- or wavelike properties, depending on the type of measurement that is performed on them. The Bell-state quantum eraser is an experiment that brings the duality to the forefront, as a single measurement can retroactively be made to measure particlelike or wavelike properties (or anything in between). Here we develop a unitary information-theoretic description of this and several related quantum measurement situations that sheds light on the trade-off between the quantum and classical features of the measurement. In particular, we show that both the coherence of the quantum state and the classical information obtained from it can be described using only quantum-information-theoretic tools and that those two measures satisfy an equality on account of the chain rule for entropies. The coherence information and the which-path information have simple interpretations in terms of state preparation and state determination and suggest ways to account for the relationship between the classical and the quantum world.

Generalized quantum Fokker-Planck, diffusion, and Smoluchowski equations with true probability distribution functions.

PubMed

Banik, Suman Kumar; Bag, Bidhan Chandra; Ray, Deb Shankar

2002-05-01

Traditionally, quantum Brownian motion is described by Fokker-Planck or diffusion equations in terms of quasiprobability distribution functions, e.g., Wigner functions. These often become singular or negative in the full quantum regime. In this paper a simple approach to non-Markovian theory of quantum Brownian motion using true probability distribution functions is presented. Based on an initial coherent state representation of the bath oscillators and an equilibrium canonical distribution of the quantum mechanical mean values of their coordinates and momenta, we derive a generalized quantum Langevin equation in c numbers and show that the latter is amenable to a theoretical analysis in terms of the classical theory of non-Markovian dynamics. The corresponding Fokker-Planck, diffusion, and Smoluchowski equations are the exact quantum analogs of their classical counterparts. The present work is independent of path integral techniques. The theory as developed here is a natural extension of its classical version and is valid for arbitrary temperature and friction (the Smoluchowski equation being considered in the overdamped limit).

A random walk approach to quantum algorithms.

PubMed

Kendon, Vivien M

2006-12-15

The development of quantum algorithms based on quantum versions of random walks is placed in the context of the emerging field of quantum computing. Constructing a suitable quantum version of a random walk is not trivial; pure quantum dynamics is deterministic, so randomness only enters during the measurement phase, i.e. when converting the quantum information into classical information. The outcome of a quantum random walk is very different from the corresponding classical random walk owing to the interference between the different possible paths. The upshot is that quantum walkers find themselves further from their starting point than a classical walker on average, and this forms the basis of a quantum speed up, which can be exploited to solve problems faster. Surprisingly, the effect of making the walk slightly less than perfectly quantum can optimize the properties of the quantum walk for algorithmic applications. Looking to the future, even with a small quantum computer available, the development of quantum walk algorithms might proceed more rapidly than it has, especially for solving real problems.

The unitary convolution approximation for heavy ions

NASA Astrophysics Data System (ADS)

Grande, P. L.; Schiwietz, G.

2002-10-01

The convolution approximation for the impact-parameter dependent energy loss is reviewed with emphasis on the determination of the stopping force for heavy projectiles. In this method, the energy loss in different impact-parameter regions is well determined and interpolated smoothly. The physical inputs of the model are the projectile-screening function (in the case of dressed ions), the electron density and oscillators strengths of the target atoms. Moreover, the convolution approximation, in the perturbative mode (called PCA), yields remarkable agreement with full semi-classical-approximation (SCA) results for bare as well as for screened ions at all impact parameters. In the unitary mode (called UCA), the method contains some higher-order effects (yielding in some cases rather good agreement with full coupled-channel calculations) and approaches the classical regime similar as the Bohr model for large perturbations ( Z/ v≫1). The results are then used to compare with experimental values of the non-equilibrium stopping force as a function of the projectile charge as well as with the equilibrium energy loss under non-aligned and channeling conditions.

Potential-Energy Surfaces, the Born-Oppenheimer Approximations, and the Franck-Condon Principle: Back to the Roots.

PubMed

Mustroph, Heinz

2016-09-05

The concept of a potential-energy surface (PES) is central to our understanding of spectroscopy, photochemistry, and chemical kinetics. However, the terminology used in connection with the basic approximations is variously, and somewhat confusingly, represented with such phrases as "adiabatic", "Born-Oppenheimer", or "Born-Oppenheimer adiabatic" approximation. Concerning the closely relevant and important Franck-Condon principle (FCP), the IUPAC definition differentiates between a classical and quantum mechanical formulation. Consequently, in many publications we find terms such as "Franck-Condon (excited) state", or a vertical transition to the "Franck-Condon point" with the "Franck-Condon geometry" that relaxes to the excited-state equilibrium geometry. The Born-Oppenheimer approximation and the "classical" model of the Franck-Condon principle are typical examples of misused terms and lax interpretations of the original theories. In this essay, we revisit the original publications of pioneers of the PES concept and the FCP to help stimulate a lively discussion and clearer thinking around these important concepts. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Product-State Approximations to Quantum States

NASA Astrophysics Data System (ADS)

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

2016-02-01

We show that for any many-body quantum state there exists an unentangled quantum state such that most of the two-body reduced density matrices are close to those of the original state. This is a statement about the monogamy of entanglement, which cannot be shared without limit in the same way as classical correlation. Our main application is to Hamiltonians that are sums of two-body terms. For such Hamiltonians we show that there exist product states with energy that is close to the ground-state energy whenever the interaction graph of the Hamiltonian has high degree. This proves the validity of mean-field theory and gives an explicitly bounded approximation error. If we allow states that are entangled within small clusters of systems but product across clusters then good approximations exist when the Hamiltonian satisfies one or more of the following properties: (1) high degree, (2) small expansion, or (3) a ground state where the blocks in the partition have sublinear entanglement. Previously this was known only in the case of small expansion or in the regime where the entanglement was close to zero. Our approximations allow an extensive error in energy, which is the scale considered by the quantum PCP (probabilistically checkable proof) and NLTS (no low-energy trivial-state) conjectures. Thus our results put restrictions on the possible Hamiltonians that could be used for a possible proof of the qPCP or NLTS conjectures. By contrast the classical PCP constructions are often based on constraint graphs with high degree. Likewise we show that the parallel repetition that is possible with classical constraint satisfaction problems cannot also be possible for quantum Hamiltonians, unless qPCP is false. The main technical tool behind our results is a collection of new classical and quantum de Finetti theorems which do not make any symmetry assumptions on the underlying states.

Stationary bubbles and their tunneling channels toward trivial geometry

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

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

2016-04-01

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

Quantum mechanical free energy profiles with post-quantization restraints: Binding free energy of the water dimer over a broad range of temperatures

NASA Astrophysics Data System (ADS)

Bishop, Kevin P.; Roy, Pierre-Nicholas

2018-03-01

Free energy calculations are a crucial part of understanding chemical systems but are often computationally expensive for all but the simplest of systems. Various enhanced sampling techniques have been developed to improve the efficiency of these calculations in numerical simulations. However, the majority of these approaches have been applied using classical molecular dynamics. There are many situations where nuclear quantum effects impact the system of interest and a classical description fails to capture these details. In this work, path integral molecular dynamics has been used in conjunction with umbrella sampling, and it has been observed that correct results are only obtained when the umbrella sampling potential is applied to a single path integral bead post quantization. This method has been validated against a Lennard-Jones benchmark system before being applied to the more complicated water dimer system over a broad range of temperatures. Free energy profiles are obtained, and these are utilized in the calculation of the second virial coefficient as well as the change in free energy from the separated water monomers to the dimer. Comparisons to experimental and ground state calculation values from the literature are made for the second virial coefficient at higher temperature and the dissociation energy of the dimer in the ground state.

Quantum mechanical free energy profiles with post-quantization restraints: Binding free energy of the water dimer over a broad range of temperatures.

PubMed

Bishop, Kevin P; Roy, Pierre-Nicholas

2018-03-14

Free energy calculations are a crucial part of understanding chemical systems but are often computationally expensive for all but the simplest of systems. Various enhanced sampling techniques have been developed to improve the efficiency of these calculations in numerical simulations. However, the majority of these approaches have been applied using classical molecular dynamics. There are many situations where nuclear quantum effects impact the system of interest and a classical description fails to capture these details. In this work, path integral molecular dynamics has been used in conjunction with umbrella sampling, and it has been observed that correct results are only obtained when the umbrella sampling potential is applied to a single path integral bead post quantization. This method has been validated against a Lennard-Jones benchmark system before being applied to the more complicated water dimer system over a broad range of temperatures. Free energy profiles are obtained, and these are utilized in the calculation of the second virial coefficient as well as the change in free energy from the separated water monomers to the dimer. Comparisons to experimental and ground state calculation values from the literature are made for the second virial coefficient at higher temperature and the dissociation energy of the dimer in the ground state.

Stationary bubbles and their tunneling channels toward trivial geometry

DOE PAGES

Chen, Pisin; Domènech, Guillem; Sasaki, Misao; ...

2016-04-07

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

Tunable optical nonreciprocity and a phonon-photon router in an optomechanical system with coupled mechanical and optical modes

NASA Astrophysics Data System (ADS)

Li, Guolong; Xiao, Xiao; Li, Yong; Wang, Xiaoguang

2018-02-01

We propose a multimode optomechanical system to realize tunable optical nonreciprocity that has the prospect of making an optical diode for information technology. The proposed model consists of two subsystems, each of which contains two optical cavities, injected with a classical field and a quantum signal via a 50:50 beam splitter, and a mechanical oscillator, coupled to both cavities via optomechanical coupling. Meanwhile two cavities and an oscillator in a subsystem are respectively coupled to their corresponding cavities and an oscillator in the other subsystem. Our scheme yields nonreciprocal effects at different frequencies with opposite directions, but each effective linear optomechanical coupling can be controlled by an independent classical one-frequency pump. With this setup one is able to apply quantum states with large fluctuations, which extends the scope of applicable quantum states, and exploit the independence of paths. Moreover, the optimal frequencies for nonreciprocal effects can be controlled by adjusting the relevant parameters. We also exhibit the path switching of two directions, from a mechanical input to two optical output channels, via tuning the signal frequency. In experiment, the considered scheme can be tuned to reach small damping rates of the oscillators relative to those of the cavities, which is more practical and requires less power than in previous schemes.

Second-Order Asymptotics for the Classical Capacity of Image-Additive Quantum Channels

NASA Astrophysics Data System (ADS)

Tomamichel, Marco; Tan, Vincent Y. F.

2015-08-01

We study non-asymptotic fundamental limits for transmitting classical information over memoryless quantum channels, i.e. we investigate the amount of classical information that can be transmitted when a quantum channel is used a finite number of times and a fixed, non-vanishing average error is permissible. In this work we consider the classical capacity of quantum channels that are image-additive, including all classical to quantum channels, as well as the product state capacity of arbitrary quantum channels. In both cases we show that the non-asymptotic fundamental limit admits a second-order approximation that illustrates the speed at which the rate of optimal codes converges to the Holevo capacity as the blocklength tends to infinity. The behavior is governed by a new channel parameter, called channel dispersion, for which we provide a geometrical interpretation.

Berry phase and Hannay's angle in a quantum-classical hybrid system

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

Liu, H. D.; Wu, S. L.; Yi, X. X.

2011-06-15

The Berry phase, which was discovered more than two decades ago, provides very deep insight into the geometric structure of quantum mechanics. Its classical counterpart, Hannay's angle, is defined if closed curves of action variables return to the same curves in phase space after a time evolution. In this paper we study the Berry phase and Hannay's angle in a quantum-classical hybrid system under the Born-Oppenheimer approximation. By the term quantum-classical hybrid system, we mean a composite system consists of a quantum subsystem and a classical subsystem. The effects of subsystem-subsystem couplings on the Berry phase and Hannay's angle aremore » explored. The results show that the Berry phase has been changed sharply by the couplings, whereas the couplings have a small effect on the Hannay's angle.« less

Real-time Collision Avoidance and Path Optimizer for Semi-autonomous UAVs.

NASA Astrophysics Data System (ADS)

Hawary, A. F.; Razak, N. A.

2018-05-01

Whilst UAV offers a potentially cheaper and more localized observation platform than current satellite or land-based approaches, it requires an advance path planner to reveal its true potential, particularly in real-time missions. Manual control by human will have limited line-of-sights and prone to errors due to careless and fatigue. A good alternative solution is to equip the UAV with semi-autonomous capabilities that able to navigate via a pre-planned route in real-time fashion. In this paper, we propose an easy-and-practical path optimizer based on the classical Travelling Salesman Problem and adopts a brute force search method to re-optimize the route in the event of collisions using range finder sensor. The former utilizes a Simple Genetic Algorithm and the latter uses Nearest Neighbour algorithm. Both algorithms are combined to optimize the route and avoid collision at once. Although many researchers proposed various path planning algorithms, we find that it is difficult to integrate on a basic UAV model and often lacks of real-time collision detection optimizer. Therefore, we explore a practical benefit from this approach using on-board Arduino and Ardupilot controllers by manually emulating the motion of an actual UAV model prior to test on the flying site. The result showed that the range finder sensor provides a real-time data to the algorithm to find a collision-free path and eventually optimized the route successfully.

Controlling lightwave in Riemann space by merging geometrical optics with transformation optics.

PubMed

Liu, Yichao; Sun, Fei; He, Sailing

2018-01-11

In geometrical optical design, we only need to choose a suitable combination of lenses, prims, and mirrors to design an optical path. It is a simple and classic method for engineers. However, people cannot design fantastical optical devices such as invisibility cloaks, optical wormholes, etc. by geometrical optics. Transformation optics has paved the way for these complicated designs. However, controlling the propagation of light by transformation optics is not a direct design process like geometrical optics. In this study, a novel mixed method for optical design is proposed which has both the simplicity of classic geometrical optics and the flexibility of transformation optics. This mixed method overcomes the limitations of classic optical design; at the same time, it gives intuitive guidance for optical design by transformation optics. Three novel optical devices with fantastic functions have been designed using this mixed method, including asymmetrical transmissions, bidirectional focusing, and bidirectional cloaking. These optical devices cannot be implemented by classic optics alone and are also too complicated to be designed by pure transformation optics. Numerical simulations based on both the ray tracing method and full-wave simulation method are carried out to verify the performance of these three optical devices.

Flow Ambiguity: A Path Towards Classically Driven Blind Quantum Computation

NASA Astrophysics Data System (ADS)

Mantri, Atul; Demarie, Tommaso F.; Menicucci, Nicolas C.; Fitzsimons, Joseph F.

2017-07-01

Blind quantum computation protocols allow a user to delegate a computation to a remote quantum computer in such a way that the privacy of their computation is preserved, even from the device implementing the computation. To date, such protocols are only known for settings involving at least two quantum devices: either a user with some quantum capabilities and a remote quantum server or two or more entangled but noncommunicating servers. In this work, we take the first step towards the construction of a blind quantum computing protocol with a completely classical client and single quantum server. Specifically, we show how a classical client can exploit the ambiguity in the flow of information in measurement-based quantum computing to construct a protocol for hiding critical aspects of a computation delegated to a remote quantum computer. This ambiguity arises due to the fact that, for a fixed graph, there exist multiple choices of the input and output vertex sets that result in deterministic measurement patterns consistent with the same fixed total ordering of vertices. This allows a classical user, computing only measurement angles, to drive a measurement-based computation performed on a remote device while hiding critical aspects of the computation.

Computational Role of Tunneling in a Programmable Quantum Annealer

NASA Technical Reports Server (NTRS)

Boixo, Sergio; Smelyanskiy, Vadim; Shabani, Alireza; Isakov, Sergei V.; Dykman, Mark; Amin, Mohammad; Mohseni, Masoud; Denchev, Vasil S.; Neven, Hartmut

2016-01-01

Quantum tunneling is a phenomenon in which a quantum state tunnels through energy barriers above the energy of the state itself. Tunneling has been hypothesized as an advantageous physical resource for optimization. Here we present the first experimental evidence of a computational role of multiqubit quantum tunneling in the evolution of a programmable quantum annealer. We developed a theoretical model based on a NIBA Quantum Master Equation to describe the multi-qubit dissipative cotunneling effects under the complex noise characteristics of such quantum devices.We start by considering a computational primitive, the simplest non-convex optimization problem consisting of just one global and one local minimum. The quantum evolutions enable tunneling to the global minimum while the corresponding classical paths are trapped in a false minimum. In our study the non-convex potentials are realized by frustrated networks of qubit clusters with strong intra-cluster coupling. We show that the collective effect of the quantum environment is suppressed in the critical phase during the evolution where quantum tunneling decides the right path to solution. In a later stage dissipation facilitates the multiqubit cotunneling leading to the solution state. The predictions of the model accurately describe the experimental data from the D-WaveII quantum annealer at NASA Ames. In our computational primitive the temperature dependence of the probability of success in the quantum model is opposite to that of the classical paths with thermal hopping. Specially, we provide an analysis of an optimization problem with sixteen qubits,demonstrating eight qubit cotunneling that increases success probabilities. Furthermore, we report results for larger problems with up to 200 qubits that contain the primitive as subproblems.

A Classical Based Derivation of Time Dilation Providing First Order Accuracy to Schwarzschild's Solution of Einstein's Field Equations

NASA Astrophysics Data System (ADS)

Austin, Rickey W.

In Einstein's theory of Special Relativity (SR), one method to derive relativistic kinetic energy is via applying the classical work-energy theorem to relativistic momentum. This approach starts with a classical based work-energy theorem and applies SR's momentum to the derivation. One outcome of this derivation is relativistic kinetic energy. From this derivation, it is rather straight forward to form a kinetic energy based time dilation function. In the derivation of General Relativity a common approach is to bypass classical laws as a starting point. Instead a rigorous development of differential geometry and Riemannian space is constructed, from which classical based laws are derived. This is in contrast to SR's approach of starting with classical laws and applying the consequences of the universal speed of light by all observers. A possible method to derive time dilation due to Newtonian gravitational potential energy (NGPE) is to apply SR's approach to deriving relativistic kinetic energy. It will be shown this method gives a first order accuracy compared to Schwarzschild's metric. The SR's kinetic energy and the newly derived NGPE derivation are combined to form a Riemannian metric based on these two energies. A geodesic is derived and calculations compared to Schwarzschild's geodesic for an orbiting test mass about a central, non-rotating, non-charged massive body. The new metric results in high accuracy calculations when compared to Einsteins General Relativity's prediction. The new method provides a candidate approach for starting with classical laws and deriving General Relativity effects. This approach mimics SR's method of starting with classical mechanics when deriving relativistic equations. As a compliment to introducing General Relativity, it provides a plausible scaffolding method from classical physics when teaching introductory General Relativity. A straight forward path from classical laws to General Relativity will be derived. This derivation provides a minimum first order accuracy to Schwarzschild's solution to Einstein's field equations.

Thermally Driven One-Fluid Electron-Proton Solar Wind: Eight-Moment Approximation

NASA Astrophysics Data System (ADS)

Olsen, Espen Lyngdal; Leer, Egil

1996-05-01

In an effort to improve the "classical" solar wind model, we study an eight-moment approximation hydrodynamic solar wind model, in which the full conservation equation for the heat conductive flux is solved together with the conservation equations for mass, momentum, and energy. We consider two different cases: In one model the energy flux needed to drive the solar wind is supplied as heat flux from a hot coronal base, where both the density and temperature are specified. In the other model, the corona is heated. In that model, the coronal base density and temperature are also specified, but the temperature increases outward from the coronal base due to a specified energy flux that is dissipated in the corona. The eight-moment approximation solutions are compared with the results from a "classical" solar wind model in which the collision-dominated gas expression for the heat conductive flux is used. It is shown that the "classical" expression for the heat conductive flux is generally not valid in the solar wind. In collisionless regions of the flow, the eight-moment approximation gives a larger thermalization of the heat conductive flux than the models using the collision-dominated gas approximation for the heat flux, but the heat flux is still larger than the "saturation heat flux." This leads to a breakdown of the electron distribution function, which turns negative in the collisionless region of the flow. By increasing the interaction between the electrons, the heat flux is reduced, and a reasonable shape is obtained on the distribution function. By solving the full set of equations consistent with the eight-moment distribution function for the electrons, we are thus able to draw inferences about the validity of the eight-moment description of the solar wind as well as the validity of the very commonly used collision-dominated gas approximation for the heat conductive flux in the solar wind.

Limitations of shallow nets approximation.

PubMed

Lin, Shao-Bo

2017-10-01

In this paper, we aim at analyzing the approximation abilities of shallow networks in reproducing kernel Hilbert spaces (RKHSs). We prove that there is a probability measure such that the achievable lower bound for approximating by shallow nets can be realized for all functions in balls of reproducing kernel Hilbert space with high probability, which is different with the classical minimax approximation error estimates. This result together with the existing approximation results for deep nets shows the limitations for shallow nets and provides a theoretical explanation on why deep nets perform better than shallow nets. Copyright © 2017 Elsevier Ltd. All rights reserved.

Mean square cordial labelling related to some acyclic graphs and its rough approximations

NASA Astrophysics Data System (ADS)

Dhanalakshmi, S.; Parvathi, N.

2018-04-01

In this paper we investigate that the path Pn, comb graph Pn⊙K1, n-centipede graph,centipede graph (n,2) and star Sn admits mean square cordial labeling. Also we proved that the induced sub graph obtained by the upper approximation of any sub graph H of the above acyclic graphs admits mean square cordial labeling.

Path loss analysis in millimeter wave cellular systems for urban mobile communications

NASA Astrophysics Data System (ADS)

Rajagopalan, Ramesh; Hoffman, Mitchell

2016-09-01

The proliferation in the number of mobile devices and developments in cellular technology has led to an ever increasing demand for mobile data. The global bandwidth shortage facing wireless carriers today has motivated research for fifth generation (5G) cellular systems. In recent years, millimeter wave (mmW) frequencies between 30 and 300 GHz are being considered as a promising technology for 5G systems. Such systems can offer superior user experience by providing data rates that exceed one Gigabit per second and latencies lower than a millisecond. However, there is little research about cellular mmW propagation in densely populated urban environments. Understanding the radio channel is a primary requirement for optimal design of mmW systems. Radio propagation in mmW systems faces significant challenges due to rapidly varying channel conditions and intermittent connectivity. In this paper, we study the propagation of mmW spectrum in an urban environment. We use a statistical model to simulate an urban environment with diverse building distributions. We perform extensive simulations to analyze the path loss behavior for both line of sight (LOS) and non line of sight (NLOS) conditions for 28 GHZ and 73 GHZ mmW frequencies. We observe that the path loss approximates a logarithmic fit for both LOS and NLOS environments. Our simulations show that the omnidirectional free space path loss is approximately 30 dB higher for mmW systems compared to current 3G PP cellular systems. To address this challenge, we propose using highly directional horn antennas with beam forming for reducing the path loss.

Quantum versus classical dynamics in the optical centrifuge

NASA Astrophysics Data System (ADS)

Armon, Tsafrir; Friedland, Lazar

2017-09-01

The interplay between classical and quantum-mechanical evolution in the optical centrifuge (OC) is discussed. The analysis is based on the quantum-mechanical formalism starting from either the ground state or a thermal ensemble. Two resonant mechanisms are identified, i.e., the classical autoresonance and the quantum-mechanical ladder climbing, yielding different dynamics and rotational excitation efficiencies. The rotating-wave approximation is used to analyze the two resonant regimes in the associated dimensionless two-parameter space and calculate the OC excitation efficiency. The results show good agreement between numerical simulations and theory and are relevant to existing experimental setups.

Quantum mechanical models for the Fermi shuttle

NASA Astrophysics Data System (ADS)

Sternberg, James; Ovchinnikov, S. Yu.; Macek, J. H.

2009-05-01

Although the Fermi shuttle was originally proposed as an explanation for highly energetic cosmic rays, it is also a mechanism for the production of high energy electrons in atomic collisions [1]. The Fermi shuttle is usually thought of as a classical effect and most models of this process rely on classical or semi-classical approximations. In this work we explore several quantum mechanical models for ion-atom collisions and examine the evidence for the Fermi shuttle in these models. [4pt] [1] B. Sulik, Cs. Koncz, K. Tok'esi, A. Orb'an, and D. Ber'enyi, Phys Rev. Lett. 88 073201 (2002)

Quantum versus classical hyperfine-induced dynamics in a quantum dota)

NASA Astrophysics Data System (ADS)

Coish, W. A.; Loss, Daniel; Yuzbashyan, E. A.; Altshuler, B. L.

2007-04-01

In this article we analyze spin dynamics for electrons confined to semiconductor quantum dots due to the contact hyperfine interaction. We compare mean-field (classical) evolution of an electron spin in the presence of a nuclear field with the exact quantum evolution for the special case of uniform hyperfine coupling constants. We find that (in this special case) the zero-magnetic-field dynamics due to the mean-field approximation and quantum evolution are similar. However, in a finite magnetic field, the quantum and classical solutions agree only up to a certain time scale t <τc, after which they differ markedly.

Path integral Monte Carlo simulations of H2 adsorbed to lithium-doped benzene: A model for hydrogen storage materials

NASA Astrophysics Data System (ADS)

Lindoy, Lachlan P.; Kolmann, Stephen J.; D'Arcy, Jordan H.; Crittenden, Deborah L.; Jordan, Meredith J. T.

2015-11-01

Finite temperature quantum and anharmonic effects are studied in H2-Li+-benzene, a model hydrogen storage material, using path integral Monte Carlo (PIMC) simulations on an interpolated potential energy surface refined over the eight intermolecular degrees of freedom based upon M05-2X/6-311+G(2df,p) density functional theory calculations. Rigid-body PIMC simulations are performed at temperatures ranging from 77 K to 150 K, producing both quantum and classical probability density histograms describing the adsorbed H2. Quantum effects broaden the histograms with respect to their classical analogues and increase the expectation values of the radial and angular polar coordinates describing the location of the center-of-mass of the H2 molecule. The rigid-body PIMC simulations also provide estimates of the change in internal energy, ΔUads, and enthalpy, ΔHads, for H2 adsorption onto Li+-benzene, as a function of temperature. These estimates indicate that quantum effects are important even at room temperature and classical results should be interpreted with caution. Our results also show that anharmonicity is more important in the calculation of U and H than coupling—coupling between the intermolecular degrees of freedom becomes less important as temperature increases whereas anharmonicity becomes more important. The most anharmonic motions in H2-Li+-benzene are the "helicopter" and "ferris wheel" H2 rotations. Treating these motions as one-dimensional free and hindered rotors, respectively, provides simple corrections to standard harmonic oscillator, rigid rotor thermochemical expressions for internal energy and enthalpy that encapsulate the majority of the anharmonicity. At 150 K, our best rigid-body PIMC estimates for ΔUads and ΔHads are -13.3 ± 0.1 and -14.5 ± 0.1 kJ mol-1, respectively.

Decoherence can relax cosmic acceleration

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

Markkanen, Tommi

In this work we investigate the semi-classical backreaction for a quantised conformal scalar field and classical vacuum energy. In contrast to the usual approximation of a closed system, our analysis includes an environmental sector such that a quantum-to-classical transition can take place. We show that when the system decoheres into a mixed state with particle number as the classical observable de Sitter space is destabilized, which is observable as a gradually decreasing Hubble rate. In particular we show that at late times this mechanism can drive the curvature of the Universe to zero and has an interpretation as the decaymore » of the vacuum energy demonstrating that quantum effects can be relevant for the fate of the Universe.« less

Investigation of in-body path loss in different human subjects for localization of capsule endoscope.

PubMed

Ara, Perzila; Cheng, Shaokoon; Heimlich, Michael; Dutkiewicz, Eryk

2015-01-01

Recent developments in capsule endoscopy have highlighted the need for accurate techniques to estimate the location of a capsule endoscope. A highly accurate location estimation of a capsule endoscope in the gastrointestinal (GI) tract in the range of several millimeters is a challenging task. This is mainly because the radio-frequency signals encounter high loss and a highly dynamic channel propagation environment. Therefore, an accurate path-loss model is required for the development of accurate localization algorithms. This paper presents an in-body path-loss model for the human abdomen region at 2.4 GHz frequency. To develop the path-loss model, electromagnetic simulations using the Finite-Difference Time-Domain (FDTD) method were carried out on two different anatomical human models. A mathematical expression for the path-loss model was proposed based on analysis of the measured loss at different capsule locations inside the small intestine. The proposed path-loss model is a good approximation to model in-body RF propagation, since the real measurements are quite infeasible for the capsule endoscopy subject.

Reduced Order Podolsky Model

NASA Astrophysics Data System (ADS)

Thibes, Ronaldo

2017-02-01

We perform the canonical and path integral quantizations of a lower-order derivatives model describing Podolsky's generalized electrodynamics. The physical content of the model shows an auxiliary massive vector field coupled to the usual electromagnetic field. The equivalence with Podolsky's original model is studied at classical and quantum levels. Concerning the dynamical time evolution, we obtain a theory with two first-class and two second-class constraints in phase space. We calculate explicitly the corresponding Dirac brackets involving both vector fields. We use the Senjanovic procedure to implement the second-class constraints and the Batalin-Fradkin-Vilkovisky path integral quantization scheme to deal with the symmetries generated by the first-class constraints. The physical interpretation of the results turns out to be simpler due to the reduced derivatives order permeating the equations of motion, Dirac brackets and effective action.

Dynamics of magnetic shells and information loss problem

NASA Astrophysics Data System (ADS)

Lee, Bum-Hoon; Lee, Wonwoo; Yeom, Dong-han

2015-07-01

We investigate dynamics of magnetic thin-shells in three dimensional anti-de Sitter background. Because of the magnetic field, an oscillatory solution is possible. This oscillating shell can tunnel to a collapsing shell or a bouncing shell, where both tunnelings induce an event horizon and a singularity. In the entire path integral, via the oscillating solution, there is a nonzero probability to maintain a trivial causal structure without a singularity. Therefore, due to the path integral, the entire wave function can conserve information. Since an oscillating shell can tunnel after a number of oscillations, in the end, it will allow an infinite number of different branchings to classical histories. This system can be a good model of the effective loss of information, where information is conserved by a solution that is originated from gauge fields.

Operator Ordering and Classical Soliton Path in Two-Dimensional N = 2 Supersymmetry with KÄHLER Potential

NASA Astrophysics Data System (ADS)

Motoyui, Nobuyuki; Yamada, Mitsuru

We investigate a two-dimensional N = 2 supersymmetric model which consists of n chiral superfields with Kähler potential. When we define quantum observables, we are always plagued by operator ordering problem. Among various ways to fix the operator order, we rely upon the supersymmetry. We demonstrate that the correct operator order is given by requiring the super-Poincaré algebra by carrying out the canonical Dirac bracket quantization. This is shown to be also true when the supersymmetry algebra has a central extension by the presence of topological soliton. It is also shown that the path of soliton is a straight line in the complex plane of superpotential W and triangular mass inequality holds. One half of supersymmetry is broken by the presence of soliton.

Schrödinger-Poisson-Vlasov-Poisson correspondence

NASA Astrophysics Data System (ADS)

Mocz, Philip; Lancaster, Lachlan; Fialkov, Anastasia; Becerra, Fernando; Chavanis, Pierre-Henri

2018-04-01

The Schrödinger-Poisson equations describe the behavior of a superfluid Bose-Einstein condensate under self-gravity with a 3D wave function. As ℏ/m →0 , m being the boson mass, the equations have been postulated to approximate the collisionless Vlasov-Poisson equations also known as the collisionless Boltzmann-Poisson equations. The latter describe collisionless matter with a 6D classical distribution function. We investigate the nature of this correspondence with a suite of numerical test problems in 1D, 2D, and 3D along with analytic treatments when possible. We demonstrate that, while the density field of the superfluid always shows order unity oscillations as ℏ/m →0 due to interference and the uncertainty principle, the potential field converges to the classical answer as (ℏ/m )2. Thus, any dynamics coupled to the superfluid potential is expected to recover the classical collisionless limit as ℏ/m →0 . The quantum superfluid is able to capture rich phenomena such as multiple phase-sheets, shell-crossings, and warm distributions. Additionally, the quantum pressure tensor acts as a regularizer of caustics and singularities in classical solutions. This suggests the exciting prospect of using the Schrödinger-Poisson equations as a low-memory method for approximating the high-dimensional evolution of the Vlasov-Poisson equations. As a particular example we consider dark matter composed of ultralight axions, which in the classical limit (ℏ/m →0 ) is expected to manifest itself as collisionless cold dark matter.

Effect of reflected and refracted signals on coherent underwater acoustic communication: results from the Kauai experiment (KauaiEx 2003).

PubMed

Rouseff, Daniel; Badiey, Mohsen; Song, Aijun

2009-11-01

The performance of a communications equalizer is quantified in terms of the number of acoustic paths that are treated as usable signal. The analysis uses acoustical and oceanographic data collected off the Hawaiian Island of Kauai. Communication signals were measured on an eight-element vertical array at two different ranges, 1 and 2 km, and processed using an equalizer based on passive time-reversal signal processing. By estimating the Rayleigh parameter, it is shown that all paths reflected by the sea surface at both ranges undergo incoherent scattering. It is demonstrated that some of these incoherently scattered paths are still useful for coherent communications. At range of 1 km, optimal communications performance is achieved when six acoustic paths are retained and all paths with more than one reflection off the sea surface are rejected. Consistent with a model that ignores loss from near-surface bubbles, the performance improves by approximately 1.8 dB when increasing the number of retained paths from four to six. The four-path results though are more stable and require less frequent channel estimation. At range of 2 km, ray refraction is observed and communications performance is optimal when some paths with two sea-surface reflections are retained.

Total Solar Eclipse of 2006 March 29

NASA Technical Reports Server (NTRS)

Espenak, F.; Anderson, J.

2004-01-01

On 2006 March 29, a total eclipse of the Sun will be visible from within a narrow corridor which traverses half the Earth. The path of the Moon's umbral shadow begins in Brazil and extends across the Atlantic, northern Africa, and central Asia where it ends at sunset in western Mongolia. A partial eclipse will be seen within the much broader path of the Moon's penumbral shadow, which includes the northern two thirds of Africa, Europe, and central Asia.Detailed predictions for this event are presented and include besselian elements, geographic coordinates of the path of totality, physical ephemeris of the umbra, topocentric limb profile corrections, local circumstances for approximately 350 cities, maps of the eclipse path, weather prospects, the lunar limb profile, and the sky during totality. Information on safe eclipse viewing and eclipse photography is included.

Total Solar Eclipse of 2001 June 21

NASA Technical Reports Server (NTRS)

Espenak, Fred; Anderson, Jay

1999-01-01

On 2001 June 21, a total eclipse of the Sun will be visible from within a narrow corridor which traverses the Southern Hemisphere. The path of the Moon's umbral shadow begins in the South Atlantic, crosses southern Africa and Madagascar, and ends at sunset in the Indian Ocean. A partial eclipse will be seen within the much broader path of the Moon's penumbral shadow, which includes eastern South America and the southern two thirds of Africa. Detailed predictions for this event are presented and include besselian elements, geographic coordinates of the path of totality, physical ephemeris of the umbra, topocentric limb profile corrections, local circumstances for approximately 350 cities, maps of the eclipse path, weather prospects, the lunar limb profile and the sky during totality. Tips and suggestions are also given on how to safely view and photograph the eclipse.

System and method for multi-stage bypass, low operating temperature suppressor for automatic weapons

DOEpatents

Moss, William C.; Anderson, Andrew T.

2015-06-09

The present disclosure relates to a suppressor for use with a weapon. The suppressor may be formed to have a body portion having a bore extending concentric with a bore axis of the weapon barrel. An opening in the bore extends at least substantially circumferentially around the bore. A flow path communicates with the opening and defines a channel for redirecting gasses flowing in the bore out from the bore, through the opening, into a rearward direction in the flow path. The flow path raises a pressure at the opening to generate a Mach disk within the bore at a location approximately coincident with the opening. The Mach disk forms as a virtual baffle to divert at least a portion of the gasses into the opening and into the flow path.

Total Solar Eclipse of 2002 December 04

NASA Technical Reports Server (NTRS)

Espenak, Fred; Anderson, Jay

2001-01-01

On 2002 December 04, a total eclipse of the Sun will be visible from within a narrow corridor which traverses the Southern Hemisphere. The path of the Moon's umbral shadow begins in the South Atlantic, crosses southern Africa and the Indian Ocean, and ends at sunset in southern Australia. A partial eclipse will be seen within the much broader path of the Moon's penumbral shadow, which includes the southern two thirds of Africa, Antarctica, Indian Ocean and Australia. Detailed predictions for this event are presented and include besselian elements, geographic coordinates of the path of totality, physical ephemeris of the umbra, topocentric limb profile corrections, local circumstances for approximately 400 cities, maps of the eclipse path, weather prospects, the lunar limb profile and the sky during totality. Information on safe eclipse viewing and eclipse photography is included.

Young's moduli of carbon materials investigated by various classical molecular dynamics schemes

NASA Astrophysics Data System (ADS)

Gayk, Florian; Ehrens, Julian; Heitmann, Tjark; Vorndamme, Patrick; Mrugalla, Andreas; Schnack, Jürgen

2018-05-01

For many applications classical carbon potentials together with classical molecular dynamics are employed to calculate structures and physical properties of such carbon-based materials where quantum mechanical methods fail either due to the excessive size, irregular structure or long-time dynamics. Although such potentials, as for instance implemented in LAMMPS, yield reasonably accurate bond lengths and angles for several carbon materials such as graphene, it is not clear how accurate they are in terms of mechanical properties such as for instance Young's moduli. We performed large-scale classical molecular dynamics investigations of three carbon-based materials using the various potentials implemented in LAMMPS as well as the EDIP potential of Marks. We show how the Young's moduli vary with classical potentials and compare to experimental results. Since classical descriptions of carbon are bound to be approximations it is not astonishing that different realizations yield differing results. One should therefore carefully check for which observables a certain potential is suited. Our aim is to contribute to such a clarification.

Repeatability of measurements: Non-Hermitian observables and quantum Coriolis force

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

Gardas, Bartłomiej; Deffner, Sebastian; Saxena, Avadh

A noncommuting measurement transfers, via the apparatus, information encoded in a system's state to the external “observer.” Classical measurements determine properties of physical objects. In the quantum realm, the very same notion restricts the recording process to orthogonal states as only those are distinguishable by measurements. Thus, even a possibility to describe physical reality by means of non-Hermitian operators should volens nolens be excluded as their eigenstates are not orthogonal. We show that non-Hermitian operators with real spectra can be treated within the standard framework of quantum mechanics. Further, we propose a quantum canonical transformation that maps Hermitian systems ontomore » non-Hermitian ones. Similar to classical inertial forces this map is accompanied by an energetic cost, pinning the system on the unitary path.« less

Repeatability of measurements: Non-Hermitian observables and quantum Coriolis force

DOE PAGES

Gardas, Bartłomiej; Deffner, Sebastian; Saxena, Avadh

2016-08-26

A noncommuting measurement transfers, via the apparatus, information encoded in a system's state to the external “observer.” Classical measurements determine properties of physical objects. In the quantum realm, the very same notion restricts the recording process to orthogonal states as only those are distinguishable by measurements. Thus, even a possibility to describe physical reality by means of non-Hermitian operators should volens nolens be excluded as their eigenstates are not orthogonal. We show that non-Hermitian operators with real spectra can be treated within the standard framework of quantum mechanics. Further, we propose a quantum canonical transformation that maps Hermitian systems ontomore » non-Hermitian ones. Similar to classical inertial forces this map is accompanied by an energetic cost, pinning the system on the unitary path.« less

A blueprint for demonstrating quantum supremacy with superconducting qubits

NASA Astrophysics Data System (ADS)

Neill, C.; Roushan, P.; Kechedzhi, K.; Boixo, S.; Isakov, S. V.; Smelyanskiy, V.; Megrant, A.; Chiaro, B.; Dunsworth, A.; Arya, K.; Barends, R.; Burkett, B.; Chen, Y.; Chen, Z.; Fowler, A.; Foxen, B.; Giustina, M.; Graff, R.; Jeffrey, E.; Huang, T.; Kelly, J.; Klimov, P.; Lucero, E.; Mutus, J.; Neeley, M.; Quintana, C.; Sank, D.; Vainsencher, A.; Wenner, J.; White, T. C.; Neven, H.; Martinis, J. M.

2018-04-01

A key step toward demonstrating a quantum system that can address difficult problems in physics and chemistry will be performing a computation beyond the capabilities of any classical computer, thus achieving so-called quantum supremacy. In this study, we used nine superconducting qubits to demonstrate a promising path toward quantum supremacy. By individually tuning the qubit parameters, we were able to generate thousands of distinct Hamiltonian evolutions and probe the output probabilities. The measured probabilities obey a universal distribution, consistent with uniformly sampling the full Hilbert space. As the number of qubits increases, the system continues to explore the exponentially growing number of states. Extending these results to a system of 50 qubits has the potential to address scientific questions that are beyond the capabilities of any classical computer.

Inter- and intra-lower limb joint coordination of non-expert classical ballet dancers during tiptoe standing.

PubMed

Tanabe, Hiroko; Fujii, Keisuke; Kouzaki, Motoki

2014-04-01

The main objective of this study was to compare ballet dancers' and non-dancers' joint coordination during tiptoe standing. Nine female non-expert ballet dancers and nine female non-dancers were asked to perform heel-toe and tiptoe standing for approximately 30s, during which the center of pressure (COP) and kinematic data from the metatarsophalangeal, ankle, knee, and hip joints were measured. Principal component analysis was performed on the angular displacements to determine joint coordination. The weighting vectors suggested that dancers' ankle and knee joints fluctuated in-phase in the anteroposterior direction, whereas all combinations of adjacent joints had anti-phase coordination for non-dancers. In addition, there was a significant difference in the intra-joint coordination pattern between groups. In particular, dancers' metatarsophalangeal (MP) and ankle joints tended to sway to the left-front or right-rear. However, there were no differences between the groups in the path length or rectangular COP. These results suggest that dancers maintained quiet postures via a decrease in the mechanical degree of freedom and that postural expertise may not be determined from a traditional COP analysis, even during unstable tiptoe standing. This in-phase coordination, which has an arch-like configuration, could be characteristic of dancers' lithe legs. Copyright © 2014 Elsevier B.V. All rights reserved.

Gaseous phase ion detection method based on laser-induced fluorescence for ion mobility spectrometer

NASA Astrophysics Data System (ADS)

Guo, Kaitai; Ni, Kai; Ou, Guangli; Zhang, Xiaoguo; Yu, Quan; Qian, Xiang; Wang, Xiaohao

2015-08-01

Ion mobility spectrometry (IMS) is widely used in the field of chemical composition analysis. Faraday cup is the most classical method to detect ions for IMS in the atmospheric pressure. However, the performance of Faraday plate was limited by many kinds of factors, including interfering electromagnetic waves, thermal(Johnson) noise, induced current , gain bandwidth product, etc. There is a theoretical limit in detection of ions at ambient condition which is approximately 106 ions per second. In this paper, we introduced a novel way using laser-induced fluorescence (LIF) to bypass the limitation of Faraday plate. Fluorescent ions which were selected by IMS get excited when they fly through the laser excitation area. The fluorescence emitted by the excited ions was captured exponentially and amplified through proper optoelectronic system. Rhodamine 6G (R6G) was selected as the fluorochrome for the reason that excitation wavelength, emission wavelength, and fluorescence quantum yield were more appropriate than others. An orthometric light path is designed to eliminate the adverse impact which was caused by induced laser. The experiment result shows that a fluorescence signal from the sample ions of the IMS could be observed. Compared with Faraday plate, the LIF-IMS may find a potential application in more system at the atmosphere condition.

Quantization of Simple Parametrized Systems

NASA Astrophysics Data System (ADS)

Ruffini, Giulio

1995-01-01

I study the canonical formulation and quantization of some simple parametrized systems using Dirac's formalism and the Becchi-Rouet-Stora-Tyutin (BRST) extended phase space method. These systems include the parametrized particle and minisuperspace. Using Dirac's formalism I first analyze for each case the construction of the classical reduced phase space. There are two separate features of these systems that may make this construction difficult: (a) Because of the boundary conditions used, the actions are not gauge invariant at the boundaries. (b) The constraints may have a disconnected solution space. The relativistic particle and minisuperspace have such complicated constraints, while the non-relativistic particle displays only the first feature. I first show that a change of gauge fixing is equivalent to a canonical transformation in the reduced phase space, thus resolving the problems associated with the first feature above. Then I consider the quantization of these systems using several approaches: Dirac's method, Dirac-Fock quantization, and the BRST formalism. In the cases of the relativistic particle and minisuperspace I consider first the quantization of one branch of the constraint at the time and then discuss the backgrounds in which it is possible to quantize simultaneously both branches. I motivate and define the inner product, and obtain, for example, the Klein-Gordon inner product for the relativistic case. Then I show how to construct phase space path integral representations for amplitudes in these approaches--the Batalin-Fradkin-Vilkovisky (BFV) and the Faddeev path integrals --from which one can then derive the path integrals in coordinate space--the Faddeev-Popov path integral and the geometric path integral. In particular I establish the connection between the Hilbert space representation and the range of the lapse in the path integrals. I also examine the class of paths that contribute in the path integrals and how they affect space-time covariance, concluding that it is consistent to take paths that move forward in time only when there is no electric field. The key elements in this analysis are the space-like paths and the behavior of the action under the non-trivial ( Z_2) element of the reparametrization group.

Springback effects during single point incremental forming: Optimization of the tool path

NASA Astrophysics Data System (ADS)

Giraud-Moreau, Laurence; Belchior, Jérémy; Lafon, Pascal; Lotoing, Lionel; Cherouat, Abel; Courtielle, Eric; Guines, Dominique; Maurine, Patrick

2018-05-01

Incremental sheet forming is an emerging process to manufacture sheet metal parts. This process is more flexible than conventional one and well suited for small batch production or prototyping. During the process, the sheet metal blank is clamped by a blank-holder and a small-size smooth-end hemispherical tool moves along a user-specified path to deform the sheet incrementally. Classical three-axis CNC milling machines, dedicated structure or serial robots can be used to perform the forming operation. Whatever the considered machine, large deviations between the theoretical shape and the real shape can be observed after the part unclamping. These deviations are due to both the lack of stiffness of the machine and residual stresses in the part at the end of the forming stage. In this paper, an optimization strategy of the tool path is proposed in order to minimize the elastic springback induced by residual stresses after unclamping. A finite element model of the SPIF process allowing the shape prediction of the formed part with a good accuracy is defined. This model, based on appropriated assumptions, leads to calculation times which remain compatible with an optimization procedure. The proposed optimization method is based on an iterative correction of the tool path. The efficiency of the method is shown by an improvement of the final shape.

Unified path integral approach to theories of diffusion-influenced reactions

NASA Astrophysics Data System (ADS)

Prüstel, Thorsten; Meier-Schellersheim, Martin

2017-08-01

Building on mathematical similarities between quantum mechanics and theories of diffusion-influenced reactions, we develop a general approach for computational modeling of diffusion-influenced reactions that is capable of capturing not only the classical Smoluchowski picture but also alternative theories, as is here exemplified by a volume reactivity model. In particular, we prove the path decomposition expansion of various Green's functions describing the irreversible and reversible reaction of an isolated pair of molecules. To this end, we exploit a connection between boundary value and interaction potential problems with δ - and δ'-function perturbation. We employ a known path-integral-based summation of a perturbation series to derive a number of exact identities relating propagators and survival probabilities satisfying different boundary conditions in a unified and systematic manner. Furthermore, we show how the path decomposition expansion represents the propagator as a product of three factors in the Laplace domain that correspond to quantities figuring prominently in stochastic spatially resolved simulation algorithms. This analysis will thus be useful for the interpretation of current and the design of future algorithms. Finally, we discuss the relation between the general approach and the theory of Brownian functionals and calculate the mean residence time for the case of irreversible and reversible reactions.

Quantum Adiabatic Algorithms and Large Spin Tunnelling

NASA Technical Reports Server (NTRS)

Boulatov, A.; Smelyanskiy, V. N.

2003-01-01

We provide a theoretical study of the quantum adiabatic evolution algorithm with different evolution paths proposed in this paper. The algorithm is applied to a random binary optimization problem (a version of the 3-Satisfiability problem) where the n-bit cost function is symmetric with respect to the permutation of individual bits. The evolution paths are produced, using the generic control Hamiltonians H (r) that preserve the bit symmetry of the underlying optimization problem. In the case where the ground state of H(0) coincides with the totally-symmetric state of an n-qubit system the algorithm dynamics is completely described in terms of the motion of a spin-n/2. We show that different control Hamiltonians can be parameterized by a set of independent parameters that are expansion coefficients of H (r) in a certain universal set of operators. Only one of these operators can be responsible for avoiding the tunnelling in the spin-n/2 system during the quantum adiabatic algorithm. We show that it is possible to select a coefficient for this operator that guarantees a polynomial complexity of the algorithm for all problem instances. We show that a successful evolution path of the algorithm always corresponds to the trajectory of a classical spin-n/2 and provide a complete characterization of such paths.

Path profiles of Cn2 derived from radiometer temperature measurements and geometrical ray tracing

NASA Astrophysics Data System (ADS)

Vyhnalek, Brian E.

2017-02-01

Atmospheric turbulence has significant impairments on the operation of Free-Space Optical (FSO) communication systems, in particular temporal and spatial intensity fluctuations at the receiving aperture resulting in power surges and fades, changes in angle of arrival, spatial coherence degradation, etc. The refractive index structure parameter C 2 n is a statistical measure of the strength of turbulence in the atmosphere and is highly dependent upon vertical height. Therefore to understand atmospheric turbulence effects on vertical FSO communication links such as space-to-ground links, it is necessary to specify C 2 n profiles along the atmospheric propagation path. To avoid the limitations on the applicability of classical approaches, propagation simulation through geometrical ray tracing is applied. This is achieved by considering the atmosphere along the optical propagation path as a spatial distribution of spherical bubbles with varying relative refractive index deviations representing turbulent eddies. The relative deviations of the refractive index are statistically determined from altitude-dependent and time varying temperature fluctuations, as measured by a microwave profiling radiometer. For each representative atmosphere ray paths are analyzed using geometrical optics, which is particularly advantageous in situations of strong turbulence where there is severe wavefront distortion and discontinuity. The refractive index structure parameter is then determined as a function of height and time.

Path Profiles of Cn2 Derived from Radiometer Temperature Measurements and Geometrical Ray Tracing

NASA Technical Reports Server (NTRS)

Vyhnalek, Brian E.

2017-01-01

Atmospheric turbulence has significant impairments on the operation of Free-Space Optical (FSO) communication systems, in particular temporal and spatial intensity fluctuations at the receiving aperture resulting in power surges and fades, changes in angle of arrival, spatial coherence degradation, etc. The refractive index structure parameter Cn2 is a statistical measure of the strength of turbulence in the atmosphere and is highly dependent upon vertical height. Therefore to understand atmospheric turbulence effects on vertical FSO communication links such as space-to-ground links, it is necessary to specify Cn2 profiles along the atmospheric propagation path. To avoid the limitations on the applicability of classical approaches, propagation simulation through geometrical ray tracing is applied. This is achieved by considering the atmosphere along the optical propagation path as a spatial distribution of spherical bubbles with varying relative refractive index deviations representing turbulent eddies. The relative deviations of the refractive index are statistically determined from altitude-dependent and time-varying temperature fluctuations, as measured by a microwave profiling radiometer. For each representative atmosphere ray paths are analyzed using geometrical optics, which is particularly advantageous in situations of strong turbulence where there is severe wavefront distortion and discontinuity. The refractive index structure parameter is then determined as a function of height and time.

Minimal entropy probability paths between genome families.

PubMed

Ahlbrandt, Calvin; Benson, Gary; Casey, William

2004-05-01

We develop a metric for probability distributions with applications to biological sequence analysis. Our distance metric is obtained by minimizing a functional defined on the class of paths over probability measures on N categories. The underlying mathematical theory is connected to a constrained problem in the calculus of variations. The solution presented is a numerical solution, which approximates the true solution in a set of cases called rich paths where none of the components of the path is zero. The functional to be minimized is motivated by entropy considerations, reflecting the idea that nature might efficiently carry out mutations of genome sequences in such a way that the increase in entropy involved in transformation is as small as possible. We characterize sequences by frequency profiles or probability vectors, in the case of DNA where N is 4 and the components of the probability vector are the frequency of occurrence of each of the bases A, C, G and T. Given two probability vectors a and b, we define a distance function based as the infimum of path integrals of the entropy function H( p) over all admissible paths p(t), 0 < or = t< or =1, with p(t) a probability vector such that p(0)=a and p(1)=b. If the probability paths p(t) are parameterized as y(s) in terms of arc length s and the optimal path is smooth with arc length L, then smooth and "rich" optimal probability paths may be numerically estimated by a hybrid method of iterating Newton's method on solutions of a two point boundary value problem, with unknown distance L between the abscissas, for the Euler-Lagrange equations resulting from a multiplier rule for the constrained optimization problem together with linear regression to improve the arc length estimate L. Matlab code for these numerical methods is provided which works only for "rich" optimal probability vectors. These methods motivate a definition of an elementary distance function which is easier and faster to calculate, works on non-rich vectors, does not involve variational theory and does not involve differential equations, but is a better approximation of the minimal entropy path distance than the distance //b-a//(2). We compute minimal entropy distance matrices for examples of DNA myostatin genes and amino-acid sequences across several species. Output tree dendograms for our minimal entropy metric are compared with dendograms based on BLAST and BLAST identity scores.

Comparison Of Reaction Barriers In Energy And Free Energy For Enzyme Catalysis

NASA Astrophysics Data System (ADS)

Andrés Cisneros, G.; Yang, Weitao

Reaction paths on potential energy surfaces obtained from QM/MM calculations of enzymatic or solution reactions depend on the starting structure employed for the path calculations. The free energies associated with these paths should be more reliable for studying reaction mechanisms, because statistical averages are used. To investigate this, the role of enzyme environment fluctuations on reaction paths has been studied with an ab initio QM/MM method for the first step of the reaction catalyzed by 4-oxalocrotonate tautomerase (4OT). Four minimum energy paths (MEPs) are compared, which have been determined with two different methods. The first path (path A) has been determined with a procedure that combines the nudged elastic band (NEB) method and a second order parallel path optimizer recently developed in our group. The second path (path B) has also been determined by the combined procedure, however, the enzyme environment has been relaxed by molecular dynamics (MD) simulations. The third path (path C) has been determined with the coordinate driving (CD) method, using the enzyme environment from path B. We compare these three paths to a previously determined path (path D) determined with the CD method. In all four cases the QM/MM-FE method (Y. Zhang et al., JCP, 112, 3483) was employed to obtain the free energy barriers for all four paths. In the case of the combined procedure, the reaction path is approximated by a small number of images which are optimized to the MEP in parallel, which results in a reduced computational cost. However, this does not allow the FEP calculation on the MEP. In order to perform FEP calculations on these paths, we introduce a modification to the NEB method that enables the addition of as many extra images to the path as needed for the FEP calculations. The calculated potential energy barriers show differences in the activation barrier between the calculated paths of as much as 5.17 kcal/mol. However, the largest free energy barrier difference is 1.58 kcal/mol. These results show the importance of the inclusion of the environment fluctuation in the calculation of enzymatic activation barriers

Maximal Sensitive Dependence and the Optimal Path to Epidemic Extinction

DTIC Science & Technology

2010-01-01

1996; Elgart and Kamenev, 2004). Instead, in this article, we will employ an eikonal approximation to recast the problem in terms of an effective...a control strategy on the extinction rate can be determined by its effect on the optimal path (Dykman et al., 2008). Through the use of the eikonal ...the solution of Eqs. (6a)–(6b) in the eikonal form (Elgart and Kamenev, 2004; Doering et al., 2005; Kubo et al., 1973; Wentzell, 1976; Gang, 1987

Parallelized traveling cluster approximation to study numerically spin-fermion models on large lattices

NASA Astrophysics Data System (ADS)

Mukherjee, Anamitra; Patel, Niravkumar D.; Bishop, Chris; Dagotto, Elbio

2015-06-01

Lattice spin-fermion models are important to study correlated systems where quantum dynamics allows for a separation between slow and fast degrees of freedom. The fast degrees of freedom are treated quantum mechanically while the slow variables, generically referred to as the "spins," are treated classically. At present, exact diagonalization coupled with classical Monte Carlo (ED + MC) is extensively used to solve numerically a general class of lattice spin-fermion problems. In this common setup, the classical variables (spins) are treated via the standard MC method while the fermion problem is solved by exact diagonalization. The "traveling cluster approximation" (TCA) is a real space variant of the ED + MC method that allows to solve spin-fermion problems on lattice sizes with up to 103 sites. In this publication, we present a novel reorganization of the TCA algorithm in a manner that can be efficiently parallelized. This allows us to solve generic spin-fermion models easily on 104 lattice sites and with some effort on 105 lattice sites, representing the record lattice sizes studied for this family of models.

Quantum information processing with trapped electrons and superconducting electronics (Open Access, Publisher’s Version)

DTIC Science & Technology

2013-07-05

This content has been downloaded from IOPscience. Please scroll down to see the full text. Download details: IP Address: 198.81.129.186 This content...structures with a quadratic nonlinearity, i.e. electrodes with a quadrupolar potential. The pump for this parametric coupling process is a classical...approximation. The system operates as a parametric frequency converter, with the classical drive providing pump photons which allow coherent coupling between

My winding trail while fulfilling my love for science and family.

PubMed

Orth, Kim

2018-04-11

My winding path toward a career in science was awkward, like an adolescent finding an identity. It did not follow a classic course; it had many interruptions, complications, and challenges. It also involved a bit of luck and extremely supportive colleagues, mentors, and family, including my husband, children, and in-laws. I was inspired to tell my story here because I met a young woman interviewing in 2018 for graduate school who is growing up with the same complicated family expectations, social challenges, love for science, and desire to be a scientist as I had four decades ago. Her future is uncertain, because her chosen academic path is not encouraged by those around her. We, as a society, must find ways to encourage, promote, enable, and give strength to those who want to follow their dreams despite facing many challenges in their lives. Here are some things I learned on my career path that I hope might be helpful for others. Published under license by The American Society for Biochemistry and Molecular Biology, Inc.

Path-integral methods for analyzing the effects of fluctuations in stochastic hybrid neural networks.

PubMed

Bressloff, Paul C

2015-01-01

We consider applications of path-integral methods to the analysis of a stochastic hybrid model representing a network of synaptically coupled spiking neuronal populations. The state of each local population is described in terms of two stochastic variables, a continuous synaptic variable and a discrete activity variable. The synaptic variables evolve according to piecewise-deterministic dynamics describing, at the population level, synapses driven by spiking activity. The dynamical equations for the synaptic currents are only valid between jumps in spiking activity, and the latter are described by a jump Markov process whose transition rates depend on the synaptic variables. We assume a separation of time scales between fast spiking dynamics with time constant [Formula: see text] and slower synaptic dynamics with time constant τ. This naturally introduces a small positive parameter [Formula: see text], which can be used to develop various asymptotic expansions of the corresponding path-integral representation of the stochastic dynamics. First, we derive a variational principle for maximum-likelihood paths of escape from a metastable state (large deviations in the small noise limit [Formula: see text]). We then show how the path integral provides an efficient method for obtaining a diffusion approximation of the hybrid system for small ϵ. The resulting Langevin equation can be used to analyze the effects of fluctuations within the basin of attraction of a metastable state, that is, ignoring the effects of large deviations. We illustrate this by using the Langevin approximation to analyze the effects of intrinsic noise on pattern formation in a spatially structured hybrid network. In particular, we show how noise enlarges the parameter regime over which patterns occur, in an analogous fashion to PDEs. Finally, we carry out a [Formula: see text]-loop expansion of the path integral, and use this to derive corrections to voltage-based mean-field equations, analogous to the modified activity-based equations generated from a neural master equation.

Approximate Formula for the Vertical Asymptote of Projectile Motion in Midair

ERIC Educational Resources Information Center

Chudinov, Peter Sergey

2010-01-01

The classic problem of the motion of a point mass (projectile) thrown at an angle to the horizon is reviewed. The air drag force is taken into account with the drag factor assumed to be constant. An analytical approach is used for the investigation. An approximate formula is obtained for one of the characteristics of the motion--the vertical…

Algorithm 971: An Implementation of a Randomized Algorithm for Principal Component Analysis

PubMed Central

LI, HUAMIN; LINDERMAN, GEORGE C.; SZLAM, ARTHUR; STANTON, KELLY P.; KLUGER, YUVAL; TYGERT, MARK

2017-01-01

Recent years have witnessed intense development of randomized methods for low-rank approximation. These methods target principal component analysis and the calculation of truncated singular value decompositions. The present article presents an essentially black-box, foolproof implementation for Mathworks’ MATLAB, a popular software platform for numerical computation. As illustrated via several tests, the randomized algorithms for low-rank approximation outperform or at least match the classical deterministic techniques (such as Lanczos iterations run to convergence) in basically all respects: accuracy, computational efficiency (both speed and memory usage), ease-of-use, parallelizability, and reliability. However, the classical procedures remain the methods of choice for estimating spectral norms and are far superior for calculating the least singular values and corresponding singular vectors (or singular subspaces). PMID:28983138

Fundamental finite key limits for one-way information reconciliation in quantum key distribution

NASA Astrophysics Data System (ADS)

Tomamichel, Marco; Martinez-Mateo, Jesus; Pacher, Christoph; Elkouss, David

2017-11-01

The security of quantum key distribution protocols is guaranteed by the laws of quantum mechanics. However, a precise analysis of the security properties requires tools from both classical cryptography and information theory. Here, we employ recent results in non-asymptotic classical information theory to show that one-way information reconciliation imposes fundamental limitations on the amount of secret key that can be extracted in the finite key regime. In particular, we find that an often used approximation for the information leakage during information reconciliation is not generally valid. We propose an improved approximation that takes into account finite key effects and numerically test it against codes for two probability distributions, that we call binary-binary and binary-Gaussian, that typically appear in quantum key distribution protocols.

Total Solar Eclipse of 1999 August 11

NASA Technical Reports Server (NTRS)

Espenak, Fred; Anderson, Jay

1997-01-01

On 1999 August 11, a total eclipse of the Sun will be visible from within a narrow corridor which traverses the Eastern Hemisphere. The path of the Moon's umbral shadow begins in the Atlantic and crosses central Europe, the Middle East, and India, where it ends at sunset in the Bay of Bengal. A partial eclipse will be seen within the much broader path of the Moon's penumbral shadow, which includes northeastern North America, all of Europe, northern Africa, and the western half of Asia. Detailed predictions for this event are presented and include besselian elements, geographic coordinates of the path of totality, physical ephemeris of the umbra, topocentric limb profile corrections, local circumstances for approximately 1400 cities, maps of the eclipse path, weather prospects, the lunar limb profile, and the sky during totality. Tips and suggestions are also given on how to safely view and photograph the eclipse.

In-situ and path-averaged measurements of aerosol optical properties

NASA Astrophysics Data System (ADS)

van Binsbergen, Sven A.; Grossmann, Peter; February, Faith J.; Cohen, Leo H.; van Eijk, Alexander M. J.; Stein, Karin U.

2017-09-01

This paper compares in-situ and path-averaged measurements of the electro-optical transmission, with emphasis on aerosol effects. The in-situ sensors consisted of optical particle counters (OPC), the path-averaged data was provided by a 7-wavelength transmissometer (MSRT) and scintillometers (BLS). Data were collected at two sites: a homogeneous test site in Northern Germany, and over the inhomogeneous False Bay near Cape Town, South Africa. A retrieval algorithm was developed to infer characteristics of the aerosol size distribution (Junge approximation) from the MSRT data. A comparison of the various sensors suggests that the optical particle counters are over optimistic in their estimate of the transmission. For the homogeneous test site, in-situ and path-averaged sensors yield similar results. For the inhomogeneous test site, sensors may react differently or temporally separated to meteorological events such as a change in wind speed and/or direction.

Path Integrals for Electronic Densities, Reactivity Indices, and Localization Functions in Quantum Systems

PubMed Central

Putz, Mihai V.

2009-01-01

The density matrix theory, the ancestor of density functional theory, provides the immediate framework for Path Integral (PI) development, allowing the canonical density be extended for the many-electronic systems through the density functional closure relationship. Yet, the use of path integral formalism for electronic density prescription presents several advantages: assures the inner quantum mechanical description of the system by parameterized paths; averages the quantum fluctuations; behaves as the propagator for time-space evolution of quantum information; resembles Schrödinger equation; allows quantum statistical description of the system through partition function computing. In this framework, four levels of path integral formalism were presented: the Feynman quantum mechanical, the semiclassical, the Feynman-Kleinert effective classical, and the Fokker-Planck non-equilibrium ones. In each case the density matrix or/and the canonical density were rigorously defined and presented. The practical specializations for quantum free and harmonic motions, for statistical high and low temperature limits, the smearing justification for the Bohr’s quantum stability postulate with the paradigmatic Hydrogen atomic excursion, along the quantum chemical calculation of semiclassical electronegativity and hardness, of chemical action and Mulliken electronegativity, as well as by the Markovian generalizations of Becke-Edgecombe electronic focalization functions – all advocate for the reliability of assuming PI formalism of quantum mechanics as a versatile one, suited for analytically and/or computationally modeling of a variety of fundamental physical and chemical reactivity concepts characterizing the (density driving) many-electronic systems. PMID:20087467

Path integrals for electronic densities, reactivity indices, and localization functions in quantum systems.

PubMed

Putz, Mihai V

2009-11-10

The density matrix theory, the ancestor of density functional theory, provides the immediate framework for Path Integral (PI) development, allowing the canonical density be extended for the many-electronic systems through the density functional closure relationship. Yet, the use of path integral formalism for electronic density prescription presents several advantages: assures the inner quantum mechanical description of the system by parameterized paths; averages the quantum fluctuations; behaves as the propagator for time-space evolution of quantum information; resembles Schrödinger equation; allows quantum statistical description of the system through partition function computing. In this framework, four levels of path integral formalism were presented: the Feynman quantum mechanical, the semiclassical, the Feynman-Kleinert effective classical, and the Fokker-Planck non-equilibrium ones. In each case the density matrix or/and the canonical density were rigorously defined and presented. The practical specializations for quantum free and harmonic motions, for statistical high and low temperature limits, the smearing justification for the Bohr's quantum stability postulate with the paradigmatic Hydrogen atomic excursion, along the quantum chemical calculation of semiclassical electronegativity and hardness, of chemical action and Mulliken electronegativity, as well as by the Markovian generalizations of Becke-Edgecombe electronic focalization functions - all advocate for the reliability of assuming PI formalism of quantum mechanics as a versatile one, suited for analytically and/or computationally modeling of a variety of fundamental physical and chemical reactivity concepts characterizing the (density driving) many-electronic systems.

Using qubits to reveal quantum signatures of an oscillator

NASA Astrophysics Data System (ADS)

Agarwal, Shantanu

In this thesis, we seek to study the qubit-oscillator system with the aim to identify and quantify inherent quantum features of the oscillator. We show that the quantum signatures of the oscillator get imprinted on the dynamics of the joint system. The two key features which we explore are the quantized energy spectrum of the oscillator and the non-classicality of the oscillator's wave function. To investigate the consequences of the oscillator's discrete energy spectrum, we consider the qubit to be coupled to the oscillator through the Rabi Hamiltonian. Recent developments in fabrication technology have opened up the possibility to explore parameter regimes which were conventionally inaccessible. Motivated by these advancements, we investigate in this thesis a parameter space where the qubit frequency is much smaller than the oscillator frequency and the Rabi frequency is allowed to be an appreciable fraction of the bare frequency of the oscillator. We use the adiabatic approximation to understand the dynamics in this quasi-degenerate qubit regime. By deriving a dressed master equation, we systematically investigate the effects of the environment on the system dynamics. We develop a spectroscopic technique, using which one can probe the steady state response of the driven and damped system. The spectroscopic signal clearly reveals the quantized nature of the oscillator's energy spectrum. We extend the adiabatic approximation, earlier developed only for the single qubit case, to a scenario where multiple qubits interact with the oscillator. Using the extended adiabatic approximation, we study the collapse and revival of multi-qubit observables. We develop analytic expressions for the revival signals which are in good agreement with the numerically evaluated results. Within the quantum restriction imposed by Heisenberg's uncertainty principle, the uncertainty in the position and momentum of an oscillator is minimum and shared equally when the oscillator is prepared in a coherent state. For this reason, coherent states and states which can be thought of as a statistical mixture of coherent states are categorized as classical; whereas states which are not valid coherent state mixtures are classified as non-classical. In this thesis, we propose a new non-classicality witness operation which does not require a tomography of the oscillator's state. We show that by coupling a qubit longitudinally to the oscillator, one can infer about the non-classical nature of the initial state of the oscillator. Using a qubit observable, we derive a non-classicality witness inequality, a violation of which definitively indicates the non-classical nature of an oscillator's state.

Resistivity scaling due to electron surface scattering in thin metal layers

NASA Astrophysics Data System (ADS)

Zhou, Tianji; Gall, Daniel

2018-04-01

The effect of electron surface scattering on the thickness-dependent electrical resistivity ρ of thin metal layers is investigated using nonequilibrium Green's function density functional transport simulations. Cu(001) thin films with thickness d =1 -2 nm are used as a model system, employing a random one-monolayer-high surface roughness and frozen phonons to cause surface and bulk scattering, respectively. The zero-temperature resistivity increases from 9.7 ±1.0 μ Ω cm at d =1.99 nm to 18.7 ±2.6 μ Ω cm at d =0.9 0 nm, contradicting the asymptotic T =0 prediction from the classical Fuchs-Sondheimer model. At T =9 00 K, ρ =5.8 ±0.1 μ Ω cm for bulk Cu and ρ =13.4 ±1.1 and 22.5 ±2.4 μ Ω cm for layers with d =1.99 and 0.90 nm, respectively, indicating an approximately additive phonon contribution which, however, is smaller than for bulk Cu or atomically smooth layers. The overall data indicate that the resistivity contribution from surface scattering is temperature-independent and proportional to 1 /d , suggesting that it can be described using a surface-scattering mean-free path λs for 2D transport which is channel-independent and proportional to d . Data fitting indicates λs=4 ×d for the particular simulated Cu(001) surfaces with a one-monolayer-high surface roughness. The 1 /d dependence deviates considerably from previous 1 /d2 predictions from quantum models, indicating that the small-roughness approximation in these models is not applicable to very thin (<2 nm) layers, where the surface roughness is a considerable fraction of d .

Scattering of magnetized electrons at the boundary of low temperature plasmas

NASA Astrophysics Data System (ADS)

Krüger, Dennis; Trieschmann, Jan; Brinkmann, Ralf Peter

2018-02-01

Magnetized technological plasmas with magnetic fields of 10-200 mT, plasma densities of 1017-1019 m-3, gas pressures of less than 1 Pa, and electron energies from a few to (at most) a few hundred electron volts are characterized by electron Larmor radii r L, that are small compared to all other length scales of the system, including the spatial scale L of the magnetic field and the collisional mean free path λ. In this regime, the classical drift approximation applies. In the boundary sheath of these discharges, however, that approximation breaks down: The sheath penetration depth of electrons (a few to some ten Debye length λ D; depending on the kinetic energy; typically much smaller than the sheath thickness of tens/hundreds of λ D) is even smaller than r L. For a model description of the electron dynamics, an appropriate boundary condition for the plasma/sheath interface is required. To develop such, the interaction of magnetized electrons with the boundary sheath is investigated using a 3D kinetic single electron model that sets the larger scales L and λ to infinity, i.e. neglects magnetic field gradients, the electric field in the bulk, and collisions. A detailed comparison of the interaction for a Bohm sheath (which assumes a finite Debye length) and a hard wall model (representing the limit {λ }{{D}}\\to 0; also called the specular reflection model) is conducted. Both models are found to be in remarkable agreement with respect to the sheath-induced drift. It is concluded that the assumption of specular reflection can be used as a valid boundary condition for more realistic kinetic models of magnetized technological plasmas.

Mean-trajectory approximation for electronic and vibrational-electronic nonlinear spectroscopy

NASA Astrophysics Data System (ADS)

Loring, Roger F.

2017-04-01

Mean-trajectory approximations permit the calculation of nonlinear vibrational spectra from semiclassically quantized trajectories on a single electronically adiabatic potential surface. By describing electronic degrees of freedom with classical phase-space variables and subjecting these to semiclassical quantization, mean-trajectory approximations may be extended to compute both nonlinear electronic spectra and vibrational-electronic spectra. A general mean-trajectory approximation for both electronic and nuclear degrees of freedom is presented, and the results for purely electronic and for vibrational-electronic four-wave mixing experiments are quantitatively assessed for harmonic surfaces with linear electronic-nuclear coupling.

Effects of Corrugated Temperature Sheets on Optical Propagation along Quasi-Horizontal Paths in the Stably Stratified Atmosphere

DTIC Science & Technology

2015-12-11

diameter) are consistent with theoretical predictions based on Taylor’s frozen- turbulence hypothesis and the geometrical - optics approximation. Short...theoretical predictions based on Taylor’s frozen- turbulence hypothesis and the geometrical - optics approximation. Short-term (less than a few seconds... turbulent , quasi-horizontal interfaces, or “sheets”. Collocated in- situ and optical field measurements conducted in the atmospheric surface layer

Comparison Between Path Lengths Traveled by Solar Electrons and Ions in Ground-Level Enhancement Events

NASA Technical Reports Server (NTRS)

Tan, Lun C.; Malandraki, Olga E.; Reames, Donald; NG, Chee K.; Wang, Linghua; Patsou, Ioanna; Papaioannou, Athanasios

2013-01-01

We have examined the Wind/3DP/SST electron and Wind/EPACT/LEMT ion data to investigate the path length difference between solar electrons and ions in the ground-level enhancement (GLE) events in solar cycle 23. Assuming that the onset time of metric type II or decameter-hectometric (DH) type III radio bursts is the solar release time of non-relativistic electrons, we have found that within an error range of plus or minus 10% the deduced path length of low-energy (approximately 27 keV) electrons from their release site near the Sun to the 1 AU observer is consistent with the ion path length deduced by Reames from the onset time analysis. In addition, the solar longitude distribution and IMF topology of the GLE events examined are in favor of the coronal mass ejection-driven shock acceleration origin of observed non-relativistic electrons.We have also found an increase of electron path lengths with increasing electron energies. The increasing rate of path lengths is correlated with the pitch angle distribution (PAD) of peak electron intensities locally measured, with a higher rate corresponding to a broader PAD. The correlation indicates that the path length enhancement is due to the interplanetary scattering experienced by first arriving electrons. The observed path length consistency implies that the maximum stable time of magnetic flux tubes, along which particles transport, could reach 4.8 hr.

Algorithm for lens calculations in the geometrized Maxwell theory

NASA Astrophysics Data System (ADS)

Kulyabov, Dmitry S.; Korolkova, Anna V.; Sevastianov, Leonid A.; Gevorkyan, Migran N.; Demidova, Anastasia V.

2018-04-01

Nowadays the geometric approach in optics is often used to find out media parameters based on propagation paths of the rays because in this case it is a direct problem. However inverse problem in the framework of geometrized optics is usually not given attention. The aim of this work is to demonstrate the work of the proposed the algorithm in the framework of geometrized approach to optics for solving the problem of finding the propagation path of the electromagnetic radiation depending on environmental parameters. The methods of differential geometry are used for effective metrics construction for isotropic and anisotropic media. For effective metric space ray trajectories are obtained in the form of geodesic curves. The introduced algorithm is applied to well-known objects, Maxwell and Luneburg lenses. The similarity of results obtained by classical and geometric approach is demonstrated.

Use of partial least squares regression for the multivariate calibration of hazardous air pollutants in open-path FT-IR spectrometry

NASA Astrophysics Data System (ADS)

Hart, Brian K.; Griffiths, Peter R.

1998-06-01

Partial least squares (PLS) regression has been evaluated as a robust calibration technique for over 100 hazardous air pollutants (HAPs) measured by open path Fourier transform infrared (OP/FT-IR) spectrometry. PLS has the advantage over the current recommended calibration method of classical least squares (CLS), in that it can look at the whole useable spectrum (700-1300 cm-1, 2000-2150 cm-1, and 2400-3000 cm-1), and detect several analytes simultaneously. Up to one hundred HAPs synthetically added to OP/FT-IR backgrounds have been simultaneously calibrated and detected using PLS. PLS also has the advantage in requiring less preprocessing of spectra than that which is required in CLS calibration schemes, allowing PLS to provide user independent real-time analysis of OP/FT-IR spectra.

Quantum Theory of Wormholes

NASA Astrophysics Data System (ADS)

González-Díaz, Pedro F.

We re-explore the effects of multiply-connected wormholes on ordinary matter at low energies. It is obtained that the path integral that describes these effects is given in terms of a Planckian probability distribution for the Coleman α-parameters, rather than a classical Gaussian distribution law. This implies that the path integral over all low-energy fields with the wormhole effective interactions can no longer vary continuously, and that the quantities α2 are interpretable as the momenta of a quantum field. Using the new result that, rather than being given in terms of the Coleman-Hawking probability, the Euclidean action must equal negative entropy, the model predicts a very small but still nonzero cosmological constant and quite reasonable values for the pion and neutrino masses. The divergence problems of Euclidean quantum gravity are also discussed in the light of the above results.

A mobile system for active otpical pollution monitoring

NASA Technical Reports Server (NTRS)

Sunesson, A.; Edner, H.; Svanberg, S.; Uneus, L.; Wendt, W.; Fredriksson, K.

1986-01-01

The remote monitoring of atmospheric pollutants can now be performed in several ways. Laser radar techniques have proven their ability to reveal the spatial distribution of different species or particles. Classical optical techniques can also be used, but yield the average concentration over a given path and hence no range resolution. One such technique is Differential Optical Absorption Spectroscopy, DOAS. Such schemes can be used to monitor paths that a preliminary lidar investigation has shown to be of interest. Having previously had access to a mobile lidar system, a new system has been completed. The construction builds on experience from using the other system and it is meant to be more of a mobile optical laboratory than just a lidar system. A complete system description is given along with some preliminary usage. Future uses are contemplated.

Phase-field modeling of fracture in variably saturated porous media

NASA Astrophysics Data System (ADS)

Cajuhi, T.; Sanavia, L.; De Lorenzis, L.

2018-03-01

We propose a mechanical and computational model to describe the coupled problem of poromechanics and cracking in variably saturated porous media. A classical poromechanical formulation is adopted and coupled with a phase-field formulation for the fracture problem. The latter has the advantage of being able to reproduce arbitrarily complex crack paths without introducing discontinuities on a fixed mesh. The obtained simulation results show good qualitative agreement with desiccation experiments on soils from the literature.

Holistic Integrative Analysis of International Change: A Commentary on Teaching Emergent Futures (Proteus Monograph Series. Volume 1, Issue 3)

DTIC Science & Technology

2008-01-01

especially by comparing the late nineteenth century holistic sociology tradition of Max Weber, Emile Durkheim , and others to the single disciplinary...this developmentally, as Max Weber, Emile Durkheim (1973), and others previously quoted, have said, and also emergently as societal paths, as Hayek...Art of War: Sun Tzu. Boston: Shambhala. Classics. Drucker, Peter. “Management’s New Paradigms.” Forbes. October 5th, 1998: 152-162. Durkheim , Emile

Quantum Gibbs ensemble Monte Carlo

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

Fantoni, Riccardo, E-mail: rfantoni@ts.infn.it; Moroni, Saverio, E-mail: moroni@democritos.it

We present a path integral Monte Carlo method which is the full quantum analogue of the Gibbs ensemble Monte Carlo method of Panagiotopoulos to study the gas-liquid coexistence line of a classical fluid. Unlike previous extensions of Gibbs ensemble Monte Carlo to include quantum effects, our scheme is viable even for systems with strong quantum delocalization in the degenerate regime of temperature. This is demonstrated by an illustrative application to the gas-superfluid transition of {sup 4}He in two dimensions.

Conditions for Aeronomic Applicability of the Classical Electron Heat Conduction Formula

NASA Technical Reports Server (NTRS)

Cole, K. D.; Hoegy, W. R.

1998-01-01

Conditions for the applicability of the classical formula for heat conduction in the electrons in ionized gas are investigated. In a fully ionised gas ( V(sub en) much greater than V(sub ei)), when the mean free path for electron-electron (or electron-ion) collisions is much larger than the characteristic thermal scale length of the observed system, the conditions for applicability break down. In the case of the Venus ionosphere this breakdown is indicated for a large fraction of the electron temperature data from altitudes greater than 180 km, for electron densities less than 10(exp 4)/cc cm. In a partially ionised gas such that V(sub en) much greater than V(sub ei) there is breakdown of the formula not only when the mean free path of electrons greatly exceeds the thermal scale length, but also when the gradient of neutral particle density exceeds the electron thermal gradient. It is shown that electron heat conduction may be neglected in estimating the temperature of joule heated electrons by observed strong 100 Hz electric fields when the conduction flux is limited by the saturation flux. The results of this paper support our earlier aeronomical arguments against the hypothesis of planetary scale whistlers for the 100 Hz electric field signal. In turn this means that data from the 100 Hz signal may not be used to support the case for lightning on Venus.

A computationally efficient Bayesian sequential simulation approach for the assimilation of vast and diverse hydrogeophysical datasets

NASA Astrophysics Data System (ADS)

Nussbaumer, Raphaël; Gloaguen, Erwan; Mariéthoz, Grégoire; Holliger, Klaus

2016-04-01

Bayesian sequential simulation (BSS) is a powerful geostatistical technique, which notably has shown significant potential for the assimilation of datasets that are diverse with regard to the spatial resolution and their relationship. However, these types of applications of BSS require a large number of realizations to adequately explore the solution space and to assess the corresponding uncertainties. Moreover, such simulations generally need to be performed on very fine grids in order to adequately exploit the technique's potential for characterizing heterogeneous environments. Correspondingly, the computational cost of BSS algorithms in their classical form is very high, which so far has limited an effective application of this method to large models and/or vast datasets. In this context, it is also important to note that the inherent assumption regarding the independence of the considered datasets is generally regarded as being too strong in the context of sequential simulation. To alleviate these problems, we have revisited the classical implementation of BSS and incorporated two key features to increase the computational efficiency. The first feature is a combined quadrant spiral - superblock search, which targets run-time savings on large grids and adds flexibility with regard to the selection of neighboring points using equal directional sampling and treating hard data and previously simulated points separately. The second feature is a constant path of simulation, which enhances the efficiency for multiple realizations. We have also modified the aggregation operator to be more flexible with regard to the assumption of independence of the considered datasets. This is achieved through log-linear pooling, which essentially allows for attributing weights to the various data components. Finally, a multi-grid simulating path was created to enforce large-scale variance and to allow for adapting parameters, such as, for example, the log-linear weights or the type of simulation path at various scales. The newly implemented search method for kriging reduces the computational cost from an exponential dependence with regard to the grid size in the original algorithm to a linear relationship, as each neighboring search becomes independent from the grid size. For the considered examples, our results show a sevenfold reduction in run time for each additional realization when a constant simulation path is used. The traditional criticism that constant path techniques introduce a bias to the simulations was explored and our findings do indeed reveal a minor reduction in the diversity of the simulations. This bias can, however, be largely eliminated by changing the path type at different scales through the use of the multi-grid approach. Finally, we show that adapting the aggregation weight at each scale considered in our multi-grid approach allows for reproducing both the variogram and histogram, and the spatial trend of the underlying data.

Shortcuts to adiabaticity using flow fields

NASA Astrophysics Data System (ADS)

Patra, Ayoti; Jarzynski, Christopher

2017-12-01

A shortcut to adiabaticity is a recipe for generating adiabatic evolution at an arbitrary pace. Shortcuts have been developed for quantum, classical and (most recently) stochastic dynamics. A shortcut might involve a counterdiabatic (CD) Hamiltonian that causes a system to follow the adiabatic evolution at all times, or it might utilize a fast-forward (FF) potential, which returns the system to the adiabatic path at the end of the process. We develop a general framework for constructing shortcuts to adiabaticity from flow fields that describe the desired adiabatic evolution. Our approach encompasses quantum, classical and stochastic dynamics, and provides surprisingly compact expressions for both CD Hamiltonians and FF potentials. We illustrate our method with numerical simulations of a model system, and we compare our shortcuts with previously obtained results. We also consider the semiclassical connections between our quantum and classical shortcuts. Our method, like the FF approach developed by previous authors, is susceptible to singularities when applied to excited states of quantum systems; we propose a simple, intuitive criterion for determining whether these singularities will arise, for a given excited state.

Complete description of the optical path difference of a novel spectral zooming imaging spectrometer

NASA Astrophysics Data System (ADS)

Li, Jie; Wu, Haiying; Qi, Chun

2018-03-01

A complete description of the optical path difference of a novel spectral zooming imaging spectrometer (SZIS) is presented. SZIS is designed based on two identical Wollaston prisms with an adjustable air gap. Thus, interferogram with arbitrary spectral resolution and great reduction of spectral image size can be conveniently formed to adapt to different application requirements. Ray tracing modeling in arbitrary incidence with a quasi-parallel-plate approximation scheme is proposed to analyze the optical path difference of SZIS. In order to know the characteristics of the apparatus, exact calculations of the corresponding spectral resolution and field of view are both derived and analyzed in detail. We also present a comparison of calculation and experiment to prove the validity of the theory.

Asymptotics of quasi-classical localized states in 2D system of charged hard-core bosons

NASA Astrophysics Data System (ADS)

Panov, Yu. D.; Moskvin, A. S.

2018-05-01

The continuous quasi-classical two-sublattice approximation is constructed for the 2D system of charged hard-core bosons to explore metastable inhomogeneous states analogous to inhomogeneous localized excitations in magnetic systems. The types of localized excitations are determined by asymptotic analysis and compared with numerical results. Depending on the homogeneous ground state, the excitations are the ferro and antiferro type vortices, the skyrmion-like topological excitations or linear domain walls.

Power-law distributions for a trapped ion interacting with a classical buffer gas.

PubMed

DeVoe, Ralph G

2009-02-13

Classical collisions with an ideal gas generate non-Maxwellian distribution functions for a single ion in a radio frequency ion trap. The distributions have power-law tails whose exponent depends on the ratio of buffer gas to ion mass. This provides a statistical explanation for the previously observed transition from cooling to heating. Monte Carlo results approximate a Tsallis distribution over a wide range of parameters and have ab initio agreement with experiment.

From correspondence to complementarity: The emergence of Bohr's Copenhagen interpretation of quantum mechanics

NASA Astrophysics Data System (ADS)

Tanona, Scott Daniel

I develop a new analysis of Niels Bohr's Copenhagen interpretation of quantum mechanics by examining the development of his views from his earlier use of the correspondence principle in the so-called 'old quantum theory' to his articulation of the idea of complementarity in the context of the novel mathematical formalism of quantum mechanics. I argue that Bohr was motivated not by controversial and perhaps dispensable epistemological ideas---positivism or neo-Kantianism, for example---but by his own unique perspective on the difficulties of creating a new working physics of the internal structure of the atom. Bohr's use of the correspondence principle in the old quantum theory was associated with an empirical methodology that used this principle as an epistemological bridge to connect empirical phenomena with quantum models. The application of the correspondence principle required that one determine the validity of the idealizations and approximations necessary for the judicious use of classical physics within quantum theory. Bohr's interpretation of the new quantum mechanics then focused on the largely unexamined ways in which the developing abstract mathematical formalism is given empirical content by precisely this process of approximation. Significant consistency between his later interpretive framework and his forms of argument with the correspondence principle indicate that complementarity is best understood as a relationship among the various approximations and idealizations that must be made when one connects otherwise meaningless quantum mechanical symbols to empirical situations or 'experimental arrangements' described using concepts from classical physics. We discover that this relationship is unavoidable not through any sort of a priori analysis of the priority of classical concepts, but because quantum mechanics incorporates the correspondence approach in the way in which it represents quantum properties with matrices of transition probabilities, the empirical meaning of which depend on the situation but in general are tied to the correspondence connection to the spectra. For Bohr, it is then the commutation relations, which arise from the formalism, which inform us of the complementary nature of this approximate representation of quantum properties via the classical equations through which we connect them to experiments.

Option pricing, stochastic volatility, singular dynamics and constrained path integrals

NASA Astrophysics Data System (ADS)

Contreras, Mauricio; Hojman, Sergio A.

2014-01-01

Stochastic volatility models have been widely studied and used in the financial world. The Heston model (Heston, 1993) [7] is one of the best known models to deal with this issue. These stochastic volatility models are characterized by the fact that they explicitly depend on a correlation parameter ρ which relates the two Brownian motions that drive the stochastic dynamics associated to the volatility and the underlying asset. Solutions to the Heston model in the context of option pricing, using a path integral approach, are found in Lemmens et al. (2008) [21] while in Baaquie (2007,1997) [12,13] propagators for different stochastic volatility models are constructed. In all previous cases, the propagator is not defined for extreme cases ρ=±1. It is therefore necessary to obtain a solution for these extreme cases and also to understand the origin of the divergence of the propagator. In this paper we study in detail a general class of stochastic volatility models for extreme values ρ=±1 and show that in these two cases, the associated classical dynamics corresponds to a system with second class constraints, which must be dealt with using Dirac’s method for constrained systems (Dirac, 1958,1967) [22,23] in order to properly obtain the propagator in the form of a Euclidean Hamiltonian path integral (Henneaux and Teitelboim, 1992) [25]. After integrating over momenta, one gets an Euclidean Lagrangian path integral without constraints, which in the case of the Heston model corresponds to a path integral of a repulsive radial harmonic oscillator. In all the cases studied, the price of the underlying asset is completely determined by one of the second class constraints in terms of volatility and plays no active role in the path integral.

Canal–Otolith Interactions and Detection Thresholds of Linear and Angular Components During Curved-Path Self-Motion

PubMed Central

MacNeilage, Paul R.; Turner, Amanda H.

2010-01-01

Gravitational signals arising from the otolith organs and vertical plane rotational signals arising from the semicircular canals interact extensively for accurate estimation of tilt and inertial acceleration. Here we used a classical signal detection paradigm to examine perceptual interactions between otolith and horizontal semicircular canal signals during simultaneous rotation and translation on a curved path. In a rotation detection experiment, blindfolded subjects were asked to detect the presence of angular motion in blocks where half of the trials were pure nasooccipital translation and half were simultaneous translation and yaw rotation (curved-path motion). In separate, translation detection experiments, subjects were also asked to detect either the presence or the absence of nasooccipital linear motion in blocks, in which half of the trials were pure yaw rotation and half were curved path. Rotation thresholds increased slightly, but not significantly, with concurrent linear velocity magnitude. Yaw rotation detection threshold, averaged across all conditions, was 1.45 ± 0.81°/s (3.49 ± 1.95°/s2). Translation thresholds, on the other hand, increased significantly with increasing magnitude of concurrent angular velocity. Absolute nasooccipital translation detection threshold, averaged across all conditions, was 2.93 ± 2.10 cm/s (7.07 ± 5.05 cm/s2). These findings suggest that conscious perception might not have independent access to separate estimates of linear and angular movement parameters during curved-path motion. Estimates of linear (and perhaps angular) components might instead rely on integrated information from canals and otoliths. Such interaction may underlie previously reported perceptual errors during curved-path motion and may originate from mechanisms that are specialized for tilt-translation processing during vertical plane rotation. PMID:20554843

Classical and special relativity in four steps

NASA Astrophysics Data System (ADS)

Browne, K. M.

2018-03-01

The most fundamental and pedagogically useful path to the space-time transformations of both classical and special relativity is to postulate the principle of relativity, derive the generalised or Ignatowsky transformation which contains both, then apply two different second postulates that give either the Galilean or Lorentz transformation. What is new here is (a) a simple two-step derivation of the Ignatowsky transformation, (b) a second postulate of universal time which yields the Galilean transformation, and (c) a different second postulate of finite universal lightspeed to give the Lorentz transformation using a simple Ignatowsky transformation of a light wave. This method demonstrates that the fundamental difference between Galilean and Lorentz transformations is not that lightspeed is universal (which is true for both) but whether the model requires lightspeed to be infinite or finite (as once mentioned by Einstein).

Shapes formed by interacting cracks

NASA Astrophysics Data System (ADS)

Daniels, Karen

2012-02-01

Brittle failure through multiple cracks occurs in a wide variety of contexts, from microscopic failures in dental enamel and cleaved silicon to geological faults and planetary ice crusts. In each of these situations, with complicated stress geometries and different microscopic mechanisms, pairwise interactions between approaching cracks nonetheless produce characteristically curved fracture paths. We investigate the origins of this widely observed ``en passant'' crack pattern by fracturing a rectangular slab which is notched on each long side and subjected to quasi-static uniaxial strain from the short side. The two cracks propagate along approximately straight paths until they pass each other, after which they curve and release a lens-shaped fragment. We find that, for materials with diverse mechanical properties, each curve has an approximately square-root shape, and that the length of each fragment is twice its width. We are able to explain the origins of this universal shape with a simple geometrical model.

Indexing and retrieving point and region objects

NASA Astrophysics Data System (ADS)

Ibrahim, Azzam T.; Fotouhi, Farshad A.

1996-03-01

R-tree and its variants are examples of spatial data structures for paged-secondary memory. To process a query, these structures require multiple path traversals. In this paper, we present a new image access method, SB+-tree which requires a single path traversal to process a query. Also, SB+-tree will allow commercial databases an access method for spatial objects without a major change, since most commercial databases already support B+-tree as an access method for text data. The SB+-tree can be used for zero and non-zero size data objects. Non-zero size objects are approximated by their minimum bounding rectangles (MBRs). The number of SB+-trees generated is dependent upon the number of dimensions of the approximation of the object. The structure supports efficient spatial operations such as regions-overlap, distance and direction. In this paper, we experimentally and analytically demonstrate the superiority of SB+-tree over R-tree.

Critical properties of the classical XY and classical Heisenberg models: A renormalization group study

NASA Astrophysics Data System (ADS)

de Sousa, J. Ricardo; de Albuquerque, Douglas F.

1997-02-01

By using two approaches of renormalization group (RG), mean field RG (MFRG) and effective field RG (EFRG), we study the critical properties of the simple cubic lattice classical XY and classical Heisenberg models. The methods are illustrated by employing its simplest approximation version in which small clusters with one ( N‧ = 1) and two ( N = 2) spins are used. The thermal and magnetic critical exponents, Yt and Yh, and the critical parameter Kc are numerically obtained and are compared with more accurate methods (Monte Carlo, series expansion and ε-expansion). The results presented in this work are in excellent agreement with these sophisticated methods. We have also shown that the exponent Yh does not depend on the symmetry n of the Hamiltonian, hence the criteria of universality for this exponent is only a function of the dimension d.

Fundamentals and Recent Developments in Approximate Bayesian Computation

PubMed Central

Lintusaari, Jarno; Gutmann, Michael U.; Dutta, Ritabrata; Kaski, Samuel; Corander, Jukka

2017-01-01

Abstract Bayesian inference plays an important role in phylogenetics, evolutionary biology, and in many other branches of science. It provides a principled framework for dealing with uncertainty and quantifying how it changes in the light of new evidence. For many complex models and inference problems, however, only approximate quantitative answers are obtainable. Approximate Bayesian computation (ABC) refers to a family of algorithms for approximate inference that makes a minimal set of assumptions by only requiring that sampling from a model is possible. We explain here the fundamentals of ABC, review the classical algorithms, and highlight recent developments. [ABC; approximate Bayesian computation; Bayesian inference; likelihood-free inference; phylogenetics; simulator-based models; stochastic simulation models; tree-based models.] PMID:28175922

Designing quantum information processing via structural physical approximation.

PubMed

Bae, Joonwoo

2017-10-01

In quantum information processing it may be possible to have efficient computation and secure communication beyond the limitations of classical systems. In a fundamental point of view, however, evolution of quantum systems by the laws of quantum mechanics is more restrictive than classical systems, identified to a specific form of dynamics, that is, unitary transformations and, consequently, positive and completely positive maps to subsystems. This also characterizes classes of disallowed transformations on quantum systems, among which positive but not completely maps are of particular interest as they characterize entangled states, a general resource in quantum information processing. Structural physical approximation offers a systematic way of approximating those non-physical maps, positive but not completely positive maps, with quantum channels. Since it has been proposed as a method of detecting entangled states, it has stimulated fundamental problems on classifications of positive maps and the structure of Hermitian operators and quantum states, as well as on quantum measurement such as quantum design in quantum information theory. It has developed efficient and feasible methods of directly detecting entangled states in practice, for which proof-of-principle experimental demonstrations have also been performed with photonic qubit states. Here, we present a comprehensive review on quantum information processing with structural physical approximations and the related progress. The review mainly focuses on properties of structural physical approximations and their applications toward practical information applications.

Designing quantum information processing via structural physical approximation

NASA Astrophysics Data System (ADS)

Bae, Joonwoo

2017-10-01

In quantum information processing it may be possible to have efficient computation and secure communication beyond the limitations of classical systems. In a fundamental point of view, however, evolution of quantum systems by the laws of quantum mechanics is more restrictive than classical systems, identified to a specific form of dynamics, that is, unitary transformations and, consequently, positive and completely positive maps to subsystems. This also characterizes classes of disallowed transformations on quantum systems, among which positive but not completely maps are of particular interest as they characterize entangled states, a general resource in quantum information processing. Structural physical approximation offers a systematic way of approximating those non-physical maps, positive but not completely positive maps, with quantum channels. Since it has been proposed as a method of detecting entangled states, it has stimulated fundamental problems on classifications of positive maps and the structure of Hermitian operators and quantum states, as well as on quantum measurement such as quantum design in quantum information theory. It has developed efficient and feasible methods of directly detecting entangled states in practice, for which proof-of-principle experimental demonstrations have also been performed with photonic qubit states. Here, we present a comprehensive review on quantum information processing with structural physical approximations and the related progress. The review mainly focuses on properties of structural physical approximations and their applications toward practical information applications.

Blip decomposition of the path integral: exponential acceleration of real-time calculations on quantum dissipative systems.

PubMed

Makri, Nancy

2014-10-07

The real-time path integral representation of the reduced density matrix for a discrete system in contact with a dissipative medium is rewritten in terms of the number of blips, i.e., elementary time intervals over which the forward and backward paths are not identical. For a given set of blips, it is shown that the path sum with respect to the coordinates of all remaining time points is isomorphic to that for the wavefunction of a system subject to an external driving term and thus can be summed by an inexpensive iterative procedure. This exact decomposition reduces the number of terms by a factor that increases exponentially with propagation time. Further, under conditions (moderately high temperature and/or dissipation strength) that lead primarily to incoherent dynamics, the "fully incoherent limit" zero-blip term of the series provides a reasonable approximation to the dynamics, and the blip series converges rapidly to the exact result. Retention of only the blips required for satisfactory convergence leads to speedup of full-memory path integral calculations by many orders of magnitude.

Stochastic Evolutionary Algorithms for Planning Robot Paths

NASA Technical Reports Server (NTRS)

Fink, Wolfgang; Aghazarian, Hrand; Huntsberger, Terrance; Terrile, Richard

2006-01-01

A computer program implements stochastic evolutionary algorithms for planning and optimizing collision-free paths for robots and their jointed limbs. Stochastic evolutionary algorithms can be made to produce acceptably close approximations to exact, optimal solutions for path-planning problems while often demanding much less computation than do exhaustive-search and deterministic inverse-kinematics algorithms that have been used previously for this purpose. Hence, the present software is better suited for application aboard robots having limited computing capabilities (see figure). The stochastic aspect lies in the use of simulated annealing to (1) prevent trapping of an optimization algorithm in local minima of an energy-like error measure by which the fitness of a trial solution is evaluated while (2) ensuring that the entire multidimensional configuration and parameter space of the path-planning problem is sampled efficiently with respect to both robot joint angles and computation time. Simulated annealing is an established technique for avoiding local minima in multidimensional optimization problems, but has not, until now, been applied to planning collision-free robot paths by use of low-power computers.

Column Number Density Expressions Through M = 0 and M = 1 Point Source Plumes Along Any Straight Path

NASA Technical Reports Server (NTRS)

Woronowicz, Michael S.

2016-01-01

Analytical expressions for column number density (CND) are developed for optical line of sight paths through a variety of steady free molecule point source models including directionally-constrained effusion (Mach number M = 0) and flow from a sonic orifice (M 1). Sonic orifice solutions are approximate, developed using a fair simulacrum fitted to the free molecule solution. Expressions are also developed for a spherically-symmetric thermal expansion (M = 0). CND solutions are found for the most general paths relative to these sources and briefly explored. It is determined that the maximum CND from a distant location through directed effusion and sonic orifice cases occurs along the path parallel to the source plane that intersects the plume axis. For the effusive case this value is exactly twice the CND found along the ray originating from that point of intersection and extending to infinity along the plumes axis. For sonic plumes this ratio is reduced to about 43. For high Mach number cases the maximum CND will be found along the axial centerline path.

Generalized quantum theory of recollapsing homogeneous cosmologies

NASA Astrophysics Data System (ADS)

Craig, David; Hartle, James B.

2004-06-01

A sum-over-histories generalized quantum theory is developed for homogeneous minisuperspace type A Bianchi cosmological models, focusing on the particular example of the classically recollapsing Bianchi type-IX universe. The decoherence functional for such universes is exhibited. We show how the probabilities of decoherent sets of alternative, coarse-grained histories of these model universes can be calculated. We consider in particular the probabilities for classical evolution defined by a suitable coarse graining. For a restricted class of initial conditions and coarse grainings we exhibit the approximate decoherence of alternative histories in which the universe behaves classically and those in which it does not. For these situations we show that the probability is near unity for the universe to recontract classically if it expands classically. We also determine the relative probabilities of quasiclassical trajectories for initial states of WKB form, recovering for such states a precise form of the familiar heuristic “JṡdΣ” rule of quantum cosmology, as well as a generalization of this rule to generic initial states.

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

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.

Damage and mortality assessment of redwood and mixed conifer forest types in Santa Cruz County following wildfire

Treesearch

Steve R. Auten; Nadia Hamey

2012-01-01

On August 12, 2009, the Lockheed Fire ignited the west slope of the Santa Cruz Mountains burning approximately 7,819 acres. A mixture of vegetation types were in the path of the fire, including approximately 2,420 acres of redwood forest and 1,951 acres of mixed conifer forest types representative of the Santa Cruz Mountains. Foresters and land managers were left with...

Mutual capture of dipolar molecules at low and very low energies. I. Approximate analytical treatment.

PubMed

Nikitin, E E; Troe, J

2010-09-16

Approximate analytical expressions are derived for the low-energy rate coefficients of capture of two identical dipolar polarizable rigid rotors in their lowest nonresonant (j(1) = 0 and j(2) = 0) and resonant (j(1) = 0,1 and j(2) = 1,0) states. The considered range extends from the quantum, ultralow energy regime, characterized by s-wave capture, to the classical regime described within fly wheel and adiabatic channel approaches, respectively. This is illustrated by the table of contents graphic (available on the Web) that shows the scaled rate coefficients for the mutual capture of rotors in the resonant state versus the reduced wave vector between the Bethe zero-energy (left arrows) and classical high-energy (right arrow) limits for different ratios δ of the dipole-dipole to dispersion interaction.

Investigation of the residue in an electric rail gun employing a plasma armature

NASA Technical Reports Server (NTRS)

Bauer, D. P.; Barber, J. P.

1984-01-01

The performance of dc electric rail guns using plasma-armature-accelerated projectiles was studied. It was found that the initial rail launcher acceleration profile was consistent with the simulation, but that after the projectile had traveled approximately 25 to 30 cm along the gun, a considerable portion of the current in the projectile armature commutated into a secondary current path. Also noted were the lower than expected muzzle velocities. It was proposed that the secondary current path was a relatively high conductivity layer of residue on the launcher bore.

Cubature on Wiener Space: Pathwise Convergence

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

Bayer, Christian, E-mail: christian.bayer@wias-berlin.de; Friz, Peter K., E-mail: friz@math.tu-berlin.de

2013-04-15

Cubature on Wiener space (Lyons and Victoir in Proc. R. Soc. Lond. A 460(2041):169-198, 2004) provides a powerful alternative to Monte Carlo simulation for the integration of certain functionals on Wiener space. More specifically, and in the language of mathematical finance, cubature allows for fast computation of European option prices in generic diffusion models.We give a random walk interpretation of cubature and similar (e.g. the Ninomiya-Victoir) weak approximation schemes. By using rough path analysis, we are able to establish weak convergence for general path-dependent option prices.

A New Interferometer for Monitoring Atmospheric Phase Fluctuations

NASA Technical Reports Server (NTRS)

Lay, Oliver

2000-01-01

Water vapor in the Earth's troposphere introduces an extra electrical path in the propagation of radio signals through the atmosphere. The distribution of water vapor is irregular and distorts the wavefronts of incoming radio waves, limiting the angular resolution that can be achieved with ground-based telescopes. The level of fluctuations depends both on the location of the site ,and on the prevailing atmospheric conditions. The ability to measure the fluctuations is therefore important when choosing a site for a new instrument, and for scheduling observations of existing telescopes. Existing phase monitors are radio interferometers that monitor monochromatic beacon tones from geostationary communications satellites at a frequency of about 12 GHz. They have a classical heterodyne design based on two satellite receiving antennas; each has a front-end for amplifying and down-converting the incoming signals using a local oscillator that is phase-locked to a common reference frequency. In addition to multiple phase-locked loops these instruments require expensive phase-stable cabling to reduce the effects of thermal drift. The new system uses two consumer 18" digital satellite TV dishes to monitor satellite TV broadcast signals over a bandwidth of 500 MHz (12.2 to 12.7 GHz). The novel design eliminates the need for phase-locked loops and thermally stable components, and uses a pair of Gilbert Cell multipliers to perform the broadband correlation. A phase monitor has been been built and deployed at the site of the Berkeley-Illinois-Maryland Association Millimeter Array in Northern California, and has been operating successfully since June 1998, measuring the difference in electrical path length for parallel lines of sight to the satellite separated by a baseline of 100 m. With a hardware cost of approximately $4000, it is much cheaper than previous instruments, and the low power requirements and high reliability make the system suitable for site testing in remote locations.

Variable area fuel cell process channels

DOEpatents

Kothmann, Richard E.

1981-01-01

A fuel cell arrangement having a non-uniform distribution of fuel and oxidant flow paths, on opposite sides of an electrolyte matrix, sized and positioned to provide approximately uniform fuel and oxidant utilization rates, and cell conditions, across the entire cell.

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

Cabello, Adan

We introduce an extended version of a previous all-versus-nothing proof of impossibility of Einstein-Podolsky-Rosen's local elements of reality for two photons entangled both in polarization and path degrees of freedom (A. Cabello, quant-ph/0507259), which leads to a Bell's inequality where the classical bound is 8 and the quantum prediction is 16. A simple estimation of the detection efficiency required to close the detection loophole using this extended version gives {eta}>0.69. This efficiency is lower than that required for previous proposals.

Explaining the Success of Nepal Communist Party - Maoist (NCP-M): A Comparison of Maoist Insurgencies in the 21st Century

DTIC Science & Technology

2010-12-01

enjoying such success. The Shining Path of Peru started its armed struggle modeled along the Maoist doctrine in May 1980. The insurgency quickly...Maria Sison and based almost entirely on Mao’s doctrine of peasant-based mass revolution.4 The movement gathered strength with the election of...Conflicts (Philadelphia: University of Pennsylvania Press, 2007), 2. 6 classic Maoist “people’s war” doctrine , its leaders were ready to accept political

Quantum annealing of the traveling-salesman problem.

PubMed

Martonák, Roman; Santoro, Giuseppe E; Tosatti, Erio

2004-11-01

We propose a path-integral Monte Carlo quantum annealing scheme for the symmetric traveling-salesman problem, based on a highly constrained Ising-like representation, and we compare its performance against standard thermal simulated annealing. The Monte Carlo moves implemented are standard, and consist in restructuring a tour by exchanging two links (two-opt moves). The quantum annealing scheme, even with a drastically simple form of kinetic energy, appears definitely superior to the classical one, when tested on a 1002-city instance of the standard TSPLIB.

Finding paths in tree graphs with a quantum walk

NASA Astrophysics Data System (ADS)

Koch, Daniel; Hillery, Mark

2018-01-01

We analyze the potential for different types of searches using the formalism of scattering random walks on quantum computers. Given a particular type of graph consisting of nodes and connections, a "tree maze," we would like to find a selected final node as quickly as possible, faster than any classical search algorithm. We show that this can be done using a quantum random walk, both through numerical calculations as well as by using the eigenvectors and eigenvalues of the quantum system.

Separation of variables in anisotropic models: anisotropic Rabi and elliptic Gaudin model in an external magnetic field

NASA Astrophysics Data System (ADS)

Skrypnyk, T.

2017-08-01

We study the problem of separation of variables for classical integrable Hamiltonian systems governed by non-skew-symmetric non-dynamical so(3)\\otimes so(3) -valued elliptic r-matrices with spectral parameters. We consider several examples of such models, and perform separation of variables for classical anisotropic one- and two-spin Gaudin-type models in an external magnetic field, and for Jaynes-Cummings-Dicke-type models without the rotating wave approximation.

Refined genetic algorithm -- Economic dispatch example

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

Sheble, G.B.; Brittig, K.

1995-02-01

A genetic-based algorithm is used to solve an economic dispatch (ED) problem. The algorithm utilizes payoff information of perspective solutions to evaluate optimality. Thus, the constraints of classical LaGrangian techniques on unit curves are eliminated. Using an economic dispatch problem as a basis for comparison, several different techniques which enhance program efficiency and accuracy, such as mutation prediction, elitism, interval approximation and penalty factors, are explored. Two unique genetic algorithms are also compared. The results are verified for a sample problem using a classical technique.

Extinction Phenomena: A Biologic Perspective on How and Why Psychoanalysis Works

PubMed Central

Brakel, Linda A. W.

2011-01-01

This article presents the view that much of the success of classical psychoanalysis is centrally predicated on its biological potency; focusing not on neuropsychology, but on the biology of conditioning. The argument suggests that features of classic psychoanalytic technique – the couch, meetings several times per week with both parties present, and free association – uniquely facilitate intense transferences of various sorts, and that these in turn constitute the multiple and diverse extinction trials necessary to best approximate extinction. PMID:21927610

Calculating TMDs of a large nucleus: Quasi-classical approximation and quantum evolution

DOE PAGES

Kovchegov, Yuri V.; Sievert, Matthew D.

2015-12-24

We set up a formalism for calculating transverse-momentum-dependent parton distribution functions (TMDs) of a large nucleus using the tools of saturation physics. By generalizing the quasi-classical Glauber–Gribov–Mueller/McLerran–Venugopalan approximation to allow for the possibility of spin–orbit coupling, we show how any TMD can be calculated in the saturation framework. This can also be applied to the TMDs of a proton by modeling it as a large “nucleus.” To illustrate our technique, we calculate the quark TMDs of an unpolarized nucleus at large-x: the unpolarized quark distribution and the quark Boer–Mulders distribution. Here, we observe that spin–orbit coupling leads to mixing betweenmore » different TMDs of the nucleus and of the nucleons. We then consider the evolution of TMDs: at large-x, in the double-logarithmic approximation, we obtain the Sudakov form factor. At small-x the evolution of unpolarized-target quark TMDs is governed by BK/JIMWLK evolution, while the small-x evolution of polarized-target quark TMDs appears to be dominated by the QCD Reggeon.« less

The standard mean-field treatment of inter-particle attraction in classical DFT is better than one might expect

NASA Astrophysics Data System (ADS)

Archer, Andrew J.; Chacko, Blesson; Evans, Robert

2017-07-01

In classical density functional theory (DFT), the part of the Helmholtz free energy functional arising from attractive inter-particle interactions is often treated in a mean-field or van der Waals approximation. On the face of it, this is a somewhat crude treatment as the resulting functional generates the simple random phase approximation (RPA) for the bulk fluid pair direct correlation function. We explain why using standard mean-field DFT to describe inhomogeneous fluid structure and thermodynamics is more accurate than one might expect based on this observation. By considering the pair correlation function g(x) and structure factor S(k) of a one-dimensional model fluid, for which exact results are available, we show that the mean-field DFT, employed within the test-particle procedure, yields results much superior to those from the RPA closure of the bulk Ornstein-Zernike equation. We argue that one should not judge the quality of a DFT based solely on the approximation it generates for the bulk pair direct correlation function.

Shock ignition: a new approach to high gain inertial confinement fusion on the national ignition facility.

PubMed

Perkins, L J; Betti, R; LaFortune, K N; Williams, W H

2009-07-24

Shock ignition, an alternative concept for igniting thermonuclear fuel, is explored as a new approach to high gain, inertial confinement fusion targets for the National Ignition Facility (NIF). Results indicate thermonuclear yields of approximately 120-250 MJ may be possible with laser drive energies of 1-1.6 MJ, while gains of approximately 50 may still be achievable at only approximately 0.2 MJ drive energy. The scaling of NIF energy gain with laser energy is found to be G approximately 126E (MJ);{0.510}. This offers the potential for high-gain targets that may lead to smaller, more economic fusion power reactors and a cheaper fusion energy development path.

Quantization of simple parametrized systems

NASA Astrophysics Data System (ADS)

Ruffini, G.

2005-11-01

I study the canonical formulation and quantization of some simple parametrized systems, including the non-relativistic parametrized particle and the relativistic parametrized particle. Using Dirac's formalism I construct for each case the classical reduced phase space and study the dependence on the gauge fixing used. Two separate features of these systems can make this construction difficult: the actions are not invariant at the boundaries, and the constraints may have disconnected solution spaces. The relativistic particle is affected by both, while the non-relativistic particle displays only by the first. Analyzing the role of canonical transformations in the reduced phase space, I show that a change of gauge fixing is equivalent to a canonical transformation. In the relativistic case, quantization of one branch of the constraint at the time is applied and I analyze the electromagenetic backgrounds in which it is possible to quantize simultaneously both branches and still obtain a covariant unitary quantum theory. To preserve unitarity and space-time covariance, second quantization is needed unless there is no electric field. I motivate a definition of the inner product in all these cases and derive the Klein-Gordon inner product for the relativistic case. I construct phase space path integral representations for amplitudes for the BFV and the Faddeev path integrals, from which the path integrals in coordinate space (Faddeev-Popov and geometric path integrals) are derived.

Torsion of a Cosserat elastic bar with square cross section: theory and experiment

NASA Astrophysics Data System (ADS)

Drugan, W. J.; Lakes, R. S.

2018-04-01

An approximate analytical solution for the displacement and microrotation vector fields is derived for pure torsion of a prismatic bar with square cross section comprised of homogeneous, isotropic linear Cosserat elastic material. This is accomplished by analytical simplification coupled with use of the principle of minimum potential energy together with polynomial representations for the desired field components. Explicit approximate expressions are derived for cross section warp and for applied torque versus angle of twist of the bar. These show that torsional rigidity exceeds the classical elasticity value, the difference being larger for slender bars, and that cross section warp is less than the classical amount. Experimental measurements on two sets of 3D printed square cross section polymeric bars, each set having a different microstructure and four different cross section sizes, revealed size effects not captured by classical elasticity but consistent with the present analysis for physically sensible values of the Cosserat moduli. The warp can allow inference of Cosserat elastic constants independently of any sensitivity the material may have to dilatation gradients; warp also facilitates inference of Cosserat constants that are difficult to obtain via size effects.

Approximate Quantum Dynamics using Ab Initio Classical Separable Potentials: Spectroscopic Applications.

PubMed

Hirshberg, Barak; Sagiv, Lior; Gerber, R Benny

2017-03-14

Algorithms for quantum molecular dynamics simulations that directly use ab initio methods have many potential applications. In this article, the ab initio classical separable potentials (AICSP) method is proposed as the basis for approximate algorithms of this type. The AICSP method assumes separability of the total time-dependent wave function of the nuclei and employs mean-field potentials that govern the dynamics of each degree of freedom. In the proposed approach, the mean-field potentials are determined by classical ab initio molecular dynamics simulations. The nuclear wave function can thus be propagated in time using the effective potentials generated "on the fly". As a test of the method for realistic systems, calculations of the stationary anharmonic frequencies of hydrogen stretching modes were carried out for several polyatomic systems, including three amino acids and the guanine-cytosine pair of nucleobases. Good agreement with experiments was found. The method scales very favorably with the number of vibrational modes and should be applicable for very large molecules, e.g., peptides. The method should also be applicable for properties such as vibrational line widths and line shapes. Work in these directions is underway.

ASP: Automated symbolic computation of approximate symmetries of differential equations

NASA Astrophysics Data System (ADS)

Jefferson, G. F.; Carminati, J.

2013-03-01

A recent paper (Pakdemirli et al. (2004) [12]) compared three methods of determining approximate symmetries of differential equations. Two of these methods are well known and involve either a perturbation of the classical Lie symmetry generator of the differential system (Baikov, Gazizov and Ibragimov (1988) [7], Ibragimov (1996) [6]) or a perturbation of the dependent variable/s and subsequent determination of the classical Lie point symmetries of the resulting coupled system (Fushchych and Shtelen (1989) [11]), both up to a specified order in the perturbation parameter. The third method, proposed by Pakdemirli, Yürüsoy and Dolapçi (2004) [12], simplifies the calculations required by Fushchych and Shtelen's method through the assignment of arbitrary functions to the non-linear components prior to computing symmetries. All three methods have been implemented in the new MAPLE package ASP (Automated Symmetry Package) which is an add-on to the MAPLE symmetry package DESOLVII (Vu, Jefferson and Carminati (2012) [25]). To our knowledge, this is the first computer package to automate all three methods of determining approximate symmetries for differential systems. Extensions to the theory have also been suggested for the third method and which generalise the first method to systems of differential equations. Finally, a number of approximate symmetries and corresponding solutions are compared with results in the literature.

Anomalous Thrust Production from an RF Test Device Measured on a Low-Thrust Torsion Pendulum

NASA Technical Reports Server (NTRS)

Brady, David A.; White, Harold G.; March, Paul; Lawrence, James T.; Davies, Frank J.

2014-01-01

This paper describes the test campaigns designed to investigate and demonstrate viability of using classical magnetoplasmadynamics to obtain a propulsive momentum transfer via the quantum vacuum virtual plasma. This paper will not address the physics of the quantum vacuum plasma thruster (QVPT), but instead will describe the recent test campaign. In addition, it contains a brief description of the supporting radio frequency (RF) field analysis, lessons learned, and potential applications of the technology to space exploration missions. During the first (Cannae) portion of the campaign, approximately 40 micronewtons of thrust were observed in an RF resonant cavity test article excited at approximately 935 megahertz and 28 watts. During the subsequent (tapered cavity) portion of the campaign, approximately 91 micronewtons of thrust were observed in an RF resonant cavity test article excited at approximately 1933 megahertz and 17 watts. Testing was performed on a low-thrust torsion pendulum that is capable of detecting force at a single-digit micronewton level. Test campaign results indicate that the RF resonant cavity thruster design, which is unique as an electric propulsion device, is producing a force that is not attributable to any classical electromagnetic phenomenon and therefore is potentially demonstrating an interaction with the quantum vacuum virtual plasma.

Path statistics, memory, and coarse-graining of continuous-time random walks on networks

PubMed Central

Kion-Crosby, Willow; Morozov, Alexandre V.

2015-01-01

Continuous-time random walks (CTRWs) on discrete state spaces, ranging from regular lattices to complex networks, are ubiquitous across physics, chemistry, and biology. Models with coarse-grained states (for example, those employed in studies of molecular kinetics) or spatial disorder can give rise to memory and non-exponential distributions of waiting times and first-passage statistics. However, existing methods for analyzing CTRWs on complex energy landscapes do not address these effects. Here we use statistical mechanics of the nonequilibrium path ensemble to characterize first-passage CTRWs on networks with arbitrary connectivity, energy landscape, and waiting time distributions. Our approach can be applied to calculating higher moments (beyond the mean) of path length, time, and action, as well as statistics of any conservative or non-conservative force along a path. For homogeneous networks, we derive exact relations between length and time moments, quantifying the validity of approximating a continuous-time process with its discrete-time projection. For more general models, we obtain recursion relations, reminiscent of transfer matrix and exact enumeration techniques, to efficiently calculate path statistics numerically. We have implemented our algorithm in PathMAN (Path Matrix Algorithm for Networks), a Python script that users can apply to their model of choice. We demonstrate the algorithm on a few representative examples which underscore the importance of non-exponential distributions, memory, and coarse-graining in CTRWs. PMID:26646868

A self-interfering clock as a “which path” witness

NASA Astrophysics Data System (ADS)

Margalit, Yair; Zhou, Zhifan; Machluf, Shimon; Rohrlich, Daniel; Japha, Yonathan; Folman, Ron

2015-09-01

In Einstein’s general theory of relativity, time depends locally on gravity; in standard quantum theory, time is global—all clocks “tick” uniformly. We demonstrate a new tool for investigating time in the overlap of these two theories: a self-interfering clock, comprising two atomic spin states. We prepare the clock in a spatial superposition of quantum wave packets, which evolve coherently along two paths into a stable interference pattern. If we make the clock wave packets “tick” at different rates, to simulate a gravitational time lag, the clock time along each path yields “which path” information, degrading the pattern’s visibility. In contrast, in standard interferometry, time cannot yield “which path” information. This proof-of-principle experiment may have implications for the study of time and general relativity and their impact on fundamental effects such as decoherence and the emergence of a classical world.

Path suppression of strongly collapsing bubbles at finite and low Reynolds numbers.

PubMed

Rechiman, Ludmila M; Dellavale, Damián; Bonetto, Fabián J

2013-06-01

We study, numerically and experimentally, three different methods to suppress the trajectories of strongly collapsing and sonoluminescent bubbles in a highly viscous sulfuric acid solution. A new numerical scheme based on the window method is proposed to account for the history force acting on a spherical bubble with variable radius. We could quantify the history force, which is not negligible in comparison with the primary Bjerknes force in this type of problem, and results are in agreement with the classical primary Bjerknes force trapping threshold analysis. Moreover, the present numerical implementation reproduces the spatial behavior associated with the positional and path instability of sonoluminescent argon bubbles in strongly gassed and highly degassed sulfuric acid solutions. Finally, the model allows us to demonstrate that spatially stationary bubbles driven by biharmonic excitation could be obtained with a different mode from the one used in previous reported experiments.

Photon entanglement signatures in difference-frequency-generation

PubMed Central

Roslyak, Oleksiy; Mukamel, Shaul

2010-01-01

In response to quantum optical fields, pairs of molecules generate coherent nonlinear spectroscopy signals. Homodyne signals are given by sums over terms each being a product of Liouville space pathways of the pair of molecules times the corresponding optical field correlation function. For classical fields all field correlation functions may be factorized and become identical products of field amplitudes. The signal is then given by the absolute square of a susceptibility which in turn is a sum over pathways of a single molecule. The molecular pathways of different molecules in the pair are uncorrelated in this case (each path of a given molecule can be accompanied by any path of the other). However, entangled photons create an entanglement between the molecular pathways. We use the superoperator nonequlibrium Green’s functions formalism to demonstrate the signatures of this pathway-entanglement in the difference frequency generation signal. Comparison is made with an analogous incoherent two-photon fluorescence signal. PMID:19158927

Renormalization group theory for percolation in time-varying networks.

PubMed

Karschau, Jens; Zimmerling, Marco; Friedrich, Benjamin M

2018-05-22

Motivated by multi-hop communication in unreliable wireless networks, we present a percolation theory for time-varying networks. We develop a renormalization group theory for a prototypical network on a regular grid, where individual links switch stochastically between active and inactive states. The question whether a given source node can communicate with a destination node along paths of active links is equivalent to a percolation problem. Our theory maps the temporal existence of multi-hop paths on an effective two-state Markov process. We show analytically how this Markov process converges towards a memoryless Bernoulli process as the hop distance between source and destination node increases. Our work extends classical percolation theory to the dynamic case and elucidates temporal correlations of message losses. Quantification of temporal correlations has implications for the design of wireless communication and control protocols, e.g. in cyber-physical systems such as self-organized swarms of drones or smart traffic networks.

Detecting reactive islands using Lagrangian descriptors and the relevance to transition path sampling.

PubMed

Patra, Sarbani; Keshavamurthy, Srihari

2018-02-14

It has been known for sometime now that isomerization reactions, classically, are mediated by phase space structures called reactive islands (RI). RIs provide one possible route to correct for the nonstatistical effects in the reaction dynamics. In this work, we map out the reactive islands for the two dimensional Müller-Brown model potential and show that the reactive islands are intimately linked to the issue of rare event sampling. In particular, we establish the sensitivity of the so called committor probabilities, useful quantities in the transition path sampling technique, to the hierarchical RI structures. Mapping out the RI structure for high dimensional systems, however, is a challenging task. Here, we show that the technique of Lagrangian descriptors is able to effectively identify the RI hierarchy in the model system. Based on our results, we suggest that the Lagrangian descriptors can be useful for detecting RIs in high dimensional systems.

Path Integral Metadynamics.

PubMed

Quhe, Ruge; Nava, Marco; Tiwary, Pratyush; Parrinello, Michele

2015-04-14

We develop a new efficient approach for the simulation of static properties of quantum systems using path integral molecular dynamics in combination with metadynamics. We use the isomorphism between a quantum system and a classical one in which a quantum particle is mapped into a ring polymer. A history dependent biasing potential is built as a function of the elastic energy of the isomorphic polymer. This enhances fluctuations in the shape and size of the necklace in a controllable manner and allows escaping deep energy minima in a limited computer time. In this way, we are able to sample high free energy regions and cross barriers, which would otherwise be insurmountable with unbiased methods. This substantially improves the ability of finding the global free energy minimum as well as exploring other metastable states. The performance of the new technique is demonstrated by illustrative applications on model potentials of varying complexity.

Free energy landscape from path-sampling: application to the structural transition in LJ38

NASA Astrophysics Data System (ADS)

Adjanor, G.; Athènes, M.; Calvo, F.

2006-09-01

We introduce a path-sampling scheme that allows equilibrium state-ensemble averages to be computed by means of a biased distribution of non-equilibrium paths. This non-equilibrium method is applied to the case of the 38-atom Lennard-Jones atomic cluster, which has a double-funnel energy landscape. We calculate the free energy profile along the Q4 bond orientational order parameter. At high or moderate temperature the results obtained using the non-equilibrium approach are consistent with those obtained using conventional equilibrium methods, including parallel tempering and Wang-Landau Monte Carlo simulations. At lower temperatures, the non-equilibrium approach becomes more efficient in exploring the relevant inherent structures. In particular, the free energy agrees with the predictions of the harmonic superposition approximation.

Effect of a limited-enforcement intelligent tutoring system in dermatopathology on student errors, goals and solution paths.

PubMed

Payne, Velma L; Medvedeva, Olga; Legowski, Elizabeth; Castine, Melissa; Tseytlin, Eugene; Jukic, Drazen; Crowley, Rebecca S

2009-11-01

Determine effects of a limited-enforcement intelligent tutoring system in dermatopathology on student errors, goals and solution paths. Determine if limited enforcement in a medical tutoring system inhibits students from learning the optimal and most efficient solution path. Describe the type of deviations from the optimal solution path that occur during tutoring, and how these deviations change over time. Determine if the size of the problem-space (domain scope), has an effect on learning gains when using a tutor with limited enforcement. Analyzed data mined from 44 pathology residents using SlideTutor-a Medical Intelligent Tutoring System in Dermatopathology that teaches histopathologic diagnosis and reporting skills based on commonly used diagnostic algorithms. Two subdomains were included in the study representing sub-algorithms of different sizes and complexities. Effects of the tutoring system on student errors, goal states and solution paths were determined. Students gradually increase the frequency of steps that match the tutoring system's expectation of expert performance. Frequency of errors gradually declines in all categories of error significance. Student performance frequently differs from the tutor-defined optimal path. However, as students continue to be tutored, they approach the optimal solution path. Performance in both subdomains was similar for both errors and goal differences. However, the rate at which students progress toward the optimal solution path differs between the two domains. Tutoring in superficial perivascular dermatitis, the larger and more complex domain was associated with a slower rate of approximation towards the optimal solution path. Students benefit from a limited-enforcement tutoring system that leverages diagnostic algorithms but does not prevent alternative strategies. Even with limited enforcement, students converge toward the optimal solution path.

Observations of changes in waveform character induced by the 1999 Mw7.6 Chi-Chi earthquake

USGS Publications Warehouse

Chen, K.H.; Furumura, T.; Rubinstein, J.; Rau, R.-J.

2011-01-01

We observe changes in the waveforms of repeating earthquakes in eastern Taiwan following the 1999 Mw7.6 Chi-Chi earthquake, while their recurrence intervals appear to be unaffected. There is a clear reduction in waveform similarity and velocity changes indicated by delayed phases at the time of the Chi-Chi event. These changes are limited to stations in and paths that cross the 70 × 100 km region surrounding the Chi-Chi source area, the area where seismic intensity and co-seismic surface displacements were largest. This suggests that damage at the near-surface is responsible for the observed waveform changes. Delays are largest in the late S-wave coda, reaching approximately 120 ms. This corresponds to a path averaged Swave velocity reduction of approximately 1%. There is also evidence that damage in the fault-zone caused changes in waveform character at sites in the footwall, where source-receiver paths propagate either along or across the rupture. The reduction in waveform similarity persists through the most recent repeating event in our study (November 15, 2007), indicating that the subsurface damage induced by the Chi-Chi earthquake did not fully heal within the first 8 years following the Chi-Chi earthquake.

Observations of changes in waveform character induced by the 1999 M w7.6 Chi-Chi earthquake

USGS Publications Warehouse

Chen, K.H.; Furumura, T.; Rubinstein, J.; Rau, R.-J.

2011-01-01

We observe changes in the waveforms of repeating earthquakes in eastern Taiwan following the 1999 Mw7.6 Chi-Chi earthquake, while their recurrence intervals appear to be unaffected. There is a clear reduction in waveform similarity and velocity changes indicated by delayed phases at the time of the Chi-Chi event. These changes are limited to stations in and paths that cross the 70 ?? 100 km region surrounding the Chi-Chi source area, the area where seismic intensity and co-seismic surface displacements were largest. This suggests that damage at the near-surface is responsible for the observed waveform changes. Delays are largest in the late S-wave coda, reaching approximately 120 ms. This corresponds to a path averaged S wave velocity reduction of approximately 1%. There is also evidence that damage in the fault-zone caused changes in waveform character at sites in the footwall, where source-receiver paths propagate either along or across the rupture. The reduction in waveform similarity persists through the most recent repeating event in our study (November 15, 2007), indicating that the subsurface damage induced by the Chi-Chi earthquake did not fully heal within the first 8 years following the Chi-Chi earthquake. ?? 2011 by the American Geophysical Union.

Classical electromagnetic fields from quantum sources in heavy-ion collisions

NASA Astrophysics Data System (ADS)

Holliday, Robert; McCarty, Ryan; Peroutka, Balthazar; Tuchin, Kirill

2017-01-01

Electromagnetic fields are generated in high energy nuclear collisions by spectator valence protons. These fields are traditionally computed by integrating the Maxwell equations with point sources. One might expect that such an approach is valid at distances much larger than the proton size and thus such a classical approach should work well for almost the entire interaction region in the case of heavy nuclei. We argue that, in fact, the contrary is true: due to the quantum diffusion of the proton wave function, the classical approximation breaks down at distances of the order of the system size. We compute the electromagnetic field created by a charged particle described initially as a Gaussian wave packet of width 1 fm and evolving in vacuum according to the Klein-Gordon equation. We completely neglect the medium effects. We show that the dynamics, magnitude and even sign of the electromagnetic field created by classical and quantum sources are different.

A result about scale transformation families in approximation

NASA Astrophysics Data System (ADS)

Apprato, Dominique; Gout, Christian

2000-06-01

Scale transformations are common in approximation. In surface approximation from rapidly varying data, one wants to suppress, or at least dampen the oscillations of the approximation near steep gradients implied by the data. In that case, scale transformations can be used to give some control over overshoot when the surface has large variations of its gradient. Conversely, in image analysis, scale transformations are used in preprocessing to enhance some features present on the image or to increase jumps of grey levels before segmentation of the image. In this paper, we establish the convergence of an approximation method which allows some control over the behavior of the approximation. More precisely, we study the convergence of an approximation from a data set of , while using scale transformations on the values before and after classical approximation. In addition, the construction of scale transformations is also given. The algorithm is presented with some numerical examples.

Ship Signatures in RADARSAT-1 ScanSAR Narrow B Imagery: Analysis with AISLive Data

DTIC Science & Technology

2007-03-01

desired target subscene contains image border “airballs” (i.e., the zero padded region around the image); • Multi-Signature Target Masking – A...of figures Figure 1. Histogram of latencies from AIS broadcast times by the originating vessels to the AISLive snapshot acquistion time for the... zero -th approximation, and first approximation courses are , , , and , respectively. The path length is a function of: a) the offset totalD iC fC

Image-rotating, 4-mirror, ring optical parametric oscillator

DOEpatents

Smith, Arlee V.; Armstrong, Darrell J.

2004-08-10

A device for optical parametric amplification utilizing four mirrors oriented in a nonplanar configuration where the optical plane formed by two of the mirrors is orthogonal to the optical plane formed by the other two mirrors and with the ratio of lengths of the laser beam paths approximately constant regardless of the scale of the device. With a cavity length of less than approximately 110 mm, a conversion efficiency of greater than 45% can be achieved.

Method and Apparatus for Reducing the Vulnerability of Latches to Single Event Upsets

NASA Technical Reports Server (NTRS)

Shuler, Robert L., Jr. (Inventor)

2002-01-01

A delay circuit includes a first network having an input and an output node, a second network having an input and an output, the input of the second network being coupled to the output node of the first network. The first network and the second network are configured such that: a glitch at the input to the first network having a length of approximately one-half of a standard glitch time or less does not cause the voltage at the output of the second network to cross a threshold, a glitch at the input to the first network having a length of between approximately one-half and two standard glitch times causes the voltage at the output of the second network to cross the threshold for less than the length of the glitch, and a glitch at the input to the first network having a length of greater than approximately two standard glitch times causes the voltage at the output of the second network to cross the threshold for approximately the time of the glitch. The method reduces the vulnerability of a latch to single event upsets. The latch includes a gate having an input and an output and a feedback path from the output to the input of the gate. The method includes inserting a delay into the feedback path and providing a delay in the gate.

Method and Apparatus for Reducing the Vulnerability of Latches to Single Event Upsets

NASA Technical Reports Server (NTRS)

Shuler, Robert L., Jr. (Inventor)

2002-01-01

A delay circuit includes a first network having an input and an output node, a second network having an input and an output, the input of the second network being coupled to the output node of the first network. The first network and the second network are configured such that: a glitch at the input to the first network having a length of approximately one-half of a standard glitch time or less does not cause tile voltage at the output of the second network to cross a threshold, a glitch at the input to the first network having a length of between approximately one-half and two standard glitch times causes the voltage at the output of the second network to cross the threshold for less than the length of the glitch, and a glitch at the input to the first network having a length of greater than approximately two standard glitch times causes the voltage at the output of the second network to cross the threshold for approximately the time of the glitch. A method reduces the vulnerability of a latch to single event upsets. The latch includes a gate having an input and an output and a feedback path from the output to the input of the gate. The method includes inserting a delay into the feedback path and providing a delay in the gate.

Path description of coordinate-space amplitudes

NASA Astrophysics Data System (ADS)

Erdoǧan, Ozan; Sterman, George

2017-06-01

We develop a coordinate version of light-cone-ordered perturbation theory, for general time-ordered products of fields, by carrying out integrals over one light-cone coordinate for each interaction vertex. The resulting expressions depend on the lengths of paths, measured in the same light-cone coordinate. Each path is associated with a denominator equal to a "light-cone deficit," analogous to the "energy deficits" of momentum-space time- or light-cone-ordered perturbation theory. In effect, the role played by intermediate states in momentum space is played by paths between external fields in coordinate space. We derive a class of identities satisfied by coordinate diagrams, from which their imaginary parts can be derived. Using scalar QED as an example, we show how the eikonal approximation arises naturally when the external points in a Green function approach the light cone, and we give applications to products of Wilson lines. Although much of our discussion is directed at massless fields in four dimensions, we extend the formalism to massive fields and dimensional regularization.

Geometric features of workspace and joint-space paths of 3D reaching movements.

PubMed

Klein Breteler, M D; Meulenbroek, R G; Gielen, S C

1998-11-01

The present study focuses on geometric features of workspace and joint-space paths of three-dimensional reaching movements. Twelve subjects repeatedly performed a three-segment, triangular-shaped movement pattern in an approximately 60 degrees tilted horizontal plane. Task variables elicited movement patterns that varied in position, rotational direction and speed. Trunk, arm, hand and finger-tip movements were recorded by means of a 3D motion-tracking system. Angular excursions of the shoulder and elbow joints were extracted from position data. Analyses of the shape of 3D workspace and joint-space paths focused on the extent to which the submovements were produced in a plane, and on the curvature of the central parts of the submovements. A systematic tendency to produce movements in a plane was found in addition to an increase of finger-tip path curvature with increasing speed. The findings are discussed in relation to the role of optimization principles in trajectory-formation models.

Optimized path planning for soft tissue resection via laser vaporization

NASA Astrophysics Data System (ADS)

Ross, Weston; Cornwell, Neil; Tucker, Matthew; Mann, Brian; Codd, Patrick

2018-02-01

Robotic and robotic-assisted surgeries are becoming more prevalent with the promise of improving surgical outcomes through increased precision, reduced operating times, and minimally invasive procedures. The handheld laser scalpel in neurosurgery has been shown to provide a more gentle approach to tissue manipulation on or near critical structures over classical tooling, though difficulties of control have prevented large scale adoption of the tool. This paper presents a novel approach to generating a cutting path for the volumetric resection of tissue using a computer-guided laser scalpel. A soft tissue ablation simulator is developed and used in conjunction with an optimization routine to select parameters which maximize the total resection of target tissue while minimizing the damage to surrounding tissue. The simulator predicts the ablative properties of tissue from an interrogation cut for tuning and simulates the removal of a tumorous tissue embedded on the surface of healthy tissue using a laser scalpel. We demonstrate the ability to control depth and smoothness of cut using genetic algorithms to optimize the ablation parameters and cutting path. The laser power level, cutting rate and spacing between cuts are optimized over multiple surface cuts to achieve the desired resection volumes.

A blueprint for demonstrating quantum supremacy with superconducting qubits.

PubMed

Neill, C; Roushan, P; Kechedzhi, K; Boixo, S; Isakov, S V; Smelyanskiy, V; Megrant, A; Chiaro, B; Dunsworth, A; Arya, K; Barends, R; Burkett, B; Chen, Y; Chen, Z; Fowler, A; Foxen, B; Giustina, M; Graff, R; Jeffrey, E; Huang, T; Kelly, J; Klimov, P; Lucero, E; Mutus, J; Neeley, M; Quintana, C; Sank, D; Vainsencher, A; Wenner, J; White, T C; Neven, H; Martinis, J M

2018-04-13

A key step toward demonstrating a quantum system that can address difficult problems in physics and chemistry will be performing a computation beyond the capabilities of any classical computer, thus achieving so-called quantum supremacy. In this study, we used nine superconducting qubits to demonstrate a promising path toward quantum supremacy. By individually tuning the qubit parameters, we were able to generate thousands of distinct Hamiltonian evolutions and probe the output probabilities. The measured probabilities obey a universal distribution, consistent with uniformly sampling the full Hilbert space. As the number of qubits increases, the system continues to explore the exponentially growing number of states. Extending these results to a system of 50 qubits has the potential to address scientific questions that are beyond the capabilities of any classical computer. Copyright © 2018 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.

Optimal navigation for characterizing the role of the nodes in complex networks

NASA Astrophysics Data System (ADS)

Cajueiro, Daniel O.

2010-05-01

In this paper, we explore how the approach of optimal navigation (Cajueiro (2009) [33]) can be used to evaluate the centrality of a node and to characterize its role in a network. Using the subway network of Boston and the London rapid transit rail as proxies for complex networks, we show that the centrality measures inherited from the approach of optimal navigation may be considered if one desires to evaluate the centrality of the nodes using other pieces of information beyond the geometric properties of the network. Furthermore, evaluating the correlations between these inherited measures and classical measures of centralities such as the degree of a node and the characteristic path length of a node, we have found two classes of results. While for the London rapid transit rail, these inherited measures can be easily explained by these classical measures of centrality, for the Boston underground transportation system we have found nontrivial results.

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

Rodríguez-Cantano, Rocío; Pérez de Tudela, Ricardo; Bartolomei, Massimiliano

Coronene-doped helium clusters have been studied by means of classical and quantum mechanical (QM) methods using a recently developed He–C{sub 24}H{sub 12} global potential based on the use of optimized atom-bond improved Lennard-Jones functions. Equilibrium energies and geometries at global and local minima for systems with up to 69 He atoms were calculated by means of an evolutive algorithm and a basin-hopping approach and compared with results from path integral Monte Carlo (PIMC) calculations at 2 K. A detailed analysis performed for the smallest sizes shows that the precise localization of the He atoms forming the first solvation layer overmore » the molecular substrate is affected by differences between relative potential minima. The comparison of the PIMC results with the predictions from the classical approaches and with diffusion Monte Carlo results allows to examine the importance of both the QM and thermal effects.« less

State-specific tunneling lifetimes from classical trajectories: H-atom dissociation in electronically excited pyrrole

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

Xie, Weiwei; Domcke, Wolfgang; Farantos, Stavros C.

A trajectory method of calculating tunneling probabilities from phase integrals along straight line tunneling paths, originally suggested by Makri and Miller [J. Chem. Phys. 91, 4026 (1989)] and recently implemented by Truhlar and co-workers [Chem. Sci. 5, 2091 (2014)], is tested for one- and two-dimensional ab initio based potentials describing hydrogen dissociation in the {sup 1}B{sub 1} excited electronic state of pyrrole. The primary observables are the tunneling rates in a progression of bending vibrational states lying below the dissociation barrier and their isotope dependences. Several initial ensembles of classical trajectories have been considered, corresponding to the quasiclassical and themore » quantum mechanical samplings of the initial conditions. It is found that the sampling based on the fixed energy Wigner density gives the best agreement with the quantum mechanical dissociation rates.« less

Zero-point energy effects in anion solvation shells.

PubMed

Habershon, Scott

2014-05-21

By comparing classical and quantum-mechanical (path-integral-based) molecular simulations of solvated halide anions X(-) [X = F, Cl, Br and I], we identify an ion-specific quantum contribution to anion-water hydrogen-bond dynamics; this effect has not been identified in previous simulation studies. For anions such as fluoride, which strongly bind water molecules in the first solvation shell, quantum simulations exhibit hydrogen-bond dynamics nearly 40% faster than the corresponding classical results, whereas those anions which form a weakly bound solvation shell, such as iodide, exhibit a quantum effect of around 10%. This observation can be rationalized by considering the different zero-point energy (ZPE) of the water vibrational modes in the first solvation shell; for strongly binding anions, the ZPE of bound water molecules is larger, giving rise to faster dynamics in quantum simulations. These results are consistent with experimental investigations of anion-bound water vibrational and reorientational motion.

Insight into the Mechanism of Hydrolysis of Meropenem by OXA-23 Serine-β-lactamase Gained by Quantum Mechanics/Molecular Mechanics Calculations.

PubMed

Sgrignani, Jacopo; Grazioso, Giovanni; De Amici, Marco

2016-09-13

The fast and constant development of drug resistant bacteria represents a serious medical emergency. To overcome this problem, the development of drugs with new structures and modes of action is urgently needed. In this work, we investigated, at the atomistic level, the mechanisms of hydrolysis of Meropenem by OXA-23, a class D β-lactamase, combining unbiased classical molecular dynamics and umbrella sampling simulations with classical force field-based and quantum mechanics/molecular mechanics potentials. Our calculations provide a detailed structural and dynamic picture of the molecular steps leading to the formation of the Meropenem-OXA-23 covalent adduct, the subsequent hydrolysis, and the final release of the inactive antibiotic. In this mechanistic framework, the predicted activation energy is in good agreement with experimental kinetic measurements, validating the expected reaction path.

Social inequalities in the face of scientific and technological development: an antinomy or an historic problem?

PubMed

Delgado, Guilherme Costa

2017-07-01

This paper aims to conduct a conceptual analysis of the relationship between scientific and technical progress and social equality, or the reduction of inequalities. We examine this relationship by drawing on three theoretical perspectives: 1) ethical economics, championed by classical economic thinkers and centered on utilitarian self-interest, 2) Mainstream theories of economic development espousing the endogenous link between labor productivity growth and technical progress, 3) the critique of theories of economic development that emerged in the second half of the twentieth century, including Celso Furtado's critique of the theory of underdevelopment, emphasizing the prevalence of egalitarian tendencies, and ecological economics, which suggest alternative paths to those set by "classical" theories of development. The fundamental antinomy posed by the title of this article, characterized by an intrinsic contradiction between technical progress and social equality, strictly presupposes the ethical economics perspective, dominated by the social relations that constitute the "social order".

Disorder-dominated linear magnetoresistance in topological insulator Bi2Se3 thin films

NASA Astrophysics Data System (ADS)

Wang, Wen Jie; Gao, Kuang Hong; Li, Qiu Lin; Li, Zhi-Qing

2017-12-01

The linear magnetoresistance (MR) effect is an interesting topic due to its potential applications. In topological insulator Bi2Se3, this effect has been reported to be dominated by the carrier mobility (μ) and hence has a classical origin. Here, we study the magnetotransport properties of Bi2Se3 thin films and observe the linear MR effect, which cannot be attributed to the quantum model. Unexpectedly, the linear MR does not show the linear dependence on μ, in conflict with the reported results. However, we find that the observed linear MR is dominated by the inverse disorder parameter 1 /kFl , where kF and l are the Fermi wave vector and the mean free path, respectively. This suggests that its origin is also classical and that no μ-dominated linear MR effect is observed which may be due to the very small μ values in our samples.

Asymptotic Linear Spectral Statistics for Spiked Hermitian Random Matrices

NASA Astrophysics Data System (ADS)

Passemier, Damien; McKay, Matthew R.; Chen, Yang

2015-07-01

Using the Coulomb Fluid method, this paper derives central limit theorems (CLTs) for linear spectral statistics of three "spiked" Hermitian random matrix ensembles. These include Johnstone's spiked model (i.e., central Wishart with spiked correlation), non-central Wishart with rank-one non-centrality, and a related class of non-central matrices. For a generic linear statistic, we derive simple and explicit CLT expressions as the matrix dimensions grow large. For all three ensembles under consideration, we find that the primary effect of the spike is to introduce an correction term to the asymptotic mean of the linear spectral statistic, which we characterize with simple formulas. The utility of our proposed framework is demonstrated through application to three different linear statistics problems: the classical likelihood ratio test for a population covariance, the capacity analysis of multi-antenna wireless communication systems with a line-of-sight transmission path, and a classical multiple sample significance testing problem.

Fully adaptive propagation of the quantum-classical Liouville equation

NASA Astrophysics Data System (ADS)

Horenko, Illia; Weiser, Martin; Schmidt, Burkhard; Schütte, Christof

2004-05-01

In mixed quantum-classical molecular dynamics few but important degrees of freedom of a dynamical system are modeled quantum-mechanically while the remaining ones are treated within the classical approximation. Rothe methods established in the theory of partial differential equations are used to control both temporal and spatial discretization errors on grounds of a global tolerance criterion. The TRAIL (trapezoidal rule for adaptive integration of Liouville dynamics) scheme [I. Horenko and M. Weiser, J. Comput. Chem. 24, 1921 (2003)] has been extended to account for nonadiabatic effects in molecular dynamics described by the quantum-classical Liouville equation. In the context of particle methods, the quality of the spatial approximation of the phase-space distributions is maximized while the numerical condition of the least-squares problem for the parameters of particles is minimized. The resulting dynamical scheme is based on a simultaneous propagation of moving particles (Gaussian and Dirac deltalike trajectories) in phase space employing a fully adaptive strategy to upgrade Dirac to Gaussian particles and, vice versa, downgrading Gaussians to Dirac-type trajectories. This allows for the combination of Monte-Carlo-based strategies for the sampling of densities and coherences in multidimensional problems with deterministic treatment of nonadiabatic effects. Numerical examples demonstrate the application of the method to spin-boson systems in different dimensionality. Nonadiabatic effects occurring at conical intersections are treated in the diabatic representation. By decreasing the global tolerance, the numerical solution obtained from the TRAIL scheme are shown to converge towards exact results.

Fully adaptive propagation of the quantum-classical Liouville equation.

PubMed

Horenko, Illia; Weiser, Martin; Schmidt, Burkhard; Schütte, Christof

2004-05-15

In mixed quantum-classical molecular dynamics few but important degrees of freedom of a dynamical system are modeled quantum-mechanically while the remaining ones are treated within the classical approximation. Rothe methods established in the theory of partial differential equations are used to control both temporal and spatial discretization errors on grounds of a global tolerance criterion. The TRAIL (trapezoidal rule for adaptive integration of Liouville dynamics) scheme [I. Horenko and M. Weiser, J. Comput. Chem. 24, 1921 (2003)] has been extended to account for nonadiabatic effects in molecular dynamics described by the quantum-classical Liouville equation. In the context of particle methods, the quality of the spatial approximation of the phase-space distributions is maximized while the numerical condition of the least-squares problem for the parameters of particles is minimized. The resulting dynamical scheme is based on a simultaneous propagation of moving particles (Gaussian and Dirac deltalike trajectories) in phase space employing a fully adaptive strategy to upgrade Dirac to Gaussian particles and, vice versa, downgrading Gaussians to Dirac-type trajectories. This allows for the combination of Monte-Carlo-based strategies for the sampling of densities and coherences in multidimensional problems with deterministic treatment of nonadiabatic effects. Numerical examples demonstrate the application of the method to spin-boson systems in different dimensionality. Nonadiabatic effects occurring at conical intersections are treated in the diabatic representation. By decreasing the global tolerance, the numerical solution obtained from the TRAIL scheme are shown to converge towards exact results.

Quantum-Classical Correspondence Principle for Work Distributions

NASA Astrophysics Data System (ADS)

Jarzynski, Christopher; Quan, H. T.; Rahav, Saar

2015-07-01

For closed quantum systems driven away from equilibrium, work is often defined in terms of projective measurements of initial and final energies. This definition leads to statistical distributions of work that satisfy nonequilibrium work and fluctuation relations. While this two-point measurement definition of quantum work can be justified heuristically by appeal to the first law of thermodynamics, its relationship to the classical definition of work has not been carefully examined. In this paper, we employ semiclassical methods, combined with numerical simulations of a driven quartic oscillator, to study the correspondence between classical and quantal definitions of work in systems with 1 degree of freedom. We find that a semiclassical work distribution, built from classical trajectories that connect the initial and final energies, provides an excellent approximation to the quantum work distribution when the trajectories are assigned suitable phases and are allowed to interfere. Neglecting the interferences between trajectories reduces the distribution to that of the corresponding classical process. Hence, in the semiclassical limit, the quantum work distribution converges to the classical distribution, decorated by a quantum interference pattern. We also derive the form of the quantum work distribution at the boundary between classically allowed and forbidden regions, where this distribution tunnels into the forbidden region. Our results clarify how the correspondence principle applies in the context of quantum and classical work distributions and contribute to the understanding of work and nonequilibrium work relations in the quantum regime.

Stormtime transport of ring current and radiation belt ions

NASA Technical Reports Server (NTRS)

Chen, Margaret W.; Schulz, Michael; Lyons, L. R.; Gorney, David J.

1993-01-01

This is an investigation of stormtime particle transport that leads to formation of the ring current. Our method is to trace the guiding-center motion of representative ions (having selected first adiabatic invariants mu) in response to model substorm-associated impulses in the convection electric field. We compare our simulation results qualitatively with existing analytically tractable idealizations of particle transport (direct convective access and radial diffusion) in order to assess the limits of validity of these approximations. For mu approximately less than 10 MeV/G (E approximately less than 10 keV at L equivalent to 3) the ion drift period on the final (ring-current) drift shell of interest (L equivalent to 3) exceeds the duration of the main phase of our model storm, and we find that the transport of ions to this drift shell is appropriately idealized as direct convective access, typically from open drift paths. Ion transport to a final closed drift path from an open (plasma-sheet) drift trajectory is possible for those portions of that drift path that lie outside the mean stormtime separatrix between closed and open drift trajectories, For mu approximately 10-25 MeV/G (110 keV approximately less than E approximately less than 280 keV at L equivalent to 3) the drift period at L equivalent to 3 is comparable to the postulated 3-hr duration of the storm, and the mode of transport is transitional between direct convective access and transport that resembles radial diffusion. (This particle population is transitional between the ring current and radiation belt). For mu approximately greater than 25 MeV/G (radiation-belt ions having E approximately greater than 280 keV at L equivalent to 3) the ion drift period is considerably shorter than the main phase of a typical storm, and ions gain access to the ring-current region essentially via radial diffusion. By computing the mean and mean-square cumulative changes in 1/L among (in this case) 12 representative ions equally spaced in drift time around the steady-state drift shell of interest (L equivalent to 3), we have estimated (from both our forward and our time-reversed simulations) the time-integrated radial-diffusion coefficients D(sup sim)(sub LL) for particles having selected values of mu approximately greater than 15 MeV/G. The results agree surprisingly well with the predictions (D(sup ql)(sub LL)) of quasilinear radial diffusion theory, despite the rather brief duration (approximately 3 hrs) of our model storm and despite the extreme variability (with frequency) of the spectral-density function that characterizes the applied electric field during our model storm. As expected, the values of D(sup sim)(sub LL) deduced (respectively) from our forward and time-reversed simulations agree even better with each other and with D(sup sim)(sub LL) when the impulse amplitudes which characterize the individual substorms of our model storm are systematically reduced.

Sensitivity analysis, approximate analysis, and design optimization for internal and external viscous flows

NASA Technical Reports Server (NTRS)

Taylor, Arthur C., III; Hou, Gene W.; Korivi, Vamshi M.

1991-01-01

A gradient-based design optimization strategy for practical aerodynamic design applications is presented, which uses the 2D thin-layer Navier-Stokes equations. The strategy is based on the classic idea of constructing different modules for performing the major tasks such as function evaluation, function approximation and sensitivity analysis, mesh regeneration, and grid sensitivity analysis, all driven and controlled by a general-purpose design optimization program. The accuracy of aerodynamic shape sensitivity derivatives is validated on two viscous test problems: internal flow through a double-throat nozzle and external flow over a NACA 4-digit airfoil. A significant improvement in aerodynamic performance has been achieved in both cases. Particular attention is given to a consistent treatment of the boundary conditions in the calculation of the aerodynamic sensitivity derivatives for the classic problems of external flow over an isolated lifting airfoil on 'C' or 'O' meshes.

Theory of the interface between a classical plasma and a hard wall

NASA Astrophysics Data System (ADS)

Ballone, P.; Pastore, G.; Tosi, M. P.

1983-09-01

The interfacial density profile of a classical one-component plasma confined by a hard wall is studied in planar and spherical geometries. The approach adapts to interfacial problems a modified hypernetted-chain approximation developed by Lado and by Rosenfeld and Ashcroft for the bulk structure of simple liquids. The specific new aim is to embody selfconsistently into the theory a contact theorem, fixing the plasma density at the wall through an equilibrium condition which involves the electrical potential drop across the interface and the bulk pressure. The theory is brought into fully quantitative contact with computer simulation data for a plasma confined in a spherical cavity of large but finite radius. The interfacial potential at the point of zero charge is accurately reproduced by suitably combining the contact theorem with relevant bulk properties in a simple, approximate representation of the interfacial charge density profile.

Theory of the interface between a classical plasma and a hard wall

NASA Astrophysics Data System (ADS)

Ballone, P.; Pastore, G.; Tosi, M. P.

1984-12-01

The interfacial density profile of a classical one-component plasma confined by a hard wall is studied in planar and spherical geometries. The approach adapts to interfacial problems a modified hypernetted-chain approximation developed by Lado and by Rosenfeld and Ashcroft for the bulk structure of simple liquids. The specific new aim is to embody self-consistently into the theory a “contact theorem”, fixing the plasma density at the wall through an equilibrium condition which involves the electrical potential drop across the interface and the bulk pressure. The theory is brought into fully quantitative contact with computer simulation data for a plasma confined in a spherical cavity of large but finite radius. It is also shown that the interfacial potential at the point of zero charge is accurately reproduced by suitably combining the contact theorem with relevant bulk properties in a simple, approximate representation of the interfacial charge density profile.

On proton excitation of forbidden lines in positive ions

NASA Astrophysics Data System (ADS)

Burgess, Alan; Tully, John A.

2005-08-01

The semi-classical impact parameter approximations used by Bahcall and Wolf and by Bely and Faucher, for proton excitation of electric quadrupole transitions in positive ions, both fail at high energies, giving cross sections which do not fall off correctly as constant/E. This is in contrast with the pioneering example of Seaton for Fe+13 and of Reid and Schwarz for S+3, both of whom achieve the correct functional form, but do not ensure the correct constant of proportionality. By combining the Born and semi-classical approximations one can obtain cross sections which have the full correct behaviour as E → ∞, and hence, rate coefficients which have the correct high temperature behaviour (~C/T1/2 with the correct value of C). We provide a computer program for calculating these. An error in Faucher's derivation of the Born formula is also discussed.

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

Li, Zhiying; Heller, Eric J.; Krems, Roman V.

We explore the collision dynamics of complex hydrocarbon molecules (benzene, coronene, adamantane, and anthracene) containing carbon rings in a cold buffer gas of {sup 3}He. For benzene, we present a comparative analysis of the fully classical and fully quantum calculations of elastic and inelastic scattering cross sections at collision energies between 1 and 10 cm{sup −1}. The quantum calculations are performed using the time-independent coupled channel approach and the coupled-states approximation. We show that the coupled-states approximation is accurate at collision energies between 1 and 20 cm{sup −1}. For the classical dynamics calculations, we develop an approach exploiting the rigiditymore » of the carbon rings and including low-energy vibrational modes without holonomic constraints. Our results illustrate the effect of the molecular shape and the vibrational degrees of freedom on the formation of long-lived resonance states that lead to low-temperature clustering.« less

A simple approach for the modeling of an ODS steel mechanical behavior in pilgering conditions

NASA Astrophysics Data System (ADS)

Vanegas-Márquez, E.; Mocellin, K.; Toualbi, L.; de Carlan, Y.; Logé, R. E.

2012-01-01

The optimization of the forming of ODS tubes is linked to the choice of an appropriated constitutive model for modeling the metal forming process. In the framework of a unified plastic constitutive theory, the strain-controlled cyclic characteristics of a ferritic ODS steel were analyzed and modeled with two different tests. The first test is a classical tension-compression test, and leads to cyclic softening at low to intermediate strain amplitudes. The second test consists in alternated uniaxial compressions along two perpendicular axes, and is selected based on the similarities with the loading path induced by the Fe-14Cr-1W-Ti ODS cladding tube pilgering process. This second test exhibits cyclic hardening at all tested strain amplitudes. Since variable strain amplitudes prevail in pilgering conditions, the parameters of the considered constitutive law were identified based on a loading sequence including strain amplitude changes. A proposed semi automated inverse analysis methodology is shown to efficiently provide optimal sets of parameters for the considered loading sequences. When compared to classical approaches, the model involves a reduced number of parameters, while keeping a good ability to capture stress changes induced by strain amplitude changes. Furthermore, the methodology only requires one test, which is an advantage when the amount of available material is limited. As two distinct sets of parameters were identified for the two considered tests, it is recommended to consider the loading path when modeling cold forming of the ODS steel.

Turtle Draws an Ellipse.

ERIC Educational Resources Information Center

Dreyfus, Tommy

1988-01-01

Proposes to modify the procedure proposed by Abelson and diSessa to produce a polygonal path with vertices that lie exactly on an ellipse. Provides a detailed proof. Implements a limiting process to produce the best possible approximation to any ellipse for any given screen resolution. (CW)

Few-body semiclassical approach to nucleon transfer and emission reactions

NASA Astrophysics Data System (ADS)

Sultanov, Renat A.; Guster, D.

2014-04-01

A three-body semiclassical model is proposed to describe the nucleon transfer and emission reactions in a heavy-ion collision. In this model the two heavy particles, i.e. nuclear cores A1(ZA1, MA1) and A2(ZA2, MA2), move along classical trajectories {{R}_1}( t ) and {{R}_2}( t ) respectively, while the dynamics of the lighter neutron (n) is considered from a quantum mechanical point of view. Here, Mi are the nucleon masses and Zi are the Coulomb charges of the heavy nuclei (i = 1, 2). A Faddeev-type semiclassical formulation using realistic paired nuclear-nuclear potentials is applied so that all three channels (elastic, rearrangement and break-up) are described in a unified manner. In order to solve the time-dependent equations the Faddeev components of the total three-body wave-function are expanded in terms of the input and output channel target eigenfunctions. In the special case, when the nuclear cores are identical (A1 ≡ A2) and also the two-level approximation in the expansion over the target (subsystem) functions is used, the time-dependent semiclassical Faddeev equations are resolved in an explicit way. To determine the realistic {{R}_1}( t ) and {{R}_2}( t ) trajectories of the nuclear cores, a self-consistent approach based on the Feynman path integral theory is applied.

Implementation and validation of a wake model for low-speed forward flight

NASA Technical Reports Server (NTRS)

Komerath, Narayanan M.; Schreiber, Olivier A.

1987-01-01

The computer implementation and calculations of the induced velocities produced by a wake model consisting of a trailing vortex system defined from a prescribed time averaged downwash distribution are detailed. Induced velocities are computed by approximating each spiral turn by a pair of large straight vortex segments positioned at critical points relative to where the induced velocity is required. A remainder term for the rest of the spiral is added. This approach results in decreased computation time compared to classical models where each spiral turn is broken down in small straight vortex segments. The model includes features such a harmonic variation of circulation, downwash outside of the blade and/or outside the tip path plane, blade bound vorticity induced velocity with harmonic variation of circulation and time averaging. The influence of various options and parameters on the results are investigated and results are compared to experimental field measurements with which, a resonable agreement is obtained. The capabilities of the model as well as its extension possibilities are studied. The performance of the model in predicting the recently-acquired NASA Langley Inflow data base for a four-bladed rotor is compared to that of the Scully Free Wake code, a well-established program which requires much greater computational resources. It is found that the two codes predict the experimental data with essentially the same accuracy, and show the same trends.

The early evolution of the inner solar system: a meteoritic perspective.

PubMed

O'D Alexander, C M; Boss, A P; Carlson, R W

2001-07-06

Formation of the solar system may have been triggered by a stellar wind. From then on, the solar system would have followed a conventional evolutionary path, including the formation of a disk and bipolar jets. The now extinct short-lived radionuclides beryllium-10 and, possibly, manganese-53 that were present in meteorites probably resulted from energetic particle irradiation within the solar system. Calcium-aluminum-rich inclusions (the oldest known solar system solids) and chondrules could have been produced by the bipolar jets, but it is more likely that they formed during localized events in the asteroid belt. The chondritic meteorites formed within the temperature range (100 to 400 kelvin) inferred for the midplane of classical T Tauri disks at 2 to 3 astronomical units from their central stars. However, these meteorites may retain a chemical memory of earlier times when midplane temperatures were much higher. Dissipation of the solar nebula occurred within a few million years of solar system formation, whereas differentiation of asteroidal-sized bodies occurred within 5 to 15 million years. The terrestrial planets took approximately 100 million years to form. Consequently, they would have accreted already differentiated bodies, and their final assembly was not completed until after the solar nebula had dispersed. This implies that water-bearing asteroids and/or icy planetesimals that formed near Jupiter are the likely sources of Earth's water.

Specificity of foot configuration during bipedal stance in ballet dancers.

PubMed

Casabona, Antonino; Leonardi, Giuseppa; Aimola, Ettore; La Grua, Giovanni; Polizzi, Cristina Maria; Cioni, Matteo; Valle, Maria Stella

2016-05-01

Learning highly specialized upright postures may be of benefit for more common as well as for novel stances. In this study, we asked whether this generalization occurs with foot configurations previously trained or depends on a generic increase in balance difficulty. We also explored the possibility that the benefit may concern not only the level of postural performance but also the structural organization of the upright standing. Ten elite professional ballet dancers were compared to ten untrained subjects, measuring the motion of the center of pressure (COP) across a set of five stances with different foot configurations. The balance stability was measured computing the area, the sway path, and the root mean square of the COP motion, whereas the structure of the postural control was assessed by compute approximate entropy, fractal dimension and the mean power frequency. The foot position included common and challenging stances, with the level of difficulty changed across the configurations. Among these conditions, only one foot configuration was familiar to the dancers. Statistically significant differences between the two groups, for all the parameters, were observed only for the stance with the foot position familiar to the dancers. Stability and structural parameters exhibited comparable differences. We concluded that the benefit from classical ballet is limited to a specific foot configuration, regardless of the level of stance difficulty or the component of postural control. Copyright © 2016 Elsevier B.V. All rights reserved.

An approximate classical unimolecular reaction rate theory

NASA Astrophysics Data System (ADS)

Zhao, Meishan; Rice, Stuart A.

1992-05-01

We describe a classical theory of unimolecular reaction rate which is derived from the analysis of Davis and Gray by use of simplifying approximations. These approximations concern the calculation of the locations of, and the fluxes of phase points across, the bottlenecks to fragmentation and to intramolecular energy transfer. The bottleneck to fragment separation is represented as a vibration-rotation state dependent separatrix, which approximation is similar to but extends and improves the approximations for the separatrix introduced by Gray, Rice, and Davis and by Zhao and Rice. The novel feature in our analysis is the representation of the bottlenecks to intramolecular energy transfer as dividing surfaces in phase space; the locations of these dividing surfaces are determined by the same conditions as locate the remnants of robust tori with frequency ratios related to the golden mean (in a two degree of freedom system these are the cantori). The flux of phase points across each dividing surface is calculated with an analytic representation instead of a stroboscopic mapping. The rate of unimolecular reaction is identified with the net rate at which phase points escape from the region of quasiperiodic bounded motion to the region of free fragment motion by consecutively crossing the dividing surfaces for intramolecular energy exchange and the separatrix. This new theory generates predictions of the rates of predissociation of the van der Waals molecules HeI2, NeI2 and ArI2 which are in very good agreement with available experimental data.

The dissociation and recombination rates of CH4 through the Ni(111) surface: The effect of lattice motion

NASA Astrophysics Data System (ADS)

Wang, Wenji; Zhao, Yi

2017-07-01

Methane dissociation is a prototypical system for the study of surface reaction dynamics. The dissociation and recombination rates of CH4 through the Ni(111) surface are calculated by using the quantum instanton method with an analytical potential energy surface. The Ni(111) lattice is treated rigidly, classically, and quantum mechanically so as to reveal the effect of lattice motion. The results demonstrate that it is the lateral displacements rather than the upward and downward movements of the surface nickel atoms that affect the rates a lot. Compared with the rigid lattice, the classical relaxation of the lattice can increase the rates by lowering the free energy barriers. For instance, at 300 K, the dissociation and recombination rates with the classical lattice exceed the ones with the rigid lattice by 6 and 10 orders of magnitude, respectively. Compared with the classical lattice, the quantum delocalization rather than the zero-point energy of the Ni atoms further enhances the rates by widening the reaction path. For instance, the dissociation rate with the quantum lattice is about 10 times larger than that with the classical lattice at 300 K. On the rigid lattice, due to the zero-point energy difference between CH4 and CD4, the kinetic isotope effects are larger than 1 for the dissociation process, while they are smaller than 1 for the recombination process. The increasing kinetic isotope effect with decreasing temperature demonstrates that the quantum tunneling effect is remarkable for the dissociation process.

Hierarchical heuristic search using a Gaussian mixture model for UAV coverage planning.

PubMed

Lin, Lanny; Goodrich, Michael A

2014-12-01

During unmanned aerial vehicle (UAV) search missions, efficient use of UAV flight time requires flight paths that maximize the probability of finding the desired subject. The probability of detecting the desired subject based on UAV sensor information can vary in different search areas due to environment elements like varying vegetation density or lighting conditions, making it likely that the UAV can only partially detect the subject. This adds another dimension of complexity to the already difficult (NP-Hard) problem of finding an optimal search path. We present a new class of algorithms that account for partial detection in the form of a task difficulty map and produce paths that approximate the payoff of optimal solutions. The algorithms use the mode goodness ratio heuristic that uses a Gaussian mixture model to prioritize search subregions. The algorithms search for effective paths through the parameter space at different levels of resolution. We compare the performance of the new algorithms against two published algorithms (Bourgault's algorithm and LHC-GW-CONV algorithm) in simulated searches with three real search and rescue scenarios, and show that the new algorithms outperform existing algorithms significantly and can yield efficient paths that yield payoffs near the optimal.

Column Number Density Expressions Through M = 0 and M = 1 Point Source Plumes Along Any Straight Path

NASA Technical Reports Server (NTRS)

Woronowicz, Michael

2016-01-01

Analytical expressions for column number density (CND) are developed for optical line of sight paths through a variety of steady free molecule point source models including directionally-constrained effusion (Mach number M = 0) and flow from a sonic orifice (M = 1). Sonic orifice solutions are approximate, developed using a fair simulacrum fitted to the free molecule solution. Expressions are also developed for a spherically-symmetric thermal expansion (M = 0). CND solutions are found for the most general paths relative to these sources and briefly explored. It is determined that the maximum CND from a distant location through directed effusion and sonic orifice cases occurs along the path parallel to the source plane that intersects the plume axis. For the effusive case this value is exactly twice the CND found along the ray originating from that point of intersection and extending to infinity along the plume's axis. For sonic plumes this ratio is reduced to about 4/3. For high Mach number cases the maximum CND will be found along the axial centerline path. Keywords: column number density, plume flows, outgassing, free molecule flow.

Coarse-grained representation of the quasi adiabatic propagator path integral for the treatment of non-Markovian long-time bath memory

NASA Astrophysics Data System (ADS)

Richter, Martin; Fingerhut, Benjamin P.

2017-06-01

The description of non-Markovian effects imposed by low frequency bath modes poses a persistent challenge for path integral based approaches like the iterative quasi-adiabatic propagator path integral (iQUAPI) method. We present a novel approximate method, termed mask assisted coarse graining of influence coefficients (MACGIC)-iQUAPI, that offers appealing computational savings due to substantial reduction of considered path segments for propagation. The method relies on an efficient path segment merging procedure via an intermediate coarse grained representation of Feynman-Vernon influence coefficients that exploits physical properties of system decoherence. The MACGIC-iQUAPI method allows us to access the regime of biological significant long-time bath memory on the order of hundred propagation time steps while retaining convergence to iQUAPI results. Numerical performance is demonstrated for a set of benchmark problems that cover bath assisted long range electron transfer, the transition from coherent to incoherent dynamics in a prototypical molecular dimer and excitation energy transfer in a 24-state model of the Fenna-Matthews-Olson trimer complex where in all cases excellent agreement with numerically exact reference data is obtained.

Light-duty vehicle CO2 targets consistent with 450 ppm CO2 stabilization.

PubMed

Winkler, Sandra L; Wallington, Timothy J; Maas, Heiko; Hass, Heinz

2014-06-03

We present a global analysis of CO2 emission reductions from the light-duty vehicle (LDV) fleet consistent with stabilization of atmospheric CO2 concentration at 450 ppm. The CO2 emission reductions are described by g CO2/km emission targets for average new light-duty vehicles on a tank-to-wheel basis between 2010 and 2050 that we call CO2 glide paths. The analysis accounts for growth of the vehicle fleet, changing patterns in driving distance, regional availability of biofuels, and the changing composition of fossil fuels. New light-duty vehicle fuel economy and CO2 regulations in the U.S. through 2025 and in the EU through 2020 are broadly consistent with the CO2 glide paths. The glide path is at the upper end of the discussed 2025 EU range of 68-78 g CO2/km. The proposed China regulation for 2020 is more stringent than the glide path, while the 2017 Brazil regulation is less stringent. Existing regulations through 2025 are broadly consistent with the light-duty vehicle sector contributing to stabilizing CO2 at approximately 450 ppm. The glide paths provide long-term guidance for LDV powertrain/fuel development.

Quasi-classical approaches to vibronic spectra revisited

NASA Astrophysics Data System (ADS)

Karsten, Sven; Ivanov, Sergei D.; Bokarev, Sergey I.; Kühn, Oliver

2018-03-01

The framework to approach quasi-classical dynamics in the electronic ground state is well established and is based on the Kubo-transformed time correlation function (TCF), being the most classical-like quantum TCF. Here we discuss whether the choice of the Kubo-transformed TCF as a starting point for simulating vibronic spectra is as unambiguous as it is for vibrational ones. Employing imaginary-time path integral techniques in combination with the interaction representation allowed us to formulate a method for simulating vibronic spectra in the adiabatic regime that takes nuclear quantum effects and dynamics on multiple potential energy surfaces into account. Further, a generalized quantum TCF is proposed that contains many well-established TCFs, including the Kubo one, as particular cases. Importantly, it also provides a framework to construct new quantum TCFs. Applying the developed methodology to the generalized TCF leads to a plethora of simulation protocols, which are based on the well-known TCFs as well as on new ones. Their performance is investigated on 1D anharmonic model systems at finite temperatures. It is shown that the protocols based on the new TCFs may lead to superior results with respect to those based on the common ones. The strategies to find the optimal approach are discussed.

Investigation of global and local network properties of music perception with culturally different styles of music.

PubMed

Li, Yan; Rui, Xue; Li, Shuyu; Pu, Fang

2014-11-01

Graph theoretical analysis has recently become a popular research tool in neuroscience, however, there have been very few studies on brain responses to music perception, especially when culturally different styles of music are involved. Electroencephalograms were recorded from ten subjects listening to Chinese traditional music, light music and western classical music. For event-related potentials, phase coherence was calculated in the alpha band and then constructed into correlation matrices. Clustering coefficients and characteristic path lengths were evaluated for global properties, while clustering coefficients and efficiency were assessed for local network properties. Perception of light music and western classical music manifested small-world network properties, especially with a relatively low proportion of weights of correlation matrices. For local analysis, efficiency was more discernible than clustering coefficient. Nevertheless, there was no significant discrimination between Chinese traditional and western classical music perception. Perception of different styles of music introduces different network properties, both globally and locally. Research into both global and local network properties has been carried out in other areas; however, this is a preliminary investigation aimed at suggesting a possible new approach to brain network properties in music perception. Copyright © 2014 Elsevier Ltd. All rights reserved.

Predicting absorption and dispersion in acoustics by direct simulation Monte Carlo: Quantum and classical models for molecular relaxation.

PubMed

Hanford, Amanda D; O'Connor, Patrick D; Anderson, James B; Long, Lyle N

2008-06-01

In the current study, real gas effects in the propagation of sound waves are simulated using the direct simulation Monte Carlo method for a wide range of frequencies. This particle method allows for treatment of acoustic phenomena at high Knudsen numbers, corresponding to low densities and a high ratio of the molecular mean free path to wavelength. Different methods to model the internal degrees of freedom of diatomic molecules and the exchange of translational, rotational and vibrational energies in collisions are employed in the current simulations of a diatomic gas. One of these methods is the fully classical rigid-rotor/harmonic-oscillator model for rotation and vibration. A second method takes into account the discrete quantum energy levels for vibration with the closely spaced rotational levels classically treated. This method gives a more realistic representation of the internal structure of diatomic and polyatomic molecules. Applications of these methods are investigated in diatomic nitrogen gas in order to study the propagation of sound and its attenuation and dispersion along with their dependence on temperature. With the direct simulation method, significant deviations from continuum predictions are also observed for high Knudsen number flows.

A theoretical framework for constructing elastic/plastic constitutive models of triaxial tests

NASA Astrophysics Data System (ADS)

Collins, Ian F.; Hilder, Tamsyn

2002-11-01

Modern ideas of thermomechanics are used to develop families of models describing the elastic/plastic behaviour of cohesionless soils deforming under triaxial conditions. Once the form of the free energy and dissipation potential functions have been specified, the corresponding yield loci, flow rules, isotropic and kinematic hardening rules as well as the elasticity law are deduced in a systematic manner. The families contain the classical linear frictional (Coulomb type) models and the classical critical state models as special cases. The generalized models discussed here include non-associated flow rules, shear as well as volumetric hardening, anisotropic responses and rotational yield loci. The various parameters needed to describe the models can be interpreted in terms of ratio of the plastic work, which is dissipated, to that which is stored. Non-associated behaviour is found to occur whenever this division between dissipated and stored work is not equal. Micro-level interpretations of stored plastic work are discussed. The models automatically satisfy the laws of thermodynamics, and there is no need to invoke any stability postulates. Some classical forms of the peak-strength/dilatancy relationship are established theoretically. Some representative drained and undrained paths are computed.

Reaching Agreement in Quantum Hybrid Networks.

PubMed

Shi, Guodong; Li, Bo; Miao, Zibo; Dower, Peter M; James, Matthew R

2017-07-20

We consider a basic quantum hybrid network model consisting of a number of nodes each holding a qubit, for which the aim is to drive the network to a consensus in the sense that all qubits reach a common state. Projective measurements are applied serving as control means, and the measurement results are exchanged among the nodes via classical communication channels. In this way the quantum-opeartion/classical-communication nature of hybrid quantum networks is captured, although coherent states and joint operations are not taken into consideration in order to facilitate a clear and explicit analysis. We show how to carry out centralized optimal path planning for this network with all-to-all classical communications, in which case the problem becomes a stochastic optimal control problem with a continuous action space. To overcome the computation and communication obstacles facing the centralized solutions, we also develop a distributed Pairwise Qubit Projection (PQP) algorithm, where pairs of nodes meet at a given time and respectively perform measurements at their geometric average. We show that the qubit states are driven to a consensus almost surely along the proposed PQP algorithm, and that the expected qubit density operators converge to the average of the network's initial values.

Atomization and dense-fluid breakup regimes in liquid rocket engines

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

Oefelein, Joseph; Dahms, Rainer Norbert Uwe

Until recently, modern theory has lacked a fundamentally based model to predict the operating pressures where classical sprays transition to dense-fluid mixing with diminished surface tension. In this paper, such a model is presented to quantify this transition for liquid-oxygen–hydrogen and n-decane–gaseous-oxygen injection processes. The analysis reveals that respective molecular interfaces break down not necessarily because of vanishing surface tension forces but instead because of the combination of broadened interfaces and a reduction in mean free molecular path. When this occurs, the interfacial structure itself enters the continuum regime, where transport processes rather than intermolecular forces dominate. Using this model,more » regime diagrams for the respective systems are constructed that show the range of operating pressures and temperatures where this transition occurs. The analysis also reveals the conditions where classical spray dynamics persists even at high supercritical pressures. As a result, it demonstrates that, depending on the composition and temperature of the injected fluids, the injection process can exhibit either classical spray atomization, dense-fluid diffusion-dominated mixing, or supercritical mixing phenomena at chamber pressures encountered in state-of-the-art liquid rocket engines.« less

Atomization and dense-fluid breakup regimes in liquid rocket engines

DOE PAGES

Oefelein, Joseph; Dahms, Rainer Norbert Uwe

2015-04-20

Until recently, modern theory has lacked a fundamentally based model to predict the operating pressures where classical sprays transition to dense-fluid mixing with diminished surface tension. In this paper, such a model is presented to quantify this transition for liquid-oxygen–hydrogen and n-decane–gaseous-oxygen injection processes. The analysis reveals that respective molecular interfaces break down not necessarily because of vanishing surface tension forces but instead because of the combination of broadened interfaces and a reduction in mean free molecular path. When this occurs, the interfacial structure itself enters the continuum regime, where transport processes rather than intermolecular forces dominate. Using this model,more » regime diagrams for the respective systems are constructed that show the range of operating pressures and temperatures where this transition occurs. The analysis also reveals the conditions where classical spray dynamics persists even at high supercritical pressures. As a result, it demonstrates that, depending on the composition and temperature of the injected fluids, the injection process can exhibit either classical spray atomization, dense-fluid diffusion-dominated mixing, or supercritical mixing phenomena at chamber pressures encountered in state-of-the-art liquid rocket engines.« less

A scrutiny of the premise of the Rice-Ramsperger-Kassel-Marcus theory in isomerization reaction of an Ar7-type molecule

NASA Astrophysics Data System (ADS)

Takatsuka, Kazuo; Seko, Chihiro

1996-12-01

The validity of the physical premise of the Rice-Ramsperger-Kassel-Marcus (RRKM) theory is investigated in terms of the classical dynamics of isomerization reaction in Ar7-like molecules (clusters). The passage times of classical trajectories through the potential basins of isomers in the structural transitions are examined. In the high energy region corresponding to the so-called liquidlike phase, remarkable uniformity of the average passage times has been found. That is, the average passage time is characterized only by a basin through which a trajectory is currently passing and, hence, does not depend on the next visiting basins. This behavior is out of accord with the ordinary chemical law in that the ``reaction rates'' do not seem to depend on the height of the individual potential barriers. We ascribe this seemingly strange uniformity to the strong mixing (chaos) lying behind the rate process. That is, as soon as a classical path enters a basin, it gets involved into a chaotic zone in which many paths having different channels are entangled among each other, and effectively (in the statistical sense) loses its memory about which basin it came from and where it should visit next time. This model is verified by confirming that the populations of the lifetime of transition from one basin to others are expressed in exponential functions, which should have very similar exponents to each other in each passing-through basin. The inverse of the exponent is essentially proportional to the average passage time, and consequently brings about the uniformity. These populations set a foundation for the multichannel generalization of the RRKM theory. Two cases of the non-RRKM behaviors have been studied. One is a nonstatistical behavior in the low energy region such as the so-called coexistence phase. The other is the short-time behavior. It is well established [M. Berblinger and C. Schlier, J. Chem. Phys. 101, 4750 (1994)] that in a relatively simple and small system such as H+3, the so-called direct paths, which lead to dissociation before the phase-space mixing is completed, increase the probability of short-time passage. In contrast, we have found in our Ar7-like molecules that trajectories of short passage time are fewer than expected by the statistical theory. It is conceived that somewhat a long time in the initial stage of the isomerization is spent by a trajectory to find its ways out to the next basins.

Approximation methods in gravitational-radiation theory

NASA Technical Reports Server (NTRS)

Will, C. M.

1986-01-01

The observation of gravitational-radiation damping in the binary pulsar PSR 1913 + 16 and the ongoing experimental search for gravitational waves of extraterrestrial origin have made the theory of gravitational radiation an active branch of classical general relativity. In calculations of gravitational radiation, approximation methods play a crucial role. Recent developments are summarized in two areas in which approximations are important: (a) the quadrupole approxiamtion, which determines the energy flux and the radiation reaction forces in weak-field, slow-motion, source-within-the-near-zone systems such as the binary pulsar; and (b) the normal modes of oscillation of black holes, where the Wentzel-Kramers-Brillouin approximation gives accurate estimates of the complex frequencies of the modes.

Modeling the exhumation path of partially melted ultrahigh-pressure metapelites, North-East Greenland Caledonides

NASA Astrophysics Data System (ADS)

Lang, Helen M.; Gilotti, Jane A.

2015-06-01

Pseudosection modeling constrains the pressure-temperature (P-T) exhumation path of partially melted ultrahigh-pressure (UHP) metapelites exposed in the North-East Greenland UHP terrane. A robust peak P and T estimate of 3.6 GPa and 970 °C based on mineral assemblages in nearby kyanite eclogites is the starting point for the P-T path. Although the peak assemblage for the metapelite is not preserved, the calculated modeled peak assemblage contained substantial clinopyroxene, garnet, phengite, K-feldspar and coesite with minor kyanite and rutile. Combining the pseudosection and observed textures, the decompression path crosses the coesite-quartz transition before reaching the dry phengite dehydration melting reaction where phengite is abruptly consumed. In the range of 2.5 to 2.2 GPa, clinopyroxene is completely consumed and garnet grows to its maximum volume and grossular content, matching the high grossular rims of relict megacrysts. Plagioclase joins the assemblage and the pseudosection predicts up to 12-13 vol.% melt in the supersolidus assemblage, which contained garnet, liquid, K-feldspar, plagioclase, kyanite, quartz and rutile. At this stage, the steep decompression path flattened out and became nearly isobaric. The melt crystallization assemblage that formed when the path crossed the solidus with decreasing temperature contains phengite, garnet, biotite, 2 feldspars, kyanite, quartz and rutile. Therefore, the path must have intersected the solidus at approximately 1.2 GPa, 825 °C. The pseudosection predicts that garnet is consumed on the cooling path, but little evidence of late garnet consumption or other retrograde effects is observed. This may be due to partial melt loss from the rock. Isochemical PT-n and PT-X sections calculated along the P-T path display changes in mineral assemblage and composition that are consistent with preserved assemblages.

On Bernstein type inequalities and a weighted Chebyshev approximation problem on ellipses

NASA Technical Reports Server (NTRS)

Freund, Roland

1989-01-01

A classical inequality due to Bernstein which estimates the norm of polynomials on any given ellipse in terms of their norm on any smaller ellipse with the same foci is examined. For the uniform and a certain weighted uniform norm, and for the case that the two ellipses are not too close, sharp estimates of this type were derived and the corresponding extremal polynomials were determined. These Bernstein type inequalities are closely connected with certain constrained Chebyshev approximation problems on ellipses. Some new results were also presented for a weighted approximation problem of this type.

Approximate Reasoning: Past, Present, Future

DTIC Science & Technology

1990-06-27

This note presents a personal view of the state of the art in the representation and manipulation of imprecise and uncertain information by automated ... processing systems. To contrast their objectives and characteristics with the sound deductive procedures of classical logic, methodologies developed

Family disintegration: one fusarium verticillioides beta-lactamase at a time

USDA-ARS?s Scientific Manuscript database

Fusarium verticillioides is a mycotoxigenic fungus found commonly on maize, where it primarily exhibits asymptomatic endophytic growth. The F. verticillioides genome possesses approximately 30 regions that potentially encode beta-lactamase enzymatic domains. These enzymes are classically involved ...

New device architecture of a thermoelectric energy conversion for recovering low-quality heat

NASA Astrophysics Data System (ADS)

Kim, Hoon; Park, Sung-Geun; Jung, Buyoung; Hwang, Junphil; Kim, Woochul

2014-03-01

Low-quality heat is generally discarded for economic reasons; a low-cost energy conversion device considering price per watt, /W, is required to recover this waste heat. Thin-film based thermoelectric devices could be a superior alternative for this purpose, based on their low material consumption; however, power generated in conventional thermoelectric device architecture is negligible due to the small temperature drop across the thin film. To overcome this challenge, we propose new device architecture, and demonstrate approximately 60 Kelvin temperature differences using a thick polymer nanocomposite. The temperature differences were achieved by separating the thermal path from the electrical path; whereas in conventional device architecture, both electrical charges and thermal energy share same path. We also applied this device to harvest body heat and confirmed its usability as an energy conversion device for recovering low-quality heat.