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Sample records for classical trajectory calculations

  1. Electron impact double ionization of helium from classical trajectory calculations

    CERN Document Server

    Geyer, T

    2004-01-01

    With a recently proposed quasiclassical ansatz [Geyer and Rost, J. Phys. B 35 (2002) 1479] it is possible to perform classical trajectory ionization calculations on many electron targets. The autoionization of the target is prevented by a M\\o{}ller type backward--forward propagation scheme and allows to consider all interactions between all particles without additional stabilization. The application of the quasiclassical ansatz for helium targets is explained and total and partially differential cross sections for electron impact double ionization are calculated. In the high energy regime the classical description fails to describe the dominant TS1 process, which leads to big deviations, whereas for low energies the total cross section is reproduced well. Differential cross sections calculated at 250 eV await their experimental confirmation.

  2. Photodissociation of CCH: Classical trajectory calculations involving seven electronic states

    Science.gov (United States)

    Apaydın, Gökşin; Fink, William H.; Jackson, William M.

    2004-11-01

    The photodissociation dynamics of ethynyl radical, C2H, involving seven electronic states is studied by classical trajectory calculations. Initial values of the trajectories are selected based on relative absorption intensities calculated by Mebel et al. The energies and the derivatives are interpolated by three-dimensional cubic spline interpolator using an extended data pool. Mean square errors and standard deviations in interpolation of energies for 450 data points are found to be in the range 3.1×10-6-1.4×10-5 and 1.7×10-3-3.8×10-3 hartrees, respectively. The photofragments of C2 and H are produced mainly in the X 1Σg+, a 3Πu, b 3Σg-, c 3Σu+, A 1Πu, B 1Δg electronic states of C2 as product. The avoided crossings do not appear to be in the main dissociation pathways. The internal distributions are in good accord with the experimental results where comparison is possible, suggesting that the fragmentation mechanism of C2H2 into C2 and H is a two step process involving C2H radical as an intermediate with a life time long enough to allow complete collection of the phase space in the experiments.

  3. Zero-point energy constraint in quasi-classical trajectory calculations.

    Science.gov (United States)

    Xie, Zhen; Bowman, Joel M

    2006-04-27

    A method to constrain the zero-point energy in quasi-classical trajectory calculations is proposed and applied to the Henon-Heiles system. The main idea of this method is to smoothly eliminate the coupling terms in the Hamiltonian as the energy of any mode falls below a specified value.

  4. Nonadiabatic nuclear dynamics of the ammonia cation studied by surface hopping classical trajectory calculations

    Science.gov (United States)

    Belyaev, Andrey K.; Domcke, Wolfgang; Lasser, Caroline; Trigila, Giulio

    2015-03-01

    The Landau-Zener (LZ) type classical-trajectory surface-hopping algorithm is applied to the nonadiabatic nuclear dynamics of the ammonia cation after photoionization of the ground-state neutral molecule to the excited states of the cation. The algorithm employs a recently proposed formula for nonadiabatic LZ transition probabilities derived from the adiabatic potential energy surfaces. The evolution of the populations of the ground state and the two lowest excited adiabatic states is calculated up to 200 fs. The results agree well with quantum simulations available for the first 100 fs based on the same potential energy surfaces. Three different time scales are detected for the nuclear dynamics: Ultrafast Jahn-Teller dynamics between the excited states on a 5 fs time scale; fast transitions between the excited state and the ground state within a time scale of 20 fs; and relatively slow partial conversion of a first-excited-state population to the ground state within a time scale of 100 fs. Beyond 100 fs, the adiabatic electronic populations are nearly constant due to a dynamic equilibrium between the three states. The ultrafast nonradiative decay of the excited-state populations provides a qualitative explanation of the experimental evidence that the ammonia cation is nonfluorescent.

  5. Nonadiabatic nuclear dynamics of the ammonia cation studied by surface hopping classical trajectory calculations

    CERN Document Server

    Belyaev, Andrey K; Lasser, Caroline; Trigila, Giulio

    2014-01-01

    The Landau--Zener (LZ) type classical-trajectory surface-hopping algorithm is applied to the nonadiabatic nuclear dynamics of the ammonia cation after photoionization of the ground-state neutral molecule to the excited states of the cation. The algorithm employs the recently proposed formula for nonadiabatic LZ transition probabilities derived from the adiabatic potential energy surfaces. The evolution of the populations of the ground state and the two lowest excited adiabatic states is calculated up to 200 fs. The results agree well with quantum simulations available for the first 100 fs based on the same potential energy surfaces. Four different time scales are detected for the nuclear dynamics: Ultrafast Jahn--Teller dynamics between the excited states on a 5 fs time scale; fast transitions between the excited state and the ground state within a time scale of 20 fs; relatively slow partial conversion of a first-excited-state population to the ground state within a time scale of 100 fs; and nearly constant ...

  6. Calculation Of Change-Changing Cross Sections Of IONS Or Atoms Colliding With Fast IONS Using The Classical Trajectory Method

    Energy Technology Data Exchange (ETDEWEB)

    Kaganovich, I. D., Shnidman, Ariel, Mebane, Harrison, Davidson, R.C.

    2008-10-10

    Evaluation of ion-atom charge-changing cross sections is needed for many accelerator applications. A classical trajectory Monte Carlo (CTMC) simulation has been used to calculate ionization and charge exchange cross sections. For benchmarking purposes, an extensive study has been performed for the simple case of hydrogen and helium targets in collisions with various ions. Despite the fact that the simulation only accounts for classical mechanics, the calculations are comparable to experimental results for projectile velocities in the region corresponding to the vicinity of the maximum cross section. Shortcomings of the CTMC method for multielectron target atoms are discussed.

  7. Classical trajectory Monte Carlo model calculations for the antiproton-induced ionization of atomic hydrogen at low impact energy

    CERN Document Server

    Sarkadi, L

    2015-01-01

    The three-body dynamics of the ionization of the atomic hydrogen by 30 keV antiproton impact has been investigated by calculation of fully differential cross sections (FDCS) using the classical trajectory Monte Carlo (CTMC) method. The results of the calculations are compared with the predictions of quantum mechanical descriptions: The semi-classical time-dependent close-coupling theory, the fully quantal, time-independent close-coupling theory, and the continuum-distorted-wave-eikonal-initial-state model. In the analysis particular emphasis was put on the role of the nucleus-nucleus (NN) interaction played in the ionization process. For low-energy electron ejection CTMC predicts a large NN interaction effect on FDCS, in agreement with the quantum mechanical descriptions. By examining individual particle trajectories it was found that the relative motion between the electron and the nuclei is coupled very weakly with that between the nuclei, consequently the two motions can be treated independently. A simple ...

  8. Classical trajectory Monte Carlo model calculations for ionization of the uracil molecule by impact of heavy ions

    Science.gov (United States)

    Sarkadi, L.

    2016-09-01

    The ionization of the uracil molecule induced by heavy-ion impact has been investigated using the classical trajectory Monte Carlo (CTMC) method. Assuming the validity of the independent-particle model approximation, the collision problem is solved by considering the three-body dynamics of the projectile, an active electron and the molecule core. The interaction of the molecule core with the other two particles is described by a multi-center potential built from screened atomic potentials. The cross section differential with respect to the energy and angle of the electrons ejected in the ionization process has been calculated for an impact of 3.5 MeV u-1 {{{C}}}6+ ions. Total electron emission cross sections (TCS) are presented for {{{C}}}q+ (q=0-6) and {{{O}}}6+ projectiles as a function of the impact energy in the range from 10 keV u-1 to 10 MeV u-1. The dependence of the TCS on the charge state of the projectile has been investigated for 2.5 MeV u-1 {{{O}}}q+ (q=4-8) and {{{F}}}q+ (q=5-9) ions. The results of the calculations are compared with available experimental data and the predictions of other theoretical models: the first Born approximation with correct boundary conditions (CB1), the continuum-distorted-wave-eikonal-initial-state approach (CDW-EIS), and the combined classical-trajectory Monte Carlo-classical over-the-barrier model (CTMC-COB).

  9. Classical Trajectories and Quantum Spectra

    Science.gov (United States)

    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.

  10. A Classical Trajectory Calculation of the O + H2 Yields OH + H Cross Sections.

    Science.gov (United States)

    1982-04-12

    threshold for calculating the total reactive cross sections a (V; v,j) by Eq. (5) in the texto .. ...... - o o... o... o....... o...Collisions," in Atom-Molecule Collision Theory, R. B. Bernstein, editor , Plenum Press, New York (1979). Chapter 22. 11. R. D. Levine and R. B. Bernstein...34Thermodynamic Approach to Collision Processes," in Modern Theoretical Chemistry, Vol. 2, Part B, W. H. Miller, editor , Plenum Press, New York (1976

  11. Classical trajectories and quantum tunneling

    CERN Document Server

    Ivlev, B I

    2003-01-01

    The problem of inter-band tunneling in a semiconductor (Zener breakdown) in a nonstationary and homogeneous electric field is solved exactly. Using the exact analytical solution, the approximation based on classical trajectories is studied. A new mechanism of enhanced tunneling through static non-one-dimensional barriers is proposed in addition to well known normal tunneling solely described by a trajectory in imaginary time. Under certain conditions on the barrier shape and the particle energy, the probability of enhanced tunneling is not exponentially small even for non-transparent barriers, in contrast to the case of normal tunneling.

  12. Simulation of molecular transitions using classical trajectories

    Energy Technology Data Exchange (ETDEWEB)

    Donoso, A.; Martens, C. C. [University of California, California (United States)

    2001-03-01

    In the present work, we describe the implementation of a semiclassical method to study physical-chemical processes in molecular systems where electronic state transitions and quantum coherence play a dominant role. The method is based on classical trajectory propagation on the underlying coupled electronic surfaces and is derived from the semiclassical limit of the quantum Liouville equation. Unlike previous classical trajectory-based methods, quantum electronic coherence are treated naturally within this approach as complex weighted trajectory ensembles propagating on the average electronic surfaces. The method is tested on a model problem consisting of one-dimensional motion on two crossing electronic surfaces. Excellent agreement is obtained when compared to the exact results obtained by wave packet propagation. The method is applied to model quantum wave packet interferometry, where two wave packets, differing only in a relative phase, collide in the region where the two electronic surfaces cross. The dependence of the resulting population transfer on the initial relative phase of the wave packets is perfectly captured by our classical trajectory method. Comparison with an alternative method, surface hopping, shows that our approach is appropriate for modelling quantum interference phenomena. [Spanish] En este trabajo se describe la implementacion de un metodo semiclasico para estudiar procesos fisicos-quimicos en sistemas moleculares donde las transiciones entre estados electronicos y las coherencias cuanticas juegan un papel predominante. El metodo se basa en la propagacion de trayectorias clasicas sobre las correspondientes superficies electronicas acopladas y se deriva a partir del limite semiclasico de la ecuacion cuantica de Liouville. A diferencia de metodos previos basados en trayectoria clasica, dentro de este esquema, las coherencias electronicas cuanticas son tratadas de manera natural como ensamble de trayectorias con pesos complejos, moviendose en

  13. Bohmian trajectory from the "classical" Schrödinger equation.

    Science.gov (United States)

    Sengupta, Santanu; Khatua, Munmun; Chattaraj, Pratim Kumar

    2014-12-01

    The quantum-classical correspondence is studied for a periodically driven quartic oscillator exhibiting integrable and chaotic dynamics, by studying the Bohmian trajectory of the corresponding "classical" Schrödinger equation. Phase plots and the Kolmogorov-Sinai entropy are computed and compared with the classical trajectory as well as the Bohmian trajectory obtained from the time dependent Schrödinger equation. Bohmian mechanics at the classical limit appears to mimick the behavior of a dissipative dynamical system.

  14. Decoherence and the Branching of Chaos-less Classical Trajectory

    CERN Document Server

    Ishikawa, Takuji

    2016-01-01

    This study was started to know mysterious classicality of nuclei. This time, I found a new rule for decoherence. I used a model without chaos. As a result, it was shown that not only the intersection of classical trajectories but also branching of classical trajectories are needed for decoherence. In other words, it was shown that interactions between a main system and environments have to make enough branchings of classical trajectories of the main system for decoherence.

  15. Efficient Calculation of Earth Penetrating Projectile Trajectories

    Science.gov (United States)

    2006-09-01

    CALCULATION OF EARTH PENETRATING PROJECTILE TRAJECTORIES by Daniel F . Youch September 2006 Thesis Advisor: Joshua Gordis... Daniel F . Youch 5. FUNDING NUMBERS 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) Naval Postgraduate School Monterey, CA 93943-5000 8. PERFORMING...EFFICIENT CALCULATION OF EARTH PENETRATING PROJECTILE TRAJECTORIES Daniel F . Youch Lieutenant Commander, United States Navy B.S., Temple

  16. A model for explaining fusion suppression using classical trajectory method

    Science.gov (United States)

    Phookan, C. K.; Kalita, K.

    2015-01-01

    We adopt a semi-classical approach for explanation of projectile breakup and above barrier fusion suppression for the reactions 6Li+152Sm and 6Li+144Sm. The cut-off impact parameter for fusion is determined by employing quantum mechanical ideas. Within this cut-off impact parameter for fusion, the fraction of projectiles undergoing breakup is determined using the method of classical trajectory in two-dimensions. For obtaining the initial conditions of the equations of motion, a simplified model of the 6Li nucleus has been proposed. We introduce a simple formula for explanation of fusion suppression. We find excellent agreement between the experimental and calculated fusion cross section. A slight modification of the above formula for fusion suppression is also proposed for a three-dimensional model.

  17. A model for explaining fusion suppression using classical trajectory method

    Directory of Open Access Journals (Sweden)

    Phookan C. K.

    2015-01-01

    Full Text Available We adopt a semi-classical approach for explanation of projectile breakup and above barrier fusion suppression for the reactions 6Li+152Sm and 6Li+144Sm. The cut-off impact parameter for fusion is determined by employing quantum mechanical ideas. Within this cut-off impact parameter for fusion, the fraction of projectiles undergoing breakup is determined using the method of classical trajectory in two-dimensions. For obtaining the initial conditions of the equations of motion, a simplified model of the 6Li nucleus has been proposed. We introduce a simple formula for explanation of fusion suppression. We find excellent agreement between the experimental and calculated fusion cross section. A slight modification of the above formula for fusion suppression is also proposed for a three-dimensional model.

  18. Effects of complex parameters on classical trajectories of Hamiltonian systems

    Indian Academy of Sciences (India)

    Asiri Nanayakkara; Thilagarajah Mathanaranjan

    2014-06-01

    Anderson et al have shown that for complex energies, the classical trajectories of real quartic potentials are closed and periodic only on a discrete set of eigencurves. Moreover, recently it was revealed that when time is complex $t(t = t_r e^{i_})$, certain real Hermitian systems possess close periodic trajectories only for a discrete set of values of . On the other hand, it is generally true that even for real energies, classical trajectories of non-PT symmetric Hamiltonians with complex parameters are mostly non-periodic and open. In this paper, we show that for given real energy, the classical trajectories of complex quartic Hamiltonians $H = p^2 + ax^4 + bx^k$ (where is real, is complex and = 1 or 2) are closed and periodic only for a discrete set of parameter curves in the complex -plane. It was further found that given complex parameter , the classical trajectories are periodic for a discrete set of real energies (i.e., classical energy gets discretized or quantized by imposing the condition that trajectories are periodic and closed). Moreover, we show that for real and positive energies (continuous), the classical trajectories of complex Hamiltonian $H = p^2 + x^4$, ($= _r$ e$^{i}$) are periodic when $ = 4 \\tan^{−1}$[($n/(2m + n)$)] for $\\forall n$ and $m \\mathbb{Z}$.

  19. Locating transition states using double-ended classical trajectories

    CERN Document Server

    Matro, A; Doll, J D

    1994-01-01

    In this paper we present a method for locating transition states and higher-order saddles on potential energy surfaces using double-ended classical trajectories. We then apply this method to 7- and 8-atom Lennard-Jones clusters, finding one previously unreported transition state for the 7-atom cluster and two for the 8-atom cluster.

  20. Classical stochastic measurement trajectories: Bosonic atomic gases in an optical cavity and quantum measurement backaction

    Science.gov (United States)

    Lee, Mark D.; Ruostekoski, Janne

    2014-08-01

    We formulate computationally efficient classical stochastic measurement trajectories for a multimode quantum system under continuous observation. Specifically, we consider the nonlinear dynamics of an atomic Bose-Einstein condensate contained within an optical cavity subject to continuous monitoring of the light leaking out of the cavity. The classical trajectories encode within a classical phase-space representation a continuous quantum measurement process conditioned on a given detection record. We derive a Fokker-Planck equation for the quasiprobability distribution of the combined condensate-cavity system. We unravel the dynamics into stochastic classical trajectories that are conditioned on the quantum measurement process of the continuously monitored system. Since the dynamics of a continuously measured observable in a many-atom system can be closely approximated by classical dynamics, the method provides a numerically efficient and accurate approach to calculate the measurement record of a large multimode quantum system. Numerical simulations of the continuously monitored dynamics of a large atom cloud reveal considerably fluctuating phase profiles between different measurement trajectories, while ensemble averages exhibit local spatially varying phase decoherence. Individual measurement trajectories lead to spatial pattern formation and optomechanical motion that solely result from the measurement backaction. The backaction of the continuous quantum measurement process, conditioned on the detection record of the photons, spontaneously breaks the symmetry of the spatial profile of the condensate and can be tailored to selectively excite collective modes.

  1. Classical Trajectories for two Ring-Shaped Potentials

    CERN Document Server

    Kibler, M R; Winternitz, Pavel

    1992-01-01

    This paper deals with the classical trajectories for two super-integrable systems: a system known in quantum chemistry as the Hartmann system and a system of potential use in quantum chemistry and nuclear physics. Both systems correspond to ring-shaped potentials. They admit two maximally super-integrable systems as limiting cases, viz, the isotropic harmonic oscillator system and the Coulomb-Kepler system in three dimensions. The planarity of the trajectories is studied in a systematic way. In general, the trajectories are quasi-periodic rather than periodic. A constraint condition allows to pass from quasi-periodic motions to periodic ones. When written in a quantum mechanical context, this constraint condition leads to new accidental degeneracies for the two systems studied.

  2. Photon trajectories, anomalous velocities, and weak measurements: A classical interpretation

    CERN Document Server

    Bliokh, Konstantin Y; Nori, Franco

    2013-01-01

    Recently, Kocsis et al. reported the observation of "average trajectories of single photons" in a two-slit interference experiment [Science 332, 1170 (2011)]. This was possible by using the quantum weak-measurements method, which implies averaging over many events, i.e., in fact, a multi-photon limit of classical optics. We give a classical-optics interpretation to this experiment and other related problems. It appears that weak measurements of the local momentum of photons made by Kocsis et al. represent measurements of the Poynting vector in an optical field. We consider both the real and imaginary parts of the local momentum, and show that their measurements have been realized in classical optics using small probe particles. We also examine the appearance of "anomalous" values of the local momentum: either negative (backflow) or exceeding the wavenumber (superluminal propagation). These features appear to be closely related to vortices and evanescent waves. Finally, we revisit a number of older works and f...

  3. Trajectory Calculation as Forecasting Support Tool for Dust Storms

    Directory of Open Access Journals (Sweden)

    Sultan Al-Yahyai

    2014-01-01

    Full Text Available In arid and semiarid regions, dust storms are common during windy seasons. Strong wind can blow loose sand from the dry surface. The rising sand and dust is then transported to other places depending on the wind conditions (speed and direction at different levels of the atmosphere. Considering dust as a moving object in space and time, trajectory calculation then can be used to determine the path it will follow. Trajectory calculation is used as a forecast supporting tool for both operational and research activities. Predefined dust sources can be identified and the trajectories can be precalculated from the Numerical Weather Prediction (NWP forecast. In case of long distance transported dust, the tool should allow the operational forecaster to perform online trajectory calculation. This paper presents a case study for using trajectory calculation based on NWP models as a forecast supporting tool in Oman Meteorological Service during some dust storm events. Case study validation results showed a good agreement between the calculated trajectories and the real transport path of the dust storms and hence trajectory calculation can be used at operational centers for warning purposes.

  4. State-specific tunneling lifetimes from classical trajectories: H-atom dissociation in electronically excited pyrrole

    Science.gov (United States)

    Xie, Weiwei; Domcke, Wolfgang; Farantos, Stavros C.; Grebenshchikov, Sergy Yu.

    2016-03-01

    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 1B1 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 the 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.

  5. Communication: The correct interpretation of surface hopping trajectories: How to calculate electronic properties

    Energy Technology Data Exchange (ETDEWEB)

    Landry, Brian R.; Falk, Martin J.; Subotnik, Joseph E. [Department of Chemistry, University of Pennsylvania, 231 S. 34th Street, Philadelphia, Pennsylvania 19104 (United States)

    2013-12-07

    In a recent paper, we presented a road map for how Tully's fewest switches surface hopping (FSSH) algorithm can be derived, under certain circumstances, from the mixed quantum-classical Liouville equation. In this communication, we now demonstrate how this new interpretation of surface hopping can yield significantly enhanced results for electronic properties in nonadiabatic calculations. Specifically, we calculate diabatic populations for the spin-boson problem using FSSH trajectories. We show that, for some Hamiltonians, without changing the FSSH algorithm at all but rather simply reinterpreting the ensemble of surface hopping trajectories, we recover excellent results and remove any and all ambiguity about the initial condition problem.

  6. Trajectory description of the quantum–classical transition for wave packet interference

    Energy Technology Data Exchange (ETDEWEB)

    Chou, Chia-Chun, E-mail: ccchou@mx.nthu.edu.tw

    2016-08-15

    The quantum–classical transition for wave packet interference is investigated using a hydrodynamic description. A nonlinear quantum–classical transition equation is obtained by introducing a degree of quantumness ranging from zero to one into the classical time-dependent Schrödinger equation. This equation provides a continuous description for the transition process of physical systems from purely quantum to purely classical regimes. In this study, the transition trajectory formalism is developed to provide a hydrodynamic description for the quantum–classical transition. The flow momentum of transition trajectories is defined by the gradient of the action function in the transition wave function and these trajectories follow the main features of the evolving probability density. Then, the transition trajectory formalism is employed to analyze the quantum–classical transition of wave packet interference. For the collision-like wave packet interference where the propagation velocity is faster than the spreading speed of the wave packet, the interference process remains collision-like for all the degree of quantumness. However, the interference features demonstrated by transition trajectories gradually disappear when the degree of quantumness approaches zero. For the diffraction-like wave packet interference, the interference process changes continuously from a diffraction-like to collision-like case when the degree of quantumness gradually decreases. This study provides an insightful trajectory interpretation for the quantum–classical transition of wave packet interference.

  7. Classical MD calculations with parallel computers

    Energy Technology Data Exchange (ETDEWEB)

    Matsumoto, Mitsuhiro [Nagoya Univ. (Japan)

    1998-03-01

    We have developed parallel computation codes for a classical molecular dynamics (MD) method. In order to use them on work station clusters as well as parallel super computers, we use MPI (message passing interface) library for distributed-memory type computers. Two algorithms are compared: (1) particle parallelism technique: easy to install, effective for rather small number of processors. (2) region parallelism technique: take some time to install, effective even for many nodes. (J.P.N.)

  8. Comparison of classical and quantal calculations of helium three-body recombination

    CERN Document Server

    Pérez-Ríos, Jesús; Wang, Jia; Greene, Chris H

    2013-01-01

    A general method to study classical scattering in $n$-dimension is developed. Through classical trajectory calculations, the three-body recombination is computed as a function of the collision energy for helium atoms, as an example. Quantum calculations are also performed for the $J^{\\Pi}$ = $0^{+}$ symmetry of the three-body recombination rate in order to compare with the classical results, yielding good agreement for $E\\gtrsim$ 1 K. The classical threshold law is derived and numerically confirmed for the Newtonian three-body recombination rate. Finally, a relationship is found between the quantum and classical three-body hard hypersphere elastic cross sections which is analogous to the well-known shadow scattering in two-body collisions.

  9. Classical trajectory Monte Carlo investigation for Lorentz ionization of H (1s)

    Institute of Scientific and Technical Information of China (English)

    He Bin; Wang Jian-Guo; Liu Chun-Lei

    2013-01-01

    Lorentz ionization of H(1s) is investigated by classical trajectory Monte Carlo (CTMC) simulation.The effect of the transverse magnetic field on the considered process is analyzed in terms of the time evolution of interactions in the system,total electron energy,and electron trajectories.A classical mechanism for the ionization is found,where the variation of the kinetic energy of the nuclei is found to be important in the process.Compared with the results of tunneling ionization,the classical mechanism becomes more and more important with the increase of the velocity of the H-atom or the strength of the magnetic field.

  10. Rapid Calculation of Spacecraft Trajectories Using Efficient Taylor Series Integration

    Science.gov (United States)

    Scott, James R.; Martini, Michael C.

    2011-01-01

    A variable-order, variable-step Taylor series integration algorithm was implemented in NASA Glenn's SNAP (Spacecraft N-body Analysis Program) code. SNAP is a high-fidelity trajectory propagation program that can propagate the trajectory of a spacecraft about virtually any body in the solar system. The Taylor series algorithm's very high order accuracy and excellent stability properties lead to large reductions in computer time relative to the code's existing 8th order Runge-Kutta scheme. Head-to-head comparison on near-Earth, lunar, Mars, and Europa missions showed that Taylor series integration is 15.8 times faster than Runge- Kutta on average, and is more accurate. These speedups were obtained for calculations involving central body, other body, thrust, and drag forces. Similar speedups have been obtained for calculations that include J2 spherical harmonic for central body gravitation. The algorithm includes a step size selection method that directly calculates the step size and never requires a repeat step. High-order Taylor series integration algorithms have been shown to provide major reductions in computer time over conventional integration methods in numerous scientific applications. The objective here was to directly implement Taylor series integration in an existing trajectory analysis code and demonstrate that large reductions in computer time (order of magnitude) could be achieved while simultaneously maintaining high accuracy. This software greatly accelerates the calculation of spacecraft trajectories. At each time level, the spacecraft position, velocity, and mass are expanded in a high-order Taylor series whose coefficients are obtained through efficient differentiation arithmetic. This makes it possible to take very large time steps at minimal cost, resulting in large savings in computer time. The Taylor series algorithm is implemented primarily through three subroutines: (1) a driver routine that automatically introduces auxiliary variables and

  11. A model for explaining fusion suppression using the classical trajectory method

    Science.gov (United States)

    Phookan, C. K.; Kalita, K.

    2013-12-01

    A two-dimensional classical trajectory model is used to explain the projectile breakup and above-barrier fusion suppression for the reactions 6Li+209Bi, 6Li+152Sm and 6Li+144Sm. To obtain the initial conditions of the equations of motion, a simplified model of the 6Li nucleus has been developed. Numerical solutions of the equations lead to the classification of orbits into breakup and no-breakup trajectories. The breakup fraction is studied as a function of the impact parameter. Using quantum mechanical arguments, the cut-off impact parameter for fusion is determined by proposing a sharp cut-off model which assumes that there is an angular momentum limit to fusion. We introduce a simple formula for the explanation of fusion suppression, according to which fusion suppression is given by the average of the breakup fractions evaluated at impact parameters ranging from head-on collision up to the cut-off impact parameter. We find that there is excellent agreement between the experimental fusion cross section (σexp) and the calculated fusion cross section (σcal) for the systems studied.

  12. Classical trajectory perspective of atomic ionization in strong laser fields semiclassical modeling

    CERN Document Server

    Liu, Jie

    2014-01-01

    The ionization of atoms and molecules in strong laser fields is an active field in modern physics and has versatile applications in such as attosecond physics, X-ray generation, inertial confined fusion (ICF), medical science and so on. Classical Trajectory Perspective of Atomic Ionization in Strong Laser Fields covers the basic concepts in this field and discusses many interesting topics using the semiclassical model of classical trajectory ensemble simulation, which is one of the most successful ionization models and has the advantages of a clear picture, feasible computing and accounting for many exquisite experiments quantitatively. The book also presents many applications of the model in such topics as the single ionization, double ionization, neutral atom acceleration and other timely issues in strong field physics, and delivers useful messages to readers with presenting the classical trajectory perspective on the strong field atomic ionization. The book is intended for graduate students and researchers...

  13. Trajectory Calculator for Finite-Radius Cutter on a Lathe

    Science.gov (United States)

    Savchenkov, Anatoliy; Strekalov, Dmitry; Yu, Nan

    2009-01-01

    A computer program calculates the two-dimensional trajectory (radial vs. axial position) of a finite-radius-of-curvature cutting tool on a lathe so as to cut a workpiece to a piecewise-continuous, analytically defined surface of revolution. (In the original intended application, the tool is a diamond cutter, and the workpiece is made of a crystalline material and is to be formed into an optical resonator disk.) The program also calculates an optimum cutting speed as F/L, where F is a material-dependent empirical factor and L is the effective instantaneous length of the cutting edge.

  14. Classical trajectory simulations of post-transition state dynamics

    Science.gov (United States)

    Lourderaj, Upakarasamy; Park, Kyoyeon; Hase, William L.

    Classical chemical dynamics simulations of post-transition state dynamics are reviewed. Most of the simulations involve direct dynamics for which the potential energy and gradient are obtained directly from an electronic structure theory. The chemical reaction attributes and chemical systems presented are product energy partitioning for Cl- ··· CH3Br → ClCH3 + Br- and C2H5F → C2H4 + HF dissociation, non-RRKM dynamics for cyclopropane stereomutation and the Cl- ··· CH3Cl complexes mediating the Cl- + CH3Cl SN2 nucleophilic substitution reaction, and non-IRC dynamics for the OH- + CH3F and F- + CH3OOH chemical reactions. These studies illustrate the important role of chemical dynamics simulations in understanding atomic-level reaction dynamics and interpreting experiments. They also show that widely used paradigms and model theories for interpreting reaction kinetics and dynamics are often inaccurate and are not applicable.

  15. A semiclassical model for the calculation of nonadiabatic transition probabilities for classically forbidden transitions.

    Science.gov (United States)

    Dang, Phuong-Thanh; Herman, Michael F

    2009-02-01

    A semiclassical surface hopping model is presented for the calculation of nonadiabatic transition probabilities for the case in which the avoided crossing point is in the classically forbidden regions. The exact potentials and coupling are replaced with simple functional forms that are fitted to the values, evaluated at the turning point in the classical motion, of the Born-Oppenheimer potentials, the nonadiabatic coupling, and their first few derivatives. For the one-dimensional model considered, reasonably accurate results for transition probabilities are obtained down to around 10(-10). The possible extension of this model to many dimensional problems is discussed. The fact that the model requires only information at the turning point, a point that the trajectories encounter would be a significant advantage in many dimensional problems over Landau-Zener type models, which require information at the avoided crossing seam, which is in the forbidden region where the trajectories do not go.

  16. Dividing line between quantum and classical trajectories in a measurement problem: Bohmian time constant.

    Science.gov (United States)

    Nassar, Antonio B; Miret-Artés, Salvador

    2013-10-11

    This Letter proposes an answer to a challenge posed by Bell on the lack of clarity in regards to the dividing line between the quantum and classical regimes in a measurement problem. To this end, a generalized logarithmic nonlinear Schrödinger equation is proposed to describe the time evolution of a quantum dissipative system under continuous measurement. Within the Bohmian mechanics framework, a solution to this equation reveals a novel result: it displays a time constant that should represent the dividing line between the quantum and classical trajectories. It is shown that continuous measurements and damping not only disturb the particle but compel the system to converge in time to a Newtonian regime. While the width of the wave packet may reach a stationary regime, its quantum trajectories converge exponentially in time to classical trajectories. In particular, it is shown that damping tends to suppress further quantum effects on a time scale shorter than the relaxation time of the system. If the initial wave packet width is taken to be equal to 2.8×10(-15) m (the approximate size of an electron), the Bohmian time constant is found to have an upper limit, i.e., τ(Bmax)=10(-26) s.

  17. Mixed quantum/classical investigation of the photodissociation of NH3(A) and a practical method for maintaining zero-point energy in classical trajectories.

    Science.gov (United States)

    Bonhommeau, David; Truhlar, Donald G

    2008-07-07

    The photodissociation dynamics of ammonia upon excitation of the out-of-plane bending mode (mode nu(2) with n(2)=0,[ellipsis (horizontal)],6 quanta of vibration) in the A electronic state is investigated by means of several mixed quantum/classical methods, and the calculated final-state properties are compared to experiments. Five mixed quantum/classical methods are tested: one mean-field approach (the coherent switching with decay of mixing method), two surface-hopping methods [the fewest switches with time uncertainty (FSTU) and FSTU with stochastic decay (FSTU/SD) methods], and two surface-hopping methods with zero-point energy (ZPE) maintenance [the FSTUSD+trajectory projection onto ZPE orbit (TRAPZ) and FSTUSD+minimal TRAPZ (mTRAPZ) methods]. We found a qualitative difference between final NH(2) internal energy distributions obtained for n(2)=0 and n(2)>1, as observed in experiments. Distributions obtained for n(2)=1 present an intermediate behavior between distributions obtained for smaller and larger n(2) values. The dynamics is found to be highly electronically nonadiabatic with all these methods. NH(2) internal energy distributions may have a negative energy tail when the ZPE is not maintained throughout the dynamics. The original TRAPZ method was designed to maintain ZPE in classical trajectories, but we find that it leads to unphysically high internal vibrational energies. The mTRAPZ method, which is new in this work and provides a general method for maintaining ZPE in either single-surface or multisurface trajectories, does not lead to unphysical results and is much less time consuming. The effect of maintaining ZPE in mixed quantum/classical dynamics is discussed in terms of agreement with experimental findings. The dynamics for n(2)=0 and n(2)=6 are also analyzed to reveal details not available from experiment, in particular, the time required for quenching of electronic excitation and the adiabatic energy gap and geometry at the time of quenching.

  18. Torpedo's Search Trajectory Design Based on Acquisition and Hit Probability Calculation

    Institute of Scientific and Technical Information of China (English)

    LI Wen-zhe; ZHANG Yu-wen; FAN Hui; WANG Yong-hu

    2008-01-01

    Taking aim at light torpedo search trajectory characteristic of warship, by analyzing common used torpedo search trajectory, a better torpedo search trajectory is designed, a mathematic model is built up, and the simulation calculation taking MK46 torpedo for example is carried out. The calculation results testify that this method can increase acquisition probability and hit probability by about 10%-30% at some situations and becomes feasible for the torpedo trajectory design. The research is of great reference value for the acoustic homing torpedo trajectory design and the torpedo combat efficiency research.

  19. Calculation of trajectory parameters of long pass in basketball.

    Directory of Open Access Journals (Sweden)

    Charikova K.M.

    2011-08-01

    Full Text Available Values of a ball's flight trajectory parameters depending on a distance of long pass, a corner of a ball's start and height of a throwing point are submitted in article. Coordinates of reference points installation for training to long pass with an optimum trajectory of a ball's flight are designed. Requirements to simulators design are determined. Corners of ball's long pass performance in various game situations are recommended.

  20. Ab initio direct classical trajectory investigation on the SN2 reaction of F- with NH2F: nonstatistical central barrier recrossing dynamics.

    Science.gov (United States)

    Yu, Feng

    2012-02-05

    The bimolecular nucleophilic substitution (S(N)2) reaction of F(a)(-) with NH(2)F(b) has been investigated with the ab initio direct classical trajectory method. According to our trajectory calculations, a dynamic behavior of nonstatistical central barrier recrossing is revealed. Among the 64 trajectories calculated in this work, 45 trajectories follow the dynamic reaction pathways as assumed by statistical theory and other 19 trajectories with central barrier recrossings are nonstatistical. For the nonstatistical trajectories, the central barrier recrossings may originate from the inefficient kinetic energy transfer from the intramolecular modes of the NH(2)F(a) moiety in the dynamic F(b)(-)…H-NH-F(a) complex to the intermolecular modes of the dynamic F(b)(-)…H-NH-F(a) complex on the exit-channel potential energy surface. With respect to the dynamic behavior of the nonstatistical central barrier recrossing, the statistical theories such as the Rice-Ramsperger-Kassel-Marcus and transition state theories without further corrections cannot be used to model the reaction kinetics for this S(N)2 reaction.

  1. Classic Calculations of Static Properties of the Nucleons revisited

    CERN Document Server

    Nasrallah, N F

    2016-01-01

    Classic calculations of the magnetic moments mu_p and mu_n of the nucleons using the traditional exponential kernel show instability with respect to variations of the Borel mass as well as arbitrariness with respect to the choice of the onset of perturbative QCD. The use of a polynomial kernel, the coefficients of which are determined by the masses of the nucleon resonances stabilizes the calculation and provides much better damping of the unknown contribution of the nucleon continuum. The method is also applied to the evaluation of the coupling gA of proton to the axial current and to the strong part of the neutron-proton mass difference Delta M_np. All these quantities depend sensitively on the value of the 4-quark condensate and the value ~ 1.5^2 reproduces the experimental results.

  2. An hydrodynamic model for the calculation of oil spills trajectories

    Energy Technology Data Exchange (ETDEWEB)

    Paladino, Emilio Ernesto; Maliska, Clovis Raimundo [Santa Catarina Univ., Florianopolis, SC (Brazil). Dept. de Engenharia Mecanica. Lab. de Dinamica dos Fluidos Computacionais]. E-mails: emilio@sinmec.ufsc.br; maliska@sinmec.ufsc.br

    2000-07-01

    The aim of this paper is to present a mathematical model and its numerical treatment to forecast oil spills trajectories in the sea. The knowledge of the trajectory followed by an oil slick spilled on the sea is of fundamental importance in the estimation of potential risks for pipeline and tankers route selection, and in combating the pollution using floating barriers, detergents, etc. In order to estimate these slicks trajectories a new model, based on the mass and momentum conservation equations is presented. The model considers the spreading in the regimes when the inertial and viscous forces counterbalance gravity and takes into account the effects of winds and water currents. The inertial forces are considered for the spreading and the displacement of the oil slick, i.e., is considered its effects on the movement of the mass center of the slick. The mass loss caused by oil evaporation is also taken into account. The numerical model is developed in generalized coordinates, making the model easily applicable to complex coastal geographies. (author)

  3. Oscillatory reaction cross sections caused by normal mode sampling in quasiclassical trajectory calculations

    Energy Technology Data Exchange (ETDEWEB)

    Nagy, Tibor; Vikár, Anna; Lendvay, György, E-mail: lendvay.gyorgy@ttk.mta.hu [Institute of Materials and Environmental Chemistry, Research Centre for Natural Sciences, Hungarian Academy of Sciences, Magyar tudósok körútja 2., H-1117 Budapest (Hungary)

    2016-01-07

    The quasiclassical trajectory (QCT) method is an efficient and important tool for studying the dynamics of bimolecular reactions. In this method, the motion of the atoms is simulated classically, and the only quantum effect considered is that the initial vibrational states of reactant molecules are semiclassically quantized. A sensible expectation is that the initial ensemble of classical molecular states generated this way should be stationary, similarly to the quantum state it is supposed to represent. The most widely used method for sampling the vibrational phase space of polyatomic molecules is based on the normal mode approximation. In the present work, it is demonstrated that normal mode sampling provides a nonstationary ensemble even for a simple molecule like methane, because real potential energy surfaces are anharmonic in the reactant domain. The consequences were investigated for reaction CH{sub 4} + H → CH{sub 3} + H{sub 2} and its various isotopologs and were found to be dramatic. Reaction probabilities and cross sections obtained from QCT calculations oscillate periodically as a function of the initial distance of the colliding partners and the excitation functions are erratic. The reason is that in the nonstationary ensemble of initial states, the mean bond length of the breaking C–H bond oscillates in time with the frequency of the symmetric stretch mode. We propose a simple method, one-period averaging, in which reactivity parameters are calculated by averaging over an entire period of the mean C–H bond length oscillation, which removes the observed artifacts and provides the physically most reasonable reaction probabilities and cross sections when the initial conditions for QCT calculations are generated by normal mode sampling.

  4. Quasi-classical trajectory approach to the stereo-dynamics of the reaction F+HO→HF+O

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Quasi-classical trajectory (QCT) calculations are employed for the reaction F + HO(0,0)→HF + O based on the adiabatic potential energy surface (PES) of the ground 3A″triplet state. The average rotational alignment factor as a function of collision energy and the four polarization dependent generalized differential cross sections have been calculated in the center-of-mass (CM) frame, separately. The distribution P(θr) of the angle between k and j′, the distribution P(θr) of dihedral angle denoting k-k′-j′ correlation, and the angular distribution P(θr, Φr) of product rotational vectors in the form of polar plots are calculated as well. The effect of Heavy-Light-Heavy (HLH) mass combination and atom F’s relatively strong absorbability to charges on the alignment and the orientation of product molecule HF rotational angular momentum vectors j′ is revealed.

  5. Mixed time-dependent density-functional theory/classical trajectory surface hopping study of oxirane photochemistry

    NARCIS (Netherlands)

    Tapavicza, Enrico; Tavernelli, Ivano; Rothlisberger, Ursula; Filippi, Claudia; Casida, Mark E.

    2008-01-01

    We present a mixed time-dependent density-functional theory (TDDFT)/classical trajectory surface hopping (SH) study of the photochemical ring opening in oxirane. Previous preparatory work limited to the symmetric CC ring-opening pathways of oxirane concluded that the Tamm-Dancoff approximation (TDA)

  6. Enzymatic minimum free energy path calculations using swarms of trajectories.

    Science.gov (United States)

    Sanchez-Martinez, Melchor; Field, Martin; Crehuet, Ramon

    2015-01-22

    The development of approaches for simulating rare events in complex molecular systems is a central concern in chemical physics. In recent work, Roux and co-workers proposed a novel, swarms of trajectories (SoT) method for determining the transition paths of such events. It consists of the dynamical refinement on the system's free energy surface of a putative transition path that is parametrized in terms of a set of collective variables (CVs) that are identified as being important for the transition. In this work, we have implemented the SoT method and used it to investigate the catalytic mechanisms of two enzymatic reactions using hybrid QM/MM potentials. Our aim has been to test the performance of SoT for enzyme systems and to devise robust simulation protocols that can be employed in future studies of this type. We identify the conditions under which converged results can be obtained using inertial and Brownian dynamical evolutions of the CVs, show that the inclusion of several CVs can give significant additional insight into the mechanisms of the reactions, and show that the use of minimum energy paths as starting guesses can greatly accelerate path refinement.

  7. Calculating tumor trajectory and dose-of-the-day using cone-beam CT projections

    CERN Document Server

    Jones, Bernard L; Miften, Moyed

    2015-01-01

    Purpose: Cone-beam CT (CBCT) projection images provide anatomical data in real-time over several respiratory cycles, forming a comprehensive picture of tumor movement. We developed and validated a method which uses these projections to determine the trajectory of and dose to highly mobile tumors during each fraction of treatment. Methods: CBCT images of a respiration phantom were acquired, the trajectory of which mimicked a lung tumor with high amplitude (up to 2.5 cm) and hysteresis. A template-matching algorithm was used to identify the location of a steel BB in each CBCT projection, and a Gaussian probability density function for the absolute BB position was calculated which best fit the observed trajectory of the BB in the imager geometry. Two modifications of the trajectory reconstruction were investigated: first, using respiratory phase information to refine the trajectory estimation (Phase), and second, using the Monte Carlo (MC) method to sample the estimated Gaussian tumor position distribution. Resu...

  8. Semiclassical wave functions in billiards built on classical trajectories. Energy quantization, scars and periodic orbits

    CERN Document Server

    Giller, Stefan

    2011-01-01

    A way of construction of semiclassical wave function (SWF) based on the Maslov - Fedoriuk approach is proposed which appears to be appropriate also for systems with chaotic classical limits. Some classical constructions called skeletons are considered. The skeletons are generalizations of Arnolds' tori able to gather chaotic dynamics. SWF's are continued by caustic singularities in the configuration space rather then in the phase space using complex time method. The skeleton formulation provides us with a new algorithm for the semiclassical approximation method which is applied to construct SWF's as well as to calculate energy spectra for the circular and rectangular billiards as well as to construct the simplest SWF's and the respective spectrum for the Bunimovich stadium. The scar phenomena are considered and a possibility of their description by the skeleton method is discussed. PACS number(s): 03.65.-w, 03.65.Sq, 02.30.Jr, 02.30.Lt, 02.30.Mv Key Words: Schr\\"odinger equation, semiclassical expansion, Lagr...

  9. Symmetrical windowing for quantum states in quasi-classical trajectory simulations: Application to electron transfer

    Energy Technology Data Exchange (ETDEWEB)

    Cotton, Stephen J.; Igumenshchev, Kirill; Miller, William H., E-mail: millerwh@berkeley.edu [Department of Chemistry and Kenneth S. Pitzer Center for Theoretical Chemistry, University of California, and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2014-08-28

    It has recently been shown [S. J. Cotton and W. H. Miller, J. Chem. Phys. 139, 234112 (2013)] that a symmetrical windowing quasi-classical (SQC) approach [S. J. Cotton and W. H. Miller, J. Phys. Chem. A 117, 7190 (2013)] applied to the Meyer-Miller model [H.-D. Meyer and W. H. Miller, J. Chem. Phys. 70, 3214 (1979)] for the electronic degrees of freedom in electronically non-adiabatic dynamics is capable of quantitatively reproducing quantum mechanical results for a variety of test applications, including cases where “quantum” coherence effects are significant. Here we apply this same SQC methodology, within a flux-side correlation function framework, to calculate thermal rate constants corresponding to several proposed models of electron transfer processes [P. Huo, T. F. Miller III, and D. F. Coker, J. Chem. Phys. 139, 151103 (2013); A. R. Menzeleev, N. Ananth, and T. F. Miller III, J. Chem. Phys. 135, 074106 (2011)]. Good quantitative agreement with Marcus Theory is obtained over several orders of magnitude variation in non-adiabatic coupling. Moreover, the “inverted regime” in thermal rate constants (with increasing bias) known from Marcus Theory is also reproduced with good accuracy by this very simple classical approach. The SQC treatment is also applied to a recent model of photoinduced proton coupled electron transfer [C. Venkataraman, A. V. Soudackov, and S. Hammes-Schiffer, J. Chem. Phys. 131, 154502 (2009)] and population decay of the photoexcited donor state is found to be in reasonable agreement with results calculated via reduced density matrix theory.

  10. Extracting trajectory equations of classical periodic orbits from the quantum eigenmodes in two-dimensional integrable billiards

    Science.gov (United States)

    Hsieh, Y. H.; Yu, Y. T.; Tuan, P. H.; Tung, J. C.; Huang, K. F.; Chen, Y. F.

    2017-02-01

    The trajectory equations for classical periodic orbits in the equilateral-triangular and circular billiards are systematically extracted from quantum stationary coherent states. The relationship between the phase factors of quantum stationary coherent states and the initial positions of classical periodic orbits is analytically derived. In addition, the stationary coherent states with noncoprime parametric numbers are shown to correspond to the multiple periodic orbits, which cannot be explicable in the one-particle picture. The stationary coherent states are further verified to be linked to the resonant modes that are generally observed in the experimental wave system excited by a localized and unidirectional source. The excellent agreement between the resonant modes and the stationary coherent states not only manifests the importance of classical features in experimental systems but also paves the way to manipulate the mesoscopic wave functions localized on the periodic orbits for applications.

  11. Fast Calculation of Abort Return Trajectories for Manned Missions to the Moon

    Science.gov (United States)

    Senent, Juan S.

    2010-01-01

    In order to support the anytime abort requirements of a manned mission to the Moon, the vehicle abort capabilities for the translunar and circumlunar phases of the mission must be studied. Depending on the location of the abort maneuver, the maximum return time to Earth and the available propellant, two different kinds of return trajectories can be calculated: direct and fly-by. This paper presents a new method to compute these return trajectories in a deterministic and fast way without using numerical optimizers. Since no simplifications of the gravity model are required, the resulting trajectories are very accurate and can be used for both mission design and operations. This technique has been extensively used to evaluate the abort capabilities of the Orion/Altair vehicles in the Constellation program for the translunar phase of the mission.

  12. Leaf trajectory calculation for dynamic multileaf collimation to realize optimized fluence profiles

    Energy Technology Data Exchange (ETDEWEB)

    Dirkx, M.L.P.; Heijmen, B.J.M.; Santvoort, J.P.C. van [University Hospital Rotterdam/Daniel den Hoed Cancer Center, Groene Hilledijk 301, 3075 EA Rotterdam (Netherlands)

    1998-05-01

    An algorithm for the calculation of the required leaf trajectories to generate optimized intensity modulated beam profiles by means of dynamic multileaf collimation is presented. This algorithm iteratively accounts for leaf transmission and collimator scatter and fully avoids tongue-and-groove underdosage effects. Tests on a large number of intensity modulated fields show that only a limited number of iterations, generally less than 10, are necessary to minimize the differences between optimized and realized fluence profiles. To assess the accuracy of the algorithm in combination with the dose calculation algorithm of the Cadplan 3D treatment planning system, predicted absolute dose distributions for optimized fluence profiles were compared with dose distributions measured on the MM50 Racetrack Microtron and resulting from the calculated leaf trajectories. Both theoretical and clinical cases yield an agreement within 2%, or within 2 mm in regions with a high dose gradient, showing that the accuracy is adequate for clinical application. (author)

  13. Leaf trajectory calculation for dynamic multileaf collimation to realize optimized fluence profiles

    Science.gov (United States)

    Dirkx, M. L. P.; Heijmen, B. J. M.; van Santvoort, J. P. C.

    1998-05-01

    An algorithm for the calculation of the required leaf trajectories to generate optimized intensity modulated beam profiles by means of dynamic multileaf collimation is presented. This algorithm iteratively accounts for leaf transmission and collimator scatter and fully avoids tongue-and-groove underdosage effects. Tests on a large number of intensity modulated fields show that only a limited number of iterations, generally less than 10, are necessary to minimize the differences between optimized and realized fluence profiles. To assess the accuracy of the algorithm in combination with the dose calculation algorithm of the Cadplan 3D treatment planning system, predicted absolute dose distributions for optimized fluence profiles were compared with dose distributions measured on the MM50 Racetrack Microtron and resulting from the calculated leaf trajectories. Both theoretical and clinical cases yield an agreement within 2%, or within 2 mm in regions with a high dose gradient, showing that the accuracy is adequate for clinical application.

  14. Chasing air masses in the Arctic vortex: An evaluation of trajectory calculations using an active Match

    Science.gov (United States)

    Wegner, T.; Grooss, J.; Mueller, R.; Stroh, F.; Lehmann, R.; Volk, C.; Hösen, E.; Vom Scheidt, M.; Wintel, J.; Riediger, O.; Schlager, H.; Scheibe, M.; Stock, P.; Ravegnani, F.; Ulanovsky, A.; Yushkov, V. A.; von Hobe, M.

    2010-12-01

    During the RECONCILE campaign in the Arctic winter 2009/10, an active Match experiment was performed sampling the same air masses up to three times during two consecutive flights of the high-altitude research aircraft M55-Geophysica from Kiruna (67.83 N, 20.42 E). The first flight was westbound and its flightpath designed to resample the air masses from the outbound leg during the return to Kiruna with a time difference of up to 3 hours. Another match was attempted during a second flight 72 hours later when the air masses had moved into the Geophysica's range again. Flightplans were designed using trajectory calculations driven by ECMWF wind fields. In situ measurements of N2O and NOy revealed strong gradients inside the vortex thus allowing us to examine the accuracy of such trajectory calculations with wind fields in different spatial and temporal resolution.

  15. Calculating Two-Dimensional Spectra with the Mixed Quantum-Classical Ehrenfest Method

    NARCIS (Netherlands)

    van der Vegte, C. P.; Dijkstra, A. G.; Knoester, J.; Jansen, T. L. C.

    2013-01-01

    We present a mixed quantum-classical simulation approach to calculate two-dimensional spectra of coupled two-level electronic model systems. We include the change in potential energy of the classical system due to transitions in the quantum system using the Ehrenfest method. We study how this feedba

  16. The Biharmonic Oscillator and Asymmetric Linear Potentials: From Classical Trajectories to Momentum-Space Probability Densities in the Extreme Quantum Limit

    Science.gov (United States)

    Ruckle, L. J.; Belloni, M.; Robinett, R. W.

    2012-01-01

    The biharmonic oscillator and the asymmetric linear well are two confining power-law-type potentials for which complete bound-state solutions are possible in both classical and quantum mechanics. We examine these problems in detail, beginning with studies of their trajectories in position and momentum space, evaluation of the classical probability…

  17. Total cross sections for ionizing processes induced by proton impact on molecules of biological interest: A classical trajectory Monte Carlo approach

    Energy Technology Data Exchange (ETDEWEB)

    Lekadir, H.; Abbas, I.; Champion, C. [Universite Paul Verlaine Metz, Laboratoire de Physique Moleculaire et des Collisions, Institut J. Barriol FR CNRS 2843, 1 Bd Arago, 57078 Metz Cedex3 (France); Hanssen, J. [Universite Paul Verlaine Metz, Laboratoire de Physique Moleculaire et des Collisions, Institut J. Barriol FR CNRS 2843, 1 Bd Arago, 57078 Metz Cedex3 (France)], E-mail: jocelyn@univ-metz.fr

    2009-03-15

    In the current work, we present a study of ionizing interactions between protons and molecular targets of biological interest like water vapour and DNA bases. Total cross sections for single and multiple ionizing processes are calculated in the independent electron model and compared to existing theoretical and experimental results for impact energies ranging from 10 keV/amu to 10 MeV/amu. The theoretical approach combines some characteristics of the classical trajectory Monte Carlo method with the classical over-barrier framework. In this 'mixed' approach, all the particles are described in a classical way by assuming that the target electrons are involved in the collision only when their binding energy is greater than the maximum of the potential energy of the system projectile-target. We test our theoretical approach on the water molecule and the obtained results are compared to a large set of data and a reasonable agreement is generally observed specially for impact energies greater than 100 keV, except for the double ionization process for which large discrepancies are reported. Considering the DNA bases, the obtained results are given without any comparison since the literature is till now very poor in terms of cross section measurements.

  18. Semiclassical approach to mesoscopic systems classical trajectory correlations and wave interference

    CERN Document Server

    Waltner, Daniel

    2012-01-01

    This volume describes mesoscopic systems with classically chaotic dynamics using semiclassical methods which combine elements of classical dynamics and quantum interference effects. Experiments and numerical studies show that Random Matrix Theory (RMT) explains physical properties of these systems well. This was conjectured more than 25 years ago by Bohigas, Giannoni and Schmit for the spectral properties. Since then, it has been a challenge to understand this connection analytically.  The author offers his readers a clearly-written and up-to-date treatment of the topics covered. He extends previous semiclassical approaches that treated spectral and conductance properties. He shows that RMT results can in general only be obtained semiclassically when taking into account classical configurations not considered previously, for example those containing multiply traversed periodic orbits. Furthermore, semiclassics is capable of describing effects beyond RMT. In this context he studies the effect of a non-zero Eh...

  19. Classic and Golli Myelin Basic Protein have distinct developmental trajectories in human visual cortex.

    Science.gov (United States)

    Siu, Caitlin R; Balsor, Justin L; Jones, David G; Murphy, Kathryn M

    2015-01-01

    Traditionally, myelin is viewed as insulation around axons, however, more recent studies have shown it also plays an important role in plasticity, axonal metabolism, and neuroimmune signaling. Myelin is a complex multi-protein structure composed of hundreds of proteins, with Myelin Basic Protein (MBP) being the most studied. MBP has two families: Classic-MBP that is necessary for activity driven compaction of myelin around axons, and Golli-MBP that is found in neurons, oligodendrocytes, and T-cells. Furthermore, Golli-MBP has been called a "molecular link" between the nervous and immune systems. In visual cortex specifically, myelin proteins interact with immune processes to affect experience-dependent plasticity. We studied myelin in human visual cortex using Western blotting to quantify Classic- and Golli-MBP expression in post-mortem tissue samples ranging in age from 20 days to 80 years. We found that Classic- and Golli-MBP have different patterns of change across the lifespan. Classic-MBP gradually increases to 42 years and then declines into aging. Golli-MBP has early developmental changes that are coincident with milestones in visual system sensitive period, and gradually increases into aging. There are three stages in the balance between Classic- and Golli-MBP expression, with Golli-MBP dominating early, then shifting to Classic-MBP, and back to Golli-MBP in aging. Also Golli-MBP has a wave of high inter-individual variability during childhood. These results about cortical MBP expression are timely because they compliment recent advances in MRI techniques that produce high resolution maps of cortical myelin in normal and diseased brain. In addition, the unique pattern of Golli-MBP expression across the lifespan suggests that it supports high levels of neuroimmune interaction in cortical development and in aging.

  20. Classic and Golli Myelin Basic Protein have distinct developmental trajectories in human visual cortex

    Directory of Open Access Journals (Sweden)

    Caitlin R Siu

    2015-04-01

    Full Text Available Traditionally myelin is viewed as insulation around axons however more recent studies have shown it plays an important role in plasticity, axonal metabolism and neuroimmune signalling. Myelin is a complex multi-protein structure composed of hundreds of proteins, with Myelin Basic Protein (MBP being the most studied. MBP has two families: Classic-MBP that is necessary for activity driven compaction of myelin around axons, and Golli-MBP that is found in neurons, oligodendrocytes, and T cells, and has been called a 'molecular link' between the nervous and immune systems. In visual cortex myelin proteins interact with immune processes to affect experience-dependent plasticity. We studied myelin in human visual cortex using Western blotting to quantify Classic- and Golli-MBP expression in post-mortem tissue samples ranging in age from 20 days to 80 years. We found that Classic- and Golli-MBP have different patterns of change across the lifespan: Classic-MBP gradually increases to 42 years and then declines into aging; Golli-MBP has changes that are coincident with milestones in visual system sensitive period, before gradually increasing into aging. There are 3 stages in the balance between Classic- and Golli-MBP expression, with Golli-MBP dominating early, then shifting to Classic-MBP, and back to Golli-MBP in aging. Also Golli-MBP has a wave of high inter-individual variability during childhood. These results about cortical MBP expression are timely because they compliment recent advances in MRI techniques that produce high resolution maps of cortical myelin in normal and diseased brain. In addition the unique pattern of Golli-MBP expression across the lifespan suggests that it supports high levels of neuroimmune interaction in cortical development and in aging.

  1. Scattering of fast N-2 from Pd(111) : A classical trajectory study

    NARCIS (Netherlands)

    Schlathölter, Thomas; Vicanek, M; Heiland, W

    1997-01-01

    Molecular nitrogen is well known for its chemical inactivity. Experimental results for grazing incidence N-2 scattering from Pd(111) surfaces in the keV range also reveal negligible influences of electronical processes on molecular fragmentation. Therefore, we carry out gn appropriate classical trea

  2. Semiclassical approach to mesoscopic systems. Classical trajectory correlations and wave interface

    Energy Technology Data Exchange (ETDEWEB)

    Waltner, Daniel [Regensburg Univ. (Germany). Institut fuer Theoretische Physik

    2012-07-01

    This volume describes mesoscopic systems with classically chaotic dynamics using semiclassical methods which combine elements of classical dynamics and quantum interference effects. Experiments and numerical studies show that Random Matrix Theory (RMT) explains physical properties of these systems well. This was conjectured more than 25 years ago by Bohigas, Giannoni and Schmit for the spectral properties. Since then, it has been a challenge to understand this connection analytically. The author offers his readers a clearly-written and up-to-date treatment of the topics covered. He extends previous semiclassical approaches that treated spectral and conductance properties. He shows that RMT results can in general only be obtained semiclassically when taking into account classical configurations not considered previously, for example those containing multiply traversed periodic orbits. Furthermore, semiclassics is capable of describing effects beyond RMT. In this context he studies the effect of a non-zero Ehrenfest time, which is the minimal time needed for an initially spatially localized wave packet to show interference. He derives its signature on several quantities characterizing mesoscopic systems, e. g. dc and ac conductance, dc conductance variance, n-pair correlation functions of scattering matrices and the gap in the density of states of Andreev billiards. (orig.)

  3. Ka-mixing in the unimolecular dissociation of NO 2 studied by classical dynamics calculations

    Science.gov (United States)

    Grebenshchikov, S. Yu; Flöthmann, H.; Schinke, R.; Bezel, I.; Wittig, C.; Kato, S.

    1998-03-01

    Coriolis and centrifugal vibration-rotation coupling in the unimolecular dissociation of ground electronic state NO 2 has been examined by using classical trajectories. The time evolution of the projection Ka of the rotational angular momentum N in a body-fixed frame is analyzed. The main result is a relation between the decomposition lifetime and the degree of Ka-mixing. For example, less than 30% of the available Ka space becomes populated for an average lifetime of 5 ps. This is consistent with the conclusions, based on time-resolved experiments, that rotation-vibration transfer is slower than reaction except just above the threshold.

  4. Quasi-classical trajectory study of the reaction H' + HS on a new ab initio potential energy surface H2S (3A")

    Indian Academy of Sciences (India)

    Jinghan Zou; Shuhui Yin; Dan Wu; Mingxing Guo; Xuesong Xu; Hong Gao; Lei Li; Li Che

    2013-09-01

    Theoretical study on the dynamics of reactions H' + HS( = 0, = 0)→H2 + S and H' + HS( =0, = 0)→ H + H'S is performed with quasi-classical trajectory (QCT) method on a new ab initio potential energy surface for the lowest triplet state of H2S (3A") constructed in 2012 by Lv et al. The QCT-calculated reaction integral cross-sections are in good agreement with previous quantum wave packet results over the collision energy range of 0-50 kcal/mol. Both the abstraction and exchange reactions are governed by direct reaction dynamics and the trajectories follow the minimum energy path. The rotational angular momentum vector ' of products in the two reaction channels are not only aligned perpendicular to scattering plane but also oriented along the negative direction of the axis perpendicular to the scattering plane. With the increase in collision energy, the variation trends of product polarization in the two reaction channels are different and that may be attributed to the obviously different characteristic of the two channels on the potential energy surface.

  5. LETTER TO THE EDITOR: Sub-Poissonian photon statistics of higher harmonics: quantum predictions via classical trajectories

    Science.gov (United States)

    Bajer, Jirí; Miranowicz, Adam

    2000-06-01

    Second-harmonic generation in the no-energy-transfer regime can be a source of quasi-stationary sub-Poissonian light as was recently shown by Bajer et al (Bajer J, Haderka O and Perina J 1999 J. Opt. B: Quantum Semiclass. Opt. 1 529). We generalize their results for higher-harmonic generation by applying the numerical method of Hamiltonian diagonalization and the analytical semiclassical description of classical trajectories. The quasi-stationary behaviour of the sub-Poissonian photocount noise in the no-energy-transfer regime is explained. An approximate formula for the Fano factor is derived for arbitrary harmonics. It is predicted that the deepest quasi-stationary reduction of photocount noise in the no-energy-transfer regime is achieved in the third-harmonic generation.

  6. Calculating time-resolved differential absorbance spectra for ultrafast pump-probe experiments with surface hopping trajectories

    Energy Technology Data Exchange (ETDEWEB)

    Petit, Andrew S.; Subotnik, Joseph E. [Department of Chemistry, University of Pennsylvania, 231 S. 34th Street, Philadelphia, Pennsylvania 19104 (United States)

    2014-10-21

    We report a surface hopping approach for modeling the full time- and frequency-resolved differential absorbance spectra (beyond the inhomogenous limit) obtained in ultrafast pump-probe experiments. In our approach, we combine dynamical information obtained from ensembles of classical trajectories propagated on the ground and on the excited potential energy surfaces to directly calculate optical response functions and hence spectral lineshapes. We demonstrate that our method is exact for the model problem of two shifted harmonic potentials with identical harmonic frequencies in the absence of electronic relaxation. We then consider a model three state system with electronic relaxation and show that our method is able to capture the effects of nonadiabatic excited state dynamics on the time-dependent differential absorbance spectra. Furthermore, by comparing our spectra against those spectra calculated with either an (1) inhomogenous expression, (2) ground-state Kubo theory, or (3) excited-state Kubo theory, we show that including dynamical information from both the ground and excited potential energy surfaces significantly improves the reliability of the semiclassical approximations. As such, our surface hopping method should find immediate use in modeling the time-dependent differential abosrbance spectra of ultrafast pump-probe experiments.

  7. The effect of zero-point energy differences on the isotope dependence of the formation of ozone: a classical trajectory study.

    Science.gov (United States)

    Schinke, Reinhard; Fleurat-Lessard, Paul

    2005-03-01

    The effect of zero-point energy differences (DeltaZPE) between the possible fragmentation channels of highly excited O(3) complexes on the isotope dependence of the formation of ozone is investigated by means of classical trajectory calculations and a strong-collision model. DeltaZPE is incorporated in the calculations in a phenomenological way by adjusting the potential energy surface in the product channels so that the correct exothermicities and endothermicities are matched. The model contains two parameters, the frequency of stabilizing collisions omega and an energy dependent parameter Delta(damp), which favors the lower energies in the Maxwell-Boltzmann distribution. The stabilization frequency is used to adjust the pressure dependence of the absolute formation rate while Delta(damp) is utilized to control its isotope dependence. The calculations for several isotope combinations of oxygen atoms show a clear dependence of relative formation rates on DeltaZPE. The results are similar to those of Gao and Marcus [J. Chem. Phys. 116, 137 (2002)] obtained within a statistical model. In particular, like in the statistical approach an ad hoc parameter eta approximately 1.14, which effectively reduces the formation rates of the symmetric ABA ozone molecules, has to be introduced in order to obtain good agreement with the measured relative rates of Janssen et al. [Phys. Chem. Chem. Phys. 3, 4718 (2001)]. The temperature dependence of the recombination rate is also addressed.

  8. Classical trajectories in polar-asymmetric laser fields: Synchronous THz and XUV emission

    Science.gov (United States)

    Gragossian, Aram; Seletskiy, Denis V.; Sheik-Bahae, Mansoor

    2016-10-01

    The interaction of intense near- and mid-infrared laser pulses with rare gases has produced bursts of radiation with spectral content extending into the extreme ultraviolet and soft x-ray region of electromagnetic spectrum. On the other end of the spectrum, laser-driven gas plasmas has been shown to produce coherent sub-harmonic optical waveforms, covering from terahertz (THz) to mid- and near-infrared frequency spectral band. Both processes can be enhanced via a combination of a driving field and its second harmonic. Despite this striking similarity, only limited experimental and theoretical attempts have been made to address these two regimes simultaneously. Here we present systematic experiments and a unifying picture of these processes, based on our extension of the semi-classical three-step model. Further understanding of the generation and coherent control of time-synchronized transients with photon energies from meV to 1 keV can lead to numerous technological advances and to an intriguing possibilities of ultra-broadband investigations into complex condensed matter systems.

  9. Thermodynamic characteristics of air masses along the Guadalquivir valley determined through the calculation of trajectories

    Directory of Open Access Journals (Sweden)

    M. A. Hernández-Ceballos

    2011-01-01

    Full Text Available The Guadalquivir valley favors the channeling of air masses from coastal areas to inland Andalusia. This paper presents a first approximation of the spatial variation along the Guadalquivir valley in some of the representative thermodynamic properties of air masses. We have selected three representative sites of its lower, middle and high course, analyzing all of them on their daily trajectories and hourly records of potential temperature, specific humidity and wind speed during the period 2000-2007. The set of trajectories has been calculated using the HYSPLIT model (Hybrid Single-Particle Lagrangian Integrated Trajectory, establishing 12 UTC as the arrivaltime, a duration of 120 hours and a final height of incidence of 500 m. The cluster analysis has allowed the selection of ten different types of air masses, and those with a clear origin from the west were selected from this group. Analysis in the three sites of the daily cycles of potential temperature show a gradual cooling (3-4 K during the cold period (November-February of the year and warming during the warm period (June-September in the range of 5-6 K between the ends of the valley. The specific humidity experiences a drop, regardless of the period and type of air mass, as the air mass travels through the valley, being more intense during the warm period with up to 8 g kg-1 instead of the 1-2 g kg-1 in the cold period. The wind speed cycles show a progressive drop of intensity along the valley, more marked in the final section with a reduction of up to 3 m s-1 per 100 km, the more intense values being recorded during the warm period of the year with average values of up to 4 m s-1.

  10. Ionization of small molecules induced by H+, H e+ , and N+ projectiles: Comparison of experiment with quantum and classical calculations

    Science.gov (United States)

    Kovács, S. T. S.; Herczku, P.; Juhász, Z.; Sarkadi, L.; Gulyás, L.; Sulik, B.

    2016-07-01

    We report the energy and angular distribution of ejected electrons from C H4 and H2O molecules impacted by 1 MeV H+, H e+ , and 650 keV N+ ions. Spectra were measured at different observation angles, from 2 to 2000 eV. The obtained absolute double-differential electron-emission cross sections (DDCSs) were compared with the results of classical trajectory Monte Carlo (CTMC) and continuum distorted wave, eikonal initial state (CDW-EIS) calculations. For the bare H+ projectile both theories show remarkable agreement with the experiment at all observed angles and energies. The CTMC results are in similarly good agreement with the DDCS spectra obtained for impact by dressed H e+ and N+ ions, where screening effects and electron loss from the projectile gain importance. The CDW-EIS calculations slightly overestimate the electron loss for 1 MeV H e+ impact, and overestimate both the target and projectile ionization at low emitted electron energies for 650 keV N+ impact. The contribution of multiple electron scattering by the projectile and target centers (Fermi shuttle) dominates the N+-impact spectra at higher electron energies, and it is well reproduced by the nonperturbative CTMC calculations. The contributions of different processes in medium-velocity collisions of dressed ions with molecules are determined.

  11. Anionic microsolvation in helium droplets: OH- (He)N structures from classical and quantum calculations.

    Science.gov (United States)

    Coccia, E; Marinetti, F; Bodo, E; Gianturco, F A

    2008-04-07

    Diffusion Monte Carlo calculations are carried out for clusters of OH- (1Sigma+) with N 4He atoms, N varying up to 15, while classical configurations from a genetic algorithm optimization are obtained up to N=20. The overall interaction potential is assembled from ab initio data for the partners using the sum-of-potentials scheme. In contrast with the cationic dopants' behavior, the results indicate a very marked spatial delocalization and quantum features of the solvent adatoms surrounding the anionic impurity, thus making classical calculations of solvent's spatial locations of only limited use. In spite of the generally known repulsive interaction of negative charges in He droplets, the calculations show that this polar molecular anion is solvated by a liquidlike solvent layer, reminiscent of what happens in pure helium droplets.

  12. Calculation of a velocity distribution from particle trajectory end-points.

    Science.gov (United States)

    Rasmussen, Lowell A.

    1983-01-01

    The longitudinal component of the velocity of a particle at or near a glacier surface is considered, its position as a function of time being termed its trajectory. Functional relationships are derived for obtaining the trajectory from the spatial distribution of velocity and for obtaining the velocity distribution from the trajectory. It is established that the trajectory end-points impose only an integral condition on the velocity distribution and that no individual point on the velocity distribution can be determined if only the end-points are known.-from Author

  13. Chemical reaction dynamics of Rydberg atoms with neutral molecules: a comparison of molecular-beam and classical trajectory results for the H(n)+D2-->HD+D(n') reaction.

    Science.gov (United States)

    Song, Hui; Dai, Dongxu; Wu, Guorong; Wang, Chia Chen; Harich, Steven A; Hayes, Michael Y; Wang, Xiuyan; Gerlich, Dieter; Yang, Xueming; Skodje, Rex T

    2005-08-15

    Recent molecular-beam experiments have probed the dynamics of the Rydberg-atom reaction, H(n)+D2-->HD+D(n) at low collision energies. It was discovered that the rotationally resolved product distribution was remarkably similar to a much more limited data set obtained at a single scattering angle for the ion-molecule reaction H++D2-->D++HD. The equivalence of these two problems would be consistent with the Fermi-independent-collider model (electron acting as a spectator) and would provide an important new avenue for the study of ion-molecule reactions. In this work, we employ a classical trajectory calculation on the ion-molecule reaction to facilitate a more extensive comparison between the two systems. The trajectory simulations tend to confirm the equivalence of the ion+molecule dynamics to that for the Rydberg-atom+molecule system. The theory reproduces the close relationship of the two experimental observations made previously. However, some differences between the Rydberg-atom experiments and the trajectory simulations are seen when comparisons are made to a broader data set. In particular, the angular distribution of the differential cross section exhibits more asymmetry in the experiment than in the theory. The potential breakdown of the classical model is discussed. The role of the "spectator" Rydberg electron is addressed and several crucial issues for future theoretical work are brought out.

  14. Calculation of electron trajectory and energy deposition in no screening region

    Energy Technology Data Exchange (ETDEWEB)

    Kia, Mohammad Reza, E-mail: m_r_kia@aut.ac.ir; Noshad, Houshyar, E-mail: hnoshad@aut.ac.ir

    2016-01-01

    The probability density function (PDF) of energy for inelastic collision is obtained by solving the integro-differential form of the quantity equation with the Bhabha differential cross section for particles with spin 1/2. Hence, the total PDF in no screening region is determined by folding theory with the following two assumptions: (1) the electron loses energy by collision and radiation and (2) the electron velocity does not change with a thin absorber. Therefore, a set of coupled stochastic differential equations based on the deviation and energy loss PDFs for electron is presented to obtain the electron trajectory inside the target. The energy PDFs for an electron beam with incident energy of 15.7 MeV inside aluminum and copper are calculated. Besides, the dose distributions for an electron beam with incident energies of 20, 10.2, 6, and 0.5 MeV in water are obtained. The results are in excellent agreement with the experimental data reported in the literature.

  15. Accurate Calculations of Rotationally Inelastic Scattering Cross Sections Using Mixed Quantum/Classical Theory.

    Science.gov (United States)

    Semenov, Alexander; Babikov, Dmitri

    2014-01-16

    For computational treatment of rotationally inelastic scattering of molecules, we propose to use the mixed quantum/classical theory, MQCT. The old idea of treating translational motion classically, while quantum mechanics is used for rotational degrees of freedom, is developed to the new level and is applied to Na + N2 collisions in a broad range of energies. Comparison with full-quantum calculations shows that MQCT accurately reproduces all, even minor, features of energy dependence of cross sections, except scattering resonances at very low energies. The remarkable success of MQCT opens up wide opportunities for computational predictions of inelastic scattering cross sections at higher temperatures and/or for polyatomic molecules and heavier quenchers, which is computationally close to impossible within the full-quantum framework.

  16. Classical calculation of relativistic frequency-shifts in an ideal Penning trap

    CERN Document Server

    Ketter, Jochen; Höcker, Martin; Schuh, Marc; Streubel, Sebastian; Blaum, Klaus

    2013-01-01

    The ideal Penning trap consists of a uniform magnetic field and an electrostatic quadrupole potential. In the classical low-energy limit, the three characteristic eigenfrequencies of a charged particle trapped in this configuration do not depend on the amplitudes of the three eigenmotions. No matter how accurate the experimental realization of the ideal Penning trap, its harmonicity is ultimately compromised by special relativity. Using a classical formalism of first-order perturbation theory, we calculate the relativistic frequency-shifts associated with the motional degrees of freedom for a spinless particle stored in an ideal Penning trap, and we compare the results with the simple but surprisingly accurate model of relativistic mass-increase.

  17. POLYANA-A tool for the calculation of molecular radial distribution functions based on Molecular Dynamics trajectories

    Science.gov (United States)

    Dimitroulis, Christos; Raptis, Theophanes; Raptis, Vasilios

    2015-12-01

    We present an application for the calculation of radial distribution functions for molecular centres of mass, based on trajectories generated by molecular simulation methods (Molecular Dynamics, Monte Carlo). When designing this application, the emphasis was placed on ease of use as well as ease of further development. In its current version, the program can read trajectories generated by the well-known DL_POLY package, but it can be easily extended to handle other formats. It is also very easy to 'hack' the program so it can compute intermolecular radial distribution functions for groups of interaction sites rather than whole molecules.

  18. Extension of high-order harmonic cutoff frequency by synthesizing the waveform of a laser field via the optimization of classical electron trajectory in the laser field

    Institute of Scientific and Technical Information of China (English)

    Zhao Di; Li Fu-Li

    2013-01-01

    We theoretically investigate high-order harmonic generation by employing strong-field approximation (SFA) and present a new approach to the extension of the high-order harmonic cutoff frequency via an exploration of the dependence of high-order harmonic generation on the waveform of laser fields.The dependence is investigated via detailed analysis of the classical trajectories of the ionized electron moving in the continuum in the velocity-position plane.The classical trajectory consists of three sections (Acceleration Away,Deceleration Away,and Acceleration Back),and their relationship with the electron recollision energy is investigated.The analysis of classical trajectories indicates that,besides the final (Acceleration Back) section,the electron recollision energy also relies on the previous two sections.We simultaneously optimize the waveform in all three sections to increase the electron recollision energy,and an extension of the cutoff frequency up to Ip + 20.26Up is presented with a theoretically synthesized waveform of the laser field.

  19. A Monte Carlo Resampling Approach for the Calculation of Hybrid Classical and Quantum Free Energies.

    Science.gov (United States)

    Cave-Ayland, Christopher; Skylaris, Chris-Kriton; Essex, Jonathan W

    2017-02-14

    Hybrid free energy methods allow estimation of free energy differences at the quantum mechanics (QM) level with high efficiency by performing sampling at the classical mechanics (MM) level. Various approaches to allow the calculation of QM corrections to classical free energies have been proposed. The single step free energy perturbation approach starts with a classically generated ensemble, a subset of structures of which are postprocessed to obtain QM energies for use with the Zwanzig equation. This gives an estimate of the free energy difference associated with the change from an MM to a QM Hamiltonian. Owing to the poor numerical properties of the Zwanzig equation, however, recent developments have produced alternative methods which aim to provide access to the properties of the true QM ensemble. Here we propose an approach based on the resampling of MM structural ensembles and application of a Monte Carlo acceptance test which in principle, can generate the exact QM ensemble or intermediate ensembles between the MM and QM states. We carry out a detailed comparison against the Zwanzig equation and recently proposed non-Boltzmann methods. As a test system we use a set of small molecule hydration free energies for which hybrid free energy calculations are performed at the semiempirical Density Functional Tight Binding level. Equivalent ensembles at this level of theory have also been generated allowing the reverse QM to MM perturbations to be performed along with a detailed analysis of the results. Additionally, a previously published nucleotide base pair data set simulated at the QM level using ab initio molecular dynamics is also considered. We provide a strong rationale for the use of the Monte Carlo Resampling and non-Boltzmann approaches by showing that configuration space overlaps can be estimated which provide useful diagnostic information regarding the accuracy of these hybrid approaches.

  20. Calculation of Regge trajectories of strange resonances and identification of the K0*(800) as a non-ordinary meson

    CERN Document Server

    Peláez, J R

    2016-01-01

    We review how the Regge trajectory of an elastic resonance can be obtained just from its pole position and coupling, using a dispersive formalism. This allows us to deal correctly with the finite widths of resonances in Regge trajectories. In this way we can calculate the Regge trajectories for the $K^*(892)$, $K_1(1400)$ and $K^*_0(1430)$, obtaining ordinary linear Regge trajectories, expected for $q \\bar q$ resonances. In contrast, for the $K^*_0(800)$ meson, the resulting Regge trajectory is non-linear and with much smaller slope, strongly supporting its non-ordinary nature.

  1. Calculation of Classical Polar-Activity Indices Using Their Modern Variants

    Science.gov (United States)

    Barkhatov, N. A.; Korolev, A. V.; Levitin, A. E.; Sakharov, S. Yu.

    2004-03-01

    At present, the auroral-electrojet AE, AU, and AL indices are calculated using a smaller number of stations than earlier. This influences the accuracy of estimates of the magnetospheric activity components, which are performed using the relationships with modern indices AE8 (obtained from the data of 8 stations) substituted instead of the classical indices AE12 (obtained from the data of 12 stations). In this paper, we develop an artificial neural-network (ANN) algoritm for recalculating the classical polar-activity indices from modern ones. It is demonstrated that the developed ANN is capable of retrieving the AE12-index from data of 8 stations (AE8) with efficiency reaching 90% in some cases. The results obtained allow one to estimate the error in the representation of the auroral-electrojet activity by modern AE8 indices as compared with the ones introduced into geophysical research by their creators. We also develop a retrieval technique for polar indices, which employs data on solar-wind parameters.

  2. Calculating TMDs of an Unpolarized Target: Quasi-Classical Approximation and Quantum Evolution

    CERN Document Server

    Kovchegov, Yuri V

    2016-01-01

    We set up a formalism for calculating transverse-momentum-dependent parton distribution functions (TMDs) 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. We observe that spin-orbit coupling leads to mixing between 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 dom...

  3. Calculating TMDs of a large nucleus: Quasi-classical approximation and quantum evolution

    Energy Technology Data Exchange (ETDEWEB)

    Kovchegov, Yuri V., E-mail: kovchegov.1@osu.edu [Department of Physics, The Ohio State University, Columbus, OH 43210 (United States); Sievert, Matthew D., E-mail: msievert@bnl.gov [Bldg. 510A, Physics Department, Brookhaven National Laboratory, Upton, NY 11973 (United States)

    2016-02-15

    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. We observe that spin–orbit coupling leads to mixing between 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.

  4. Introducing DInaMo: A Package for Calculating Protein Circular Dichroism Using Classical Electromagnetic Theory

    Directory of Open Access Journals (Sweden)

    Igor V. Uporov

    2015-09-01

    Full Text Available The dipole interaction model is a classical electromagnetic theory for calculating circular dichroism (CD resulting from the π-π* transitions of amides. The theoretical model, pioneered by J. Applequist, is assembled into a package, DInaMo, written in Fortran allowing for treatment of proteins. DInaMo reads Protein Data Bank formatted files of structures generated by molecular mechanics or reconstructed secondary structures. Crystal structures cannot be used directly with DInaMo; they either need to be rebuilt with idealized bond angles and lengths, or they need to be energy minimized to adjust bond lengths and bond angles because it is common for crystal structure geometries to have slightly short bond lengths, and DInaMo is sensitive to this. DInaMo reduces all the amide chromophores to points with anisotropic polarizability and all nonchromophoric aliphatic atoms including hydrogens to points with isotropic polarizability; all other atoms are ignored. By determining the interactions among the chromophoric and nonchromophoric parts of the molecule using empirically derived polarizabilities, the rotational and dipole strengths are determined leading to the calculation of CD. Furthermore, ignoring hydrogens bound to methyl groups is initially explored and proves to be a good approximation. Theoretical calculations on 24 proteins agree with experiment showing bands with similar morphology and maxima.

  5. Taylor Series Trajectory Calculations Including Oblateness Effects and Variable Atmospheric Density

    Science.gov (United States)

    Scott, James R.

    2011-01-01

    Taylor series integration is implemented in NASA Glenn's Spacecraft N-body Analysis Program, and compared head-to-head with the code's existing 8th- order Runge-Kutta Fehlberg time integration scheme. This paper focuses on trajectory problems that include oblateness and/or variable atmospheric density. Taylor series is shown to be significantly faster and more accurate for oblateness problems up through a 4x4 field, with speedups ranging from a factor of 2 to 13. For problems with variable atmospheric density, speedups average 24 for atmospheric density alone, and average 1.6 to 8.2 when density and oblateness are combined.

  6. O método das trajectórias clássicas: colisões coplanares do tipo A+BC Classical trajectory method: A+BC coplanar collisions

    Directory of Open Access Journals (Sweden)

    Jorge M. C. Marques

    2003-10-01

    Full Text Available The general methodology of classical trajectories as applied to elementary chemical reactions of the A+BC type is presented. The goal is to elucidate students about the main theoretical features and potentialities in applying this versatile method to calculate the dynamical properties of reactive systems. Only the methodology for two-dimensional (2D case is described, from which the general theory for 3D follows straightforwardly. The adopted point of view is, as much as possible, that of allowing a direct translation of the concepts into a working program. An application to the reaction O(¹D+H2->O+OH with relevance in atmospheric chemistry is also presented. The FORTRAN codes used are available through the web page www.qqesc.qui.uc.pt.

  7. An improved potential energy surface and multi-temperature quasiclassical trajectory calculations of N2 + N2 dissociation reactions.

    Science.gov (United States)

    Bender, Jason D; Valentini, Paolo; Nompelis, Ioannis; Paukku, Yuliya; Varga, Zoltan; Truhlar, Donald G; Schwartzentruber, Thomas; Candler, Graham V

    2015-08-01

    Accurate modeling of high-temperature hypersonic flows in the atmosphere requires consideration of collision-induced dissociation of molecular species and energy transfer between the translational and internal modes of the gas molecules. Here, we describe a study of the N2 + N2⟶N2 + 2N and N2 + N2⟶4N nitrogen dissociation reactions using the quasiclassical trajectory (QCT) method. The simulations used a new potential energy surface for the N4 system; the surface is an improved version of one that was presented previously. In the QCT calculations, initial conditions were determined based on a two-temperature model that approximately separates the translational-rotational temperature from the vibrational temperature of the N2 diatoms. Five values from 8000 K to 30,000 K were considered for each of the two temperatures. Over 2.4 × 10(9) trajectories were calculated. We present results for ensemble-averaged dissociation rate constants as functions of the translational-rotational temperature T and the vibrational temperature T(v). The rate constant depends more strongly on T when T(v) is low, and it depends more strongly on T(v) when T is low. Quasibound reactant states contribute significantly to the rate constants, as do exchange processes at higher temperatures. We discuss two sets of runs in detail: an equilibrium test set in which T = T(v) and a nonequilibrium test set in which T(v) test set, high-v and moderately-low-j molecules contribute most significantly to the overall dissociation rate, and this state specificity becomes stronger as the temperature decreases. Dissociating trajectories tend to result in a major loss of vibrational energy and a minor loss of rotational energy. In the nonequilibrium test set, as T(v) decreases while T is fixed, higher-j molecules contribute more significantly to the dissociation rate, dissociating trajectories tend to result in a greater rotational energy loss, and the dissociation probability's dependence on v weakens. In

  8. An improved potential energy surface and multi-temperature quasiclassical trajectory calculations of N2 + N2 dissociation reactions

    Science.gov (United States)

    Bender, Jason D.; Valentini, Paolo; Nompelis, Ioannis; Paukku, Yuliya; Varga, Zoltan; Truhlar, Donald G.; Schwartzentruber, Thomas; Candler, Graham V.

    2015-08-01

    Accurate modeling of high-temperature hypersonic flows in the atmosphere requires consideration of collision-induced dissociation of molecular species and energy transfer between the translational and internal modes of the gas molecules. Here, we describe a study of the N2 + N2⟶N2 + 2N and N2 + N2⟶4N nitrogen dissociation reactions using the quasiclassical trajectory (QCT) method. The simulations used a new potential energy surface for the N4 system; the surface is an improved version of one that was presented previously. In the QCT calculations, initial conditions were determined based on a two-temperature model that approximately separates the translational-rotational temperature from the vibrational temperature of the N2 diatoms. Five values from 8000 K to 30 000 K were considered for each of the two temperatures. Over 2.4 × 109 trajectories were calculated. We present results for ensemble-averaged dissociation rate constants as functions of the translational-rotational temperature T and the vibrational temperature Tv. The rate constant depends more strongly on T when Tv is low, and it depends more strongly on Tv when T is low. Quasibound reactant states contribute significantly to the rate constants, as do exchange processes at higher temperatures. We discuss two sets of runs in detail: an equilibrium test set in which T = Tv and a nonequilibrium test set in which Tv rate, and this state specificity becomes stronger as the temperature decreases. Dissociating trajectories tend to result in a major loss of vibrational energy and a minor loss of rotational energy. In the nonequilibrium test set, as Tv decreases while T is fixed, higher-j molecules contribute more significantly to the dissociation rate, dissociating trajectories tend to result in a greater rotational energy loss, and the dissociation probability's dependence on v weakens. In this way, as Tv decreases, rotational energy appears to compensate for the decline in average vibrational energy in

  9. Independent-Trajectory Thermodynamic Integration: a practical guide to protein-drug binding free energy calculations using distributed computing.

    Science.gov (United States)

    Lawrenz, Morgan; Baron, Riccardo; Wang, Yi; McCammon, J Andrew

    2012-01-01

    The Independent-Trajectory Thermodynamic Integration (IT-TI) approach for free energy calculation with distributed computing is described. IT-TI utilizes diverse conformational sampling obtained from multiple, independent simulations to obtain more reliable free energy estimates compared to single TI predictions. The latter may significantly under- or over-estimate the binding free energy due to finite sampling. We exemplify the advantages of the IT-TI approach using two distinct cases of protein-ligand binding. In both cases, IT-TI yields distributions of absolute binding free energy estimates that are remarkably centered on the target experimental values. Alternative protocols for the practical and general application of IT-TI calculations are investigated. We highlight a protocol that maximizes predictive power and computational efficiency.

  10. Study of the H+HS reaction on a newly built potential energy surface using the quasi-classical trajectory method

    Science.gov (United States)

    Bai, Meng-Meng; Ge, Mei-Hua; Yang, Huan; Zheng, Yu-Jun

    2012-12-01

    The quasi-classical trajectory (QCT) method is used to study the H+HS reaction on a newly built potential energy surface (PES) of the triplet state of H2S (3A″) in a collision energy range of 0-60 kcal/mol. Both scalar properties, such as the reaction probability and the integral cross section (ICS), and the vector properties, such as the angular distribution between the relative velocity vector of the reactant and that of the product, etc., are investigated using the QCT method. It is found that the ICSs obtained by the QCT method and the quantum mechanical (QM) method accord well with each other. In addition, the distribution for the product vibrational states is cold, while that for the product rotational states is hot for both reaction channels in the whole energy range studied here.

  11. Study of the H+HS reaction on a newly built potential energy surface using the quasi-classical trajectory method

    Institute of Scientific and Technical Information of China (English)

    Bai Meng-Meng; Ge Mei-Hua; Yang Huan; Zheng Yu-Jun

    2012-01-01

    The quasi-classical trajectory (QCT) method is used to study the H+HS reaction on a newly built potential energy surface (PES) of the triplet state of H2S (3A") in a collision energy range of 0-60 kcal/mol.Both scalar properties,such as the reaction probability and the integral cross section (ICS),and the vector properties,such as the angular distribution between the relative velocity vector of the reactant and that of the product,etc.,are investigated using the QCT method.It is found that the ICSs obtained by the QCT method and the quantum mechanical (QM) method accord well with each other.In addition,the distribution for the product vibrational states is cold,while that for the product rotational states is hot for both reaction channels in the whole energy range studied here.

  12. [Bloodstain pattern analysis on examples from practice: Are calculations with application parabolic trajectory usable?].

    Science.gov (United States)

    Makovický, Peter; Matlach, Radek; Pokorná, Olga; Mošna, František; Makovický, Pavol

    2015-01-01

    The bloodstain pattern analysis (BPA) is useful in the forensic medicine. In Czechoslovakian criminology is this method not commonly used. The objective of this work is to calculate the impact length, height and distance splashing of blood drops. The results are compared with the real values for specific cases. It is also compared to calculate the angle of incidence of blood drops, using sinα with a form using tgα. For this purposes we used two different character cases from practice with well-preserved condition and readable blood stains. Selected blood stains were documented in order to calculate the angle of incidence of blood drops and to calculateorigin splashes. For this drop of blood, the distance of impact of the drops of blood (x), the height of the sprayed blood drops (y) and the length of the flight path the drop of blood (l). The obtained data was retrospectively analysed for the two models. The first straight line is represented by the triangle (M1) and the other is the parabolic model (M2). The formulae were derived using the Euler substitution. The results show that the angle of incidence of the drop of blood can be calculated as sinα and the tgα. When applying, the triangle is appropriate to consider the application and sinα parabolic requires the calculation of the angle of incidence drops of blood tgα. Parabola is useful for the BPA. In Czechoslovakian should be providing workplace training seminars BPA primarily intended for forensic investigators.We recommend the use of this method during investigations, verification of acts in forensic practice.

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

    Science.gov (United States)

    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

  14. WOLF: a computer code package for the calculation of ion beam trajectories

    Energy Technology Data Exchange (ETDEWEB)

    Vogel, D.L.

    1985-10-01

    The WOLF code solves POISSON'S equation within a user-defined problem boundary of arbitrary shape. The code is compatible with ANSI FORTRAN and uses a two-dimensional Cartesian coordinate geometry represented on a triangular lattice. The vacuum electric fields and equipotential lines are calculated for the input problem. The use may then introduce a series of emitters from which particles of different charge-to-mass ratios and initial energies can originate. These non-relativistic particles will then be traced by WOLF through the user-defined region. Effects of ion and electron space charge are included in the calculation. A subprogram PISA forms part of this code and enables optimization of various aspects of the problem. The WOLF package also allows detailed graphics analysis of the computed results to be performed.

  15. An Implicit Three-Dimensional Meteorological Message for Artillery Trajectory Calculation

    Science.gov (United States)

    2013-11-01

    Calculation Procedures The message’s MET Datum Plane ( MDP ) corresponds to the model terrain height at the gun location. The message’s 32 zones (0–31) are...then set up with respect to the MDP in the same way as in a conventional METCM, so for example, zone 0 is the surface, 0–200-m above ground level (AGL...where ground level is defined as the MDP ) is zone 1, 200–500-m AGL is zone 2, and zones 3–11 are all 500 m thick extending from 500- to 5000-m AGL

  16. Quantum trajectories

    CERN Document Server

    Chattaraj, Pratim Kumar

    2010-01-01

    The application of quantum mechanics to many-particle systems has been an active area of research in recent years as researchers have looked for ways to tackle difficult problems in this area. The quantum trajectory method provides an efficient computational technique for solving both stationary and time-evolving states, encompassing a large area of quantum mechanics. Quantum Trajectories brings the expertise of an international panel of experts who focus on the epistemological significance of quantum mechanics through the quantum theory of motion.Emphasizing a classical interpretation of quan

  17. CLASSICAL CALCULATION METHODS OF COSTS AND THEIR LIMITS IN ACTUAL FRAME OF ROMANIAN ECONOMY. PRESENT TENDENCIES IN COSTS ACCOUNTANCY

    Directory of Open Access Journals (Sweden)

    Simona Dragomirescu

    2008-12-01

    Full Text Available Classical accountancy shaped and coagulated in an informational system grafted on traditional production systems, characterized by mass productions, planning etc. The powerful concentrations and grouping, economies globalization, both as offer and as demand, the new restrictions and economical opportunities and global environment technologies lead to a redefining of enterprises’ objectives. From the well-known “quantity and productivity”, the enterprise faced a new system of objectives: quality’s increase; terms and costs decrease; productivity; flexibility. In such conditions the need of “defining new methods” appeared, the need of adapting the fundamental calculation methods, their improvement – respective the appearance of modern methods of costs calculation.

  18. The ortho-to-para ratio of interstellar NH$_2$: Quasi-classical trajectory calculations and new simulations

    CERN Document Server

    Gal, Romane Le; Xie, Changjian; Li, Anyang; Guo, Hua

    2016-01-01

    Based on recent $Herschel$ results, the ortho-to-para ratio (OPR) of NH$_2$ has been measured towards the following high-mass star-forming regions: W31C (G10.6-0.4), W49N (G43.2-0.1), W51 (G49.5-0.4), and G34.3+0.1. The OPR at thermal equilibrium ranges from the statistical limit of three at high temperatures to infinity as the temperature tends toward zero, unlike the case of H$_{2}$. Depending on the position observed along the lines-of-sight, the OPR was found to lie either slightly below the high temperature limit of three (in the range $2.2-2.9$) or above this limit ($\\sim3.5$, $\\gtrsim 4.2$, and $\\gtrsim 5.0$). In low temperature interstellar gas, where the H$_{2}$ is para-enriched, our nearly pure gas-phase astrochemical models with nuclear-spin chemistry can account for anomalously low observed NH$_2$-OPR values. We have tentatively explained OPR values larger than three by assuming that spin thermalization of NH$_2$ can proceed at least partially by H-atom exchange collisions with atomic hydrogen, th...

  19. Kuang's Semi-Classical Formalism for Calculating Electron Capture Cross Sections: A Space- Physics Application

    Science.gov (United States)

    Barghouty, A. F.

    2014-01-01

    Accurate estimates of electroncapture cross sections at energies relevant to the modeling of the transport, acceleration, and interaction of energetic neutral atoms (ENA) in space (approximately few MeV per nucleon) and especially for multi-electron ions must rely on detailed, but computationally expensive, quantum-mechanical description of the collision process. Kuang's semi-classical approach is an elegant and efficient way to arrive at these estimates. Motivated by ENA modeling efforts for apace applications, we shall briefly present this approach along with sample applications and report on current progress.

  20. Quasi-classical trajectory study of the reaction N(4S) + H2 and its reverse reaction: Role of initial vibrational and rotational excitations in chemical stereodynamics

    Indian Academy of Sciences (India)

    Juan Zhang; Shunle Dong

    2013-07-01

    To investigate the effects of reagent vibrational and rotational states on the stereodynamical properties of the N(4S) + H2(, )→NH + H reaction and its reverse reaction of H(2S) + NH(, )→N(4S) + H2, we reported a detailed quasiclassical trajectory study using the 4A" double many-body expansion potential energy surface and at the collision energy of 35 kcal/mol. The density distribution of (r) as a function of the angle between and ', and that of (r) as a function of the dihedral angle between the plane containing -' and the plane containing '- ', the normal differential cross-sections as well as the averaged product rotational alignment parameter 〈 2('.) 〉 are calculated and reported. Comparison between the two reactions has showed that the degrees of alignment and orientation of products related to reagent rovibrational state have marked differences for the two reactive systems.

  1. Verifying calculations forty years on : an overview of classical verification techniques for FEM simulations

    CERN Document Server

    Díez, Pedro

    2016-01-01

    This work provides an overview of a posteriori error assessment techniques for Finite Element (FE) based numerical models. These tools aim at estimating and controlling the discretization error in scientific computational models, being the basis for the numerical verification of the FE solutions. The text discusses the capabilities and limitations of classical methods to build error estimates which can be used to control the quality of numerical simulations and drive adaptive algorithms, with a focus on Computational Mechanics engineering applications. Fundamentals principles of residual methods, smoothing (recovery) methods, and constitutive relation error (duality based) methods are thus addressed along the manuscript. Attention is paid to recent advances and forthcoming research challenges on related topics.  The book constitutes a useful guide for students, researchers, or engineers wishing to acquire insights into state-of-the-art techniques for numerical verification.

  2. Classical Calculations of Scattering Signatures from a Gravitational Singularity or the Scattering and Absorption Cross-Sections of a Black Hole

    Indian Academy of Sciences (India)

    Felix C. Difilippo

    2012-09-01

    Within the context of general relativity theory we calculate, analytically, scattering signatures around a gravitational singularity: angular and time distributions of scattered massive objects and photons and the time and space modulation of Doppler effects. Additionally, the scattering and absorption cross sections for the gravitational interactions are calculated. The results of numerical simulations of the trajectories are compared with the analytical results.

  3. Quasi-Classical Calculation of the Mixed-State Thermal Conductivity in s- and d-Wave Superconductors

    Science.gov (United States)

    Adachi, Hiroto; Miranović, Predrag; Ichioka, Masanori; Machida, Kazushige

    2007-06-01

    To see how superconducting gap structures affect the longitudinal component of mixed-state thermal conductivity κxx(B), the magnetic-field dependences of κxx(B) in s- and d-wave superconductors are investigated. Calculations are performed on the basis of the quasi-classical theory of superconductivity by fully taking account of the spatial variation of the normal Green’s function, neglected in previous works, by the Brandt-Pesch-Tewordt approximation. On the basis of our result, we discuss the possibility of κxx(B) measurement as a method of probing the gap structure.

  4. Classical approach in quantum physics

    CERN Document Server

    Solov'ev, Evgeni A

    2010-01-01

    The application of a classical approach to various quantum problems - the secular perturbation approach to quantization of a hydrogen atom in external fields and a helium atom, the adiabatic switching method for calculation of a semiclassical spectrum of hydrogen atom in crossed electric and magnetic fields, a spontaneous decay of excited states of a hydrogen atom, Gutzwiller's approach to Stark problem, long-lived excited states of a helium atom recently discovered with the help of Poincar$\\acute{\\mathrm{e}}$ section, inelastic transitions in slow and fast electron-atom and ion-atom collisions - is reviewed. Further, a classical representation in quantum theory is discussed. In this representation the quantum states are treating as an ensemble of classical states. This approach opens the way to an accurate description of the initial and final states in classical trajectory Monte Carlo (CTMC) method and a purely classical explanation of tunneling phenomenon. The general aspects of the structure of the semicla...

  5. Calculation of Bond-length, Bond-energy and Force Constant of Hydrogen Molecule by Classical Mechanics

    Institute of Scientific and Technical Information of China (English)

    ChenJing

    2004-01-01

    Until recently the hydrogen molecule structural parameters are calculated with the methods of quantum mechanics. To achieve results close to experimental values, the wave function used is complicated and has no clear physical meaning. Because the distribution of the electron probability density is a statistical rule, the macro-time has actually been used in the concept on a electron cloud graph. Here are obtained three formulas with a classical mechanics method on the bond-length re , bond-energy De and force constant k of the ground state hydrogen molecule, which have a clear physical meaning but no artificial parameters, and compared with experimental values, the relative errors are respectively less than 1% , 2% and 4% .

  6. Net charge changes in the calculation of relative ligand-binding free energies via classical atomistic molecular dynamics simulation.

    Science.gov (United States)

    Reif, Maria M; Oostenbrink, Chris

    2014-01-30

    The calculation of binding free energies of charged species to a target molecule is a frequently encountered problem in molecular dynamics studies of (bio-)chemical thermodynamics. Many important endogenous receptor-binding molecules, enzyme substrates, or drug molecules have a nonzero net charge. Absolute binding free energies, as well as binding free energies relative to another molecule with a different net charge will be affected by artifacts due to the used effective electrostatic interaction function and associated parameters (e.g., size of the computational box). In the present study, charging contributions to binding free energies of small oligoatomic ions to a series of model host cavities functionalized with different chemical groups are calculated with classical atomistic molecular dynamics simulation. Electrostatic interactions are treated using a lattice-summation scheme or a cutoff-truncation scheme with Barker-Watts reaction-field correction, and the simulations are conducted in boxes of different edge lengths. It is illustrated that the charging free energies of the guest molecules in water and in the host strongly depend on the applied methodology and that neglect of correction terms for the artifacts introduced by the finite size of the simulated system and the use of an effective electrostatic interaction function considerably impairs the thermodynamic interpretation of guest-host interactions. Application of correction terms for the various artifacts yields consistent results for the charging contribution to binding free energies and is thus a prerequisite for the valid interpretation or prediction of experimental data via molecular dynamics simulation. Analysis and correction of electrostatic artifacts according to the scheme proposed in the present study should therefore be considered an integral part of careful free-energy calculation studies if changes in the net charge are involved.

  7. Time-dependent wave packet quantum and quasi-classical trajectory study of He + H₂⁺, D₂⁺ → HeH⁺ + H, HeD⁺ + D reaction on an accurate FCI potential energy surface.

    Science.gov (United States)

    Zhao, Juan; Luo, Yi

    2012-03-15

    The quantum scattering dynamics and quasi-classical trajectory (QCT) calculations have been carried out for the title reaction on an accurate potential energy surface (PES) computed using the full configuration interaction (FCI). On the basis of the PES, the integral cross-sections of He + H₂⁺ (v = 0-3, j = 1) → HeH⁺ + H reaction have been calculated, and the results are generally agreed with the experimental cross-sections obtained by Tang et al. [J. Chem. Phys. 2005, 122, 164301] after taking into account the experimental uncertainties, which proves the reliability of implementing dynamics calculations on the FCI PES. The reaction probability of He + D₂⁺ (v = 0-2, j = 0) → HeD⁺ + D reactions for total angular momentum J = 0 and the integral cross-section (ICS) have been calculated. The significant quantum effect has been explored by the comparison between the QCT reaction probabilities (or ICS) and the quantum mechanical (QM) reaction probabilities (or ICS), which may be attributed to the deep well in the PES of this light atoms system. Furthermore, the role of Coriolis coupling (CC) effects has also been found not important by the comparison between the CC calculation and the centrifugal sudden (CS) approximation calculation, except that the CC total cross-sections for the v = 1 and 2 states show the collision energy-dependent behaviors in the low-energy area, which are different from those based on the CS calculation.

  8. On the Trajectories of Projectiles Depicted in Early Ballistic Woodcuts

    Science.gov (United States)

    Stewart, Sean M.

    2012-01-01

    Motivated by quaint woodcut depictions often found in many late 16th and 17th century ballistic manuals of cannonballs fired in air, a comparison of their shapes with those calculated for the classic case of a projectile moving in a linear resisting medium is made. In considering the asymmetrical nature of such trajectories, the initial launch…

  9. Classical mechanics without determinism

    OpenAIRE

    Nikolic, H.

    2005-01-01

    Classical statistical particle mechanics in the configuration space can be represented by a nonlinear Schrodinger equation. Even without assuming the existence of deterministic particle trajectories, the resulting quantum-like statistical interpretation is sufficient to predict all measurable results of classical mechanics. In the classical case, the wave function that satisfies a linear equation is positive, which is the main source of the fundamental difference between classical and quantum...

  10. Combined quantum mechanics (TDDFT) and classical electrodynamics (Mie theory) methods for calculating surface enhanced Raman and hyper-Raman spectra.

    Science.gov (United States)

    Mullin, Jonathan; Valley, Nicholas; Blaber, Martin G; Schatz, George C

    2012-09-27

    Multiscale models that combine quantum mechanics and classical electrodynamics are presented, which allow for the evaluation of surface-enhanced Raman (SERS) and hyper-Raman scattering spectra (SEHRS) for both chemical (CHEM) and electrodynamic (EM) enhancement mechanisms. In these models, time-dependent density functional theory (TDDFT) for a system consisting of the adsorbed molecule and a metal cluster fragment of the metal particle is coupled to Mie theory for the metal particle, with the surface of the cluster being overlaid with the surface of the metal particle. In model A, the electromagnetic enhancement from plasmon-excitation of the metal particle is combined with the chemical enhancement associated with a static treatment of the molecule-metal structure to determine overall spectra. In model B, the frequency dependence of the Raman spectrum of the isolated molecule is combined with the enhancements determined in model A to refine the enhancement estimate. An equivalent theory at the level of model A is developed for hyper-Raman spectra calculations. Application to pyridine interacting with a 20 nm diameter silver sphere is presented, including comparisons with an earlier model (denoted G), which combines plasmon enhanced fields with gas-phase Raman (or hyper-Raman) spectra. The EM enhancement factor for spherical particles at 357 nm is found to be 10(4) and 10(6) for SERS and SEHRS, respectively. Including both chemical and electromagnetic mechanisms at the level of model A leads to enhancements on the order of 10(4) and 10(9) for SERS and SEHRS.

  11. Zeno Paradox for Bohmian Trajectories: The Unfolding of the Metatron

    CERN Document Server

    de Gosson, Maurice

    2010-01-01

    We study an analogue of the quantum Zeno paradox for the Bohm trajectory of a sharply located particle (or a system of particles). We show that a continuously observed Bohm trajectory is the classical trajectory predicted by Hamiltonian mechanics.

  12. Kuang's Semi-Classical Formalism for Calculating Electron Capture Cross Sections and Sample Application for ENA Modeling

    Science.gov (United States)

    Barghouty, A. F.

    2013-01-01

    Accurate estimates of electron-capture cross sections at energies relevant to ENA modeling (approx. few MeV per nucleon) and for multi-electron ions must rely on detailed, but computationally expensive, quantummechanical description of the collision process. Kuang's semi-classical approach is an elegant and efficient way to arrive at these estimates. Motivated by ENA modeling efforts, we shall briefly present this approach along with sample applications and report on current progress.

  13. Galileo's Trajectory with Mild Resistance

    Science.gov (United States)

    Groetsch, C. W.

    2012-01-01

    An aspect of Galileo's classical trajectory that persists in a simple resistance model is noted. The resistive model provides a case study for the classroom analysis of limiting behaviour of an implicitly defined function. (Contains 1 note.)

  14. Classical approach in atomic physics

    Science.gov (United States)

    Solov'ev, E. A.

    2011-12-01

    The application of a classical approach to various quantum problems - the secular perturbation approach to quantization of a hydrogen atom in external fields and a helium atom, the adiabatic switching method for calculation of a semiclassical spectrum of a hydrogen atom in crossed electric and magnetic fields, a spontaneous decay of excited states of a hydrogen atom, Gutzwiller's approach to Stark problem, long-lived excited states of a helium atom discovered with the help of Poincaré section, inelastic transitions in slow and fast electron-atom and ion-atom collisions - is reviewed. Further, a classical representation in quantum theory is discussed. In this representation the quantum states are treated as an ensemble of classical states. This approach opens the way to an accurate description of the initial and final states in classical trajectory Monte Carlo (CTMC) method and a purely classical explanation of tunneling phenomenon. The general aspects of the structure of the semiclassical series such as renormgroup symmetry, criterion of accuracy and so on are reviewed as well.

  15. Classical approach in atomic physics

    Energy Technology Data Exchange (ETDEWEB)

    Solov' ev, E.A. [Bogoliubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation)

    2011-12-15

    The application of a classical approach to various quantum problems - the secular perturbation approach to quantization of a hydrogen atom in external fields and a helium atom, the adiabatic switching method for calculation of a semiclassical spectrum of a hydrogen atom in crossed electric and magnetic fields, a spontaneous decay of excited states of a hydrogen atom, Gutzwiller's approach to Stark problem, long-lived excited states of a helium atom discovered with the help of Poincare section, inelastic transitions in slow and fast electron-atom and ion-atom collisions - is reviewed. Further, a classical representation in quantum theory is discussed. In this representation the quantum states are treated as an ensemble of classical states. This approach opens the way to an accurate description of the initial and final states in classical trajectory Monte Carlo (CTMC) method and a purely classical explanation of tunneling phenomenon. The general aspects of the structure of the semiclassical series such as renormalization group symmetry, criterion of accuracy and so on are reviewed as well. (author)

  16. Quasi-bound complexes in collisions of different linear molecules: Classical trajectory study of their manifestations in rotational relaxation and spectral line broadening

    Science.gov (United States)

    Ivanov, Sergey V.

    2016-07-01

    Stable bimolecular complexes (tightly bound dimers) in the gas phase are usually created during third body stabilization of their unstable precursors-quasi-bound complexes (QCs). The latter can arise under the condition that at least one of the colliding partners has an internal degree of freedom. In this article, the principal difference between "orbitings" and QCs is demonstrated in the classical nonreactive scattering picture. Additionally, fractions of QCs in binary collisions of different linear molecules are compared. Also in the article the influence of QCs on rotational R-T relaxation and on vibration-rotational spectral line broadening is discussed. Explicit formulae shedding light on the QCs contribution to the R-T relaxation cross section and the line width and shift are presented. The obtained results emphasize the need for including QCs in every theoretical modeling of spectroscopic manifestation of intermolecular interactions. Besides the topics above, the possible manifestation of non-impact effects in the central regions of spectral lines due to QCs is stated. And finally, special consideration is given to the problem of adequate simulation of QCs formation at different pressures.

  17. Comparison of the interfacial energy and pre-exponential factor calculated from the induction time and metastable zone width data based on classical nucleation theory

    Science.gov (United States)

    Shiau, Lie-Ding

    2016-09-01

    The pre-exponential factor and interfacial energy obtained from the metastable zone width (MSZW) data using the integral method proposed by Shiau and Lu [1] are compared in this study with those obtained from the induction time data using the conventional method (ti ∝J-1) for three crystallization systems, including potassium sulfate in water in a 200 mL vessel, borax decahydrate in water in a 100 mL vessel and butyl paraben in ethanol in a 5 mL tube. The results indicate that the pre-exponential factor and interfacial energy calculated from the induction time data based on classical nucleation theory are consistent with those calculated from the MSZW data using the same detection technique for the studied systems.

  18. Modeling of amorphous SiCxO6/5 by classical molecular dynamics and first principles calculations

    Science.gov (United States)

    Liao, Ningbo; Zhang, Miao; Zhou, Hongming; Xue, Wei

    2017-02-01

    Polymer-derived silicon oxycarbide (SiCO) presents excellent performance for high temperature and lithium-ion battery applications. Current experiments have provided some information on nano-structure of SiCO, while it is very challenging for experiments to take further insight into the molecular structure and its relationship with properties of materials. In this work, molecular dynamics (MD) based on empirical potential and first principle calculation were combined to investigate amorphous SiCxO6/5 ceramics. The amorphous structures of SiCO containing silicon-centered mix bond tetrahedrons and free carbon were successfully reproduced. The calculated radial distribution, angular distribution and Young’s modulus were validated by current experimental data, and more details on molecular structure were discussed. The change in the slope of Young’s modulus is related to the glass transition temperature of the material. The proposed modeling approach can be used to predict the properties of SiCO with different compositions.

  19. Ab initio calculations on the spectroscopic constants,vibrational levels and classical turning points for the 21Πu state of dimer 7Li2

    Institute of Scientific and Technical Information of China (English)

    Liu Yu-Fang; Sun Jin-Feng; Ma Heng; Zhu Zun-Lue

    2007-01-01

    The accurate dissociation energy and harmonic frequency for the highly excited 21 Πu state of dimer 7Li2 have been calculated using a symmetry-adapted-cluster configuration-interaction method in complete active space.The calculated results are in excellent agreement with experimental measurements.The potential energy curves at numerous basis sets for this state are obtained over a wide internuclear separation range from about 2.4ao to 37.0ao.And the conclusion is gained that the basis set 6-311++G(d,p) is a most suitable one.The calculated spectroscopic constants De,Re,ωe,ωeχe,αe and Be at 6-311++G(d,p) are 0.9670 eV,0.3125 nm,238.6 cm-1,1.3705cm-1,0.0039 cm-1 and 0.4921 cm-1.respectively.The vibrational levels are calculated by solving the radial Schr(o)dinger equation of nuclear motion.A total of 53 vibrational levels are found and reported for the first time.The classical turning points have been computed.Comparing with the measurements,in which only the first nine vibrational levels have been obtained so far,the present calculations are very encouraging.A careful comparison of the present results of the parameters De and ωe with those obtained from previous theories clearly shows that the present calculations are much closer to the measurements than previous theoretical results,thus representing an improvement on the accuracy of the ab initio calculations of the potentials for this state.

  20. Complexity of trajectories in rectangular billiards

    CERN Document Server

    Baryshnikov, Yu

    1994-01-01

    To a trajectory of a billiard in a parallelogram we assign its symbolic trajectory --- the sequence of numbers of coordinate planes, to which the faces met by the trajectory are parallel. The complexity of the trajectory is the number of different words of length n occurring in it. We prove that for generic trajectories the complexity is well defined and calculate it, confirming the conjecture of Arnoux, Mauduit, Shiokawa and Tamura[AMST].

  1. Complexity of trajectories in rectangular billiards

    Science.gov (United States)

    Baryshnikov, Yu.

    1995-11-01

    To a trajectory of the billiard in a cube we assign its symbolic trajectory-the sequence of numbers of coordinate planes, to which the faces met by the trajectory are parallel. The complexity of the trajectory is the number of different words of lengthn occurring in it. We prove that for generic trajectories the complexity is well defined and calculate it, confirming the conjecture of Arnoux, Mauduit, Shiokawa and Tamura [AMST].

  2. Wigner phase space distribution via classical adiabatic switching

    Energy Technology Data Exchange (ETDEWEB)

    Bose, Amartya [Department of Chemistry, University of Illinois, 600 S. Goodwin Avenue, Urbana, Illinois 61801 (United States); Makri, Nancy [Department of Chemistry, University of Illinois, 600 S. Goodwin Avenue, Urbana, Illinois 61801 (United States); Department of Physics, University of Illinois, 1110 W. Green Street, Urbana, Illinois 61801 (United States)

    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 the 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.

  3. Free-energy calculations using classical molecular simulation: application to the determination of the melting point and chemical potential of a flexible RDX model.

    Science.gov (United States)

    Sellers, Michael S; Lísal, Martin; Brennan, John K

    2016-03-21

    We present an extension of various free-energy methodologies to determine the chemical potential of the solid and liquid phases of a fully-flexible molecule using classical simulation. The methods are applied to the Smith-Bharadwaj atomistic potential representation of cyclotrimethylene trinitramine (RDX), a well-studied energetic material, to accurately determine the solid and liquid phase Gibbs free energies, and the melting point (Tm). We outline an efficient technique to find the absolute chemical potential and melting point of a fully-flexible molecule using one set of simulations to compute the solid absolute chemical potential and one set of simulations to compute the solid-liquid free energy difference. With this combination, only a handful of simulations are needed, whereby the absolute quantities of the chemical potentials are obtained, for use in other property calculations, such as the characterization of crystal polymorphs or the determination of the entropy. Using the LAMMPS molecular simulator, the Frenkel and Ladd and pseudo-supercritical path techniques are adapted to generate 3rd order fits of the solid and liquid chemical potentials. Results yield the thermodynamic melting point Tm = 488.75 K at 1.0 atm. We also validate these calculations and compare this melting point to one obtained from a typical superheated simulation technique.

  4. Transmission Enhancement of High-$k$ Waves through Metal-InGaAsP Multilayers Calculated via Scattering Matrix Method with Semi-Classical Optical Gain

    CERN Document Server

    Smalley, Joseph S T; Shahin, Shiva; Kanté, Boubacar; Fainman, Yeshaiahu

    2015-01-01

    We analyze the steady-state transmission of high-momentum (high-$k$) electromagnetic waves through metal-semiconductor multilayer systems with loss and gain in the near-infrared (NIR). Using a semi-classical optical gain model in conjunction with the scattering matrix method (SMM), we study indium gallium arsenide phosphide (InGaAsP) quantum wells as the active semiconductor, in combination with the metals, aluminum-doped zinc oxide (AZO) and silver (Ag). Under moderate external pumping levels, we find that NIR transmission through Ag/InGaAsP systems may be enhanced by several orders of magnitude relative to the unpumped case, over a large angular and frequency bandwidth. Conversely, transmission enhancement through AZO/InGaAsP systems is orders of magnitude smaller, and has a strong frequency dependence. We discuss the relative importance of Purcell enhancement on our results and validate analytical calculations based on the SMM with numerical finite-difference time domain simulations.

  5. Spacecraft aerodynamics and trajectory simulation during aerobraking

    Institute of Scientific and Technical Information of China (English)

    Wen-pu ZHANG; Bo HAN; Cheng-yi ZHANG

    2010-01-01

    This paper uses a direct simulation Monte Carlo(DSMC)approach to simulate rarefied aerodynamic characteristics during the aerobraking process of the NASA Mars Global Surveyor(MGS)spacecraft.The research focuses on the flowfield and aerodynamic characteristics distribution under various free stream densities.The variation regularity of aerodynamic coefficients is analyzed.The paper also develops an aerodynamics-aeroheating-trajectory integrative simulation model to preliminarily calculate the aerobraking orbit transfer by combining the DSMC technique and the classical kinematics theory.The results show that the effect of the planetary atmospheric density,the spacecraft yaw,and the pitch attitudes on the spacecraft aerodynamics is significant.The numerical results are in good agreement with the existing results reported in the literature.The aerodynamics-aeroheating-trajectory integrative simulation model can simulate the orbit tran,sfer in the complete aerobraking mission.The current results of the spacecraft trajectory show that the aerobraking maneuvers have good performance of attitude control.

  6. Thermodynamic integration based on classical atomistic simulations to determine the Gibbs energy of condensed phases: Calculation of the aluminum-zirconium system

    Science.gov (United States)

    Harvey, J.-P.; Gheribi, A. E.; Chartrand, P.

    2012-12-01

    In this work, an in silico procedure to generate a fully coherent set of thermodynamic properties obtained from classical molecular dynamics (MD) and Monte Carlo (MC) simulations is proposed. The procedure is applied to the Al-Zr system because of its importance in the development of high strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of the studied condensed phases of the Al-Zr system (the liquid phase, the fcc solid solution, and various orthorhombic stoichiometric compounds) are calculated using the modified embedded atom model (MEAM) in the second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is parameterized in this work using ab initio and experimental data found in the literature for the AlZr3-L12 structure, while its predictive ability is confirmed for several other solid structures and for the liquid phase. The thermodynamic integration (TI) method is implemented in a general MC algorithm in order to evaluate the absolute Gibbs energy of the liquid and the fcc solutions. The entropy of mixing calculated from the TI method, combined to the enthalpy of mixing and the heat capacity data generated from MD/MC simulations performed in the isobaric-isothermal/canonical (NPT/NVT) ensembles are used to parameterize the Gibbs energy function of all the condensed phases in the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams (CALPHAD) approach. The modified quasichemical model in the pair approximation (MQMPA) and the cluster variation method (CVM) in the tetrahedron approximation are used to define the Gibbs energy of the liquid and the fcc solid solution respectively for their entire range of composition. Thermodynamic and structural data generated from our MD/MC simulations are used as input data to parameterize these thermodynamic models. A detailed analysis of the validity and transferability of the Al-Zr MEAM-2NN potential is presented throughout our work by comparing the predicted properties obtained

  7. On the classical limit of Bohmian mechanics for Hagedorn wave packets

    CERN Document Server

    Dürr, Detlef

    2010-01-01

    We consider the classical limit of quantum mechanics in terms of Bohmian trajectories. For wave packets as defined by Hagedorn we show that the Bohmian trajectories converge to Newtonian trajectories in probability.

  8. Quasiclassical trajectory and wave packet calculations for D + CaCl(X2Σ+; vi = 0, ji = 0) → DCl + Ca(1S) reaction

    Science.gov (United States)

    Tan, Rui Shan; Yan, Wei; Lin, Shi Ying

    2017-01-01

    A computational study for the title reaction is carried out employing recent ab initio potential energy surface. J = 0 reaction probability is obtained using both quasiclassical trajectory (QCT) and wave packet methods. The total and state resolved integral as well as differential cross sections are also obtained by means of QCT method. Dynamics of the title reaction shows qualitative similarity with its isotopic counterpart, the H + CaCl reaction, but quantitatively, reactivity is significantly enhanced in the title reaction. In addition, the effect of initial rotational state excitation on H + CaCl reaction is investigated.

  9. A trajectory description of quantum processes. II. Applications. A Bohmian perspective

    Energy Technology Data Exchange (ETDEWEB)

    Sanz, Angel S.; Miret-Artes, Salvador [CSIC, Madrid (Spain). Inst. de Fisica Fundamental (IFF-CSIC)

    2014-07-01

    Presents a thorough introduction to, and treatment of, trajectory-based quantum-mechanical calculations. Useful for a wide range of scattering problems. Presents the applications of the trajectory description of basic quantum processes. Trajectory-based formalisms are an intuitively appealing way of describing quantum processes because they allow the use of ''classical'' concepts. Beginning as an introductory level suitable for students, this two-volume monograph presents (1) the fundamentals and (2) the applications of the trajectory description of basic quantum processes. This second volume is focussed on simple and basic applications of quantum processes such as interference and diffraction of wave packets, tunneling, diffusion and bound-state and scattering problems. The corresponding analysis is carried out within the Bohmian framework. By stressing its interpretational aspects, the book leads the reader to an alternative and complementary way to better understand the underlying quantum dynamics.

  10. Classical antiparticles

    Energy Technology Data Exchange (ETDEWEB)

    Costella, J.P.; McKellar, B.H.J.; Rawlinson, A.A.

    1997-03-01

    We review how antiparticles may be introduced in classical relativistic mechanics, and emphasize that many of their paradoxical properties can be more transparently understood in the classical than in the quantum domain. (authors). 13 refs., 1 tab.

  11. Classical antiparticles

    CERN Document Server

    Costella, J P; Rawlinson, A A; Costella, John P.; Kellar, Bruce H. J. Mc; Rawlinson, Andrew A.

    1997-01-01

    We review how antiparticles may be introduced in classical relativistic mechanics, and emphasize that many of their paradoxical properties can be more transparently understood in the classical than in the quantum domain.

  12. Acceleration of Classical Mechanics by Phase Space Constraints.

    Science.gov (United States)

    Martínez-Núñez, Emilio; Shalashilin, Dmitrii V

    2006-07-01

    In this article phase space constrained classical mechanics (PSCCM), a version of accelerated dynamics, is suggested to speed up classical trajectory simulations of slow chemical processes. The approach is based on introducing constraints which lock trajectories in the region of the phase space close to the dividing surface, which separates reactants and products. This results in substantial (up to more than 2 orders of magnitude) speeding up of the trajectory simulation. Actual microcanonical rates are calculated by introducing a correction factor equal to the fraction of the phase volume which is allowed by the constraints. The constraints can be more complex than previously used boosting potentials. The approach has its origin in Intramolecular Dynamics Diffusion Theory, which shows that the majority of nonstatistical effects are localized near the transition state. An excellent agreement with standard trajectory simulation at high energies and Monte Carlo Transition State Theory at low energies is demonstrated for the unimolecular dissociation of methyl nitrite, proving that PSCCM works both in statistical and nonstatistical regimes.

  13. Three-stage classical molecular dynamics model for simulation of heavy-ion fusion

    Directory of Open Access Journals (Sweden)

    Godre Subodh S.

    2015-01-01

    Full Text Available A three-stage Classical Molecular Dynamics (3S-CMD approach for heavy-ion fusion is developed. In this approach the Classical Rigid-Body Dynamics simulation for heavy-ion collision involving light deformed nucleus is initiated on their Rutherford trajectories at very large initial separation. Collision simulation is then followed by relaxation of the rigid-body constrains for one or both the colliding nuclei at distances close to the barrier when the trajectories of all the nucleons are obtained in a Classical Molecular Dynamics approach. This 3S-CMD approach explicitly takes into account not only the long range Coulomb reorientation of the deformed collision partner but also the internal vibrational excitations of one or both the nuclei at distances close to the barrier. The results of the dynamical simulation for 24Mg+208Pb collision show significant modification of the fusion barrier and calculated fusion cross sections due to internal excitations.

  14. Radiation from relativistic electrons in "light" and in conventional undulators. Classical and quantum approaches

    Science.gov (United States)

    Potylitsyn, A. P.; Kolchuzhkin, A. M.; Strokov, S. A.

    2016-07-01

    A photon spectrum of undulator radiation (UR) is calculated in the semi-classical approach. The UR intensity spectrum is determined by an electron trajectory in the undulator neglecting by energy losses for radiation. Using the Planck's law, the UR photon spectrum can be calculated from the classical intensity spectrum both for linear and nonlinear regimes. The radiation of an electron in a field of strong electromagnetic wave (radiation in the "light" undulator) is considered in the quantum electromagnetic frame. Comparison of results obtained by both approaches has been shown that UR spectra in the whole cone coincide with high accuracy for the case xbeam were simulated with taking into account the discrete process of photon emission along an electron trajectory in both kinds of undulators.

  15. Classics Online.

    Science.gov (United States)

    Clayman, Dee L.

    1995-01-01

    Appraises several databases devoted to classical literature. Thesaurus Linguae Graecae (TLG) contains the entire extant corpus of ancient Greek literature, including works on lexicography and historiography, extending into the 15th century. Other works awaiting completion are the Database of Classical Bibliography and a CD-ROM pictorial dictionary…

  16. Classical integrability

    Science.gov (United States)

    Torrielli, Alessandro

    2016-08-01

    We review some essential aspects of classically integrable systems. The detailed outline of the sections consists of: 1. Introduction and motivation, with historical remarks; 2. Liouville theorem and action-angle variables, with examples (harmonic oscillator, Kepler problem); 3. Algebraic tools: Lax pairs, monodromy and transfer matrices, classical r-matrices and exchange relations, non-ultralocal Poisson brackets, with examples (non-linear Schrödinger model, principal chiral field); 4. Features of classical r-matrices: Belavin-Drinfeld theorems, analyticity properties, and lift of the classical structures to quantum groups; 5. Classical inverse scattering method to solve integrable differential equations: soliton solutions, spectral properties and the Gel’fand-Levitan-Marchenko equation, with examples (KdV equation, Sine-Gordon model). Prepared for the Durham Young Researchers Integrability School, organised by the GATIS network. This is part of a collection of lecture notes.

  17. Soccer ball lift coefficients via trajectory analysis

    Energy Technology Data Exchange (ETDEWEB)

    Goff, John Eric [Department of Physics, Lynchburg College, Lynchburg, VA 24501 (United States); Carre, Matt J, E-mail: goff@lynchburg.ed [Department of Mechanical Engineering, University of Sheffield, Sheffield S1 3JD (United Kingdom)

    2010-07-15

    We performed experiments in which a soccer ball was launched from a machine while two high-speed cameras recorded portions of the trajectory. Using the trajectory data and published drag coefficients, we extracted lift coefficients for a soccer ball. We determined lift coefficients for a wide range of spin parameters, including several spin parameters that have not been obtained by today's wind tunnels. Our trajectory analysis technique is not only a valuable tool for professional sports scientists, it is also accessible to students with a background in undergraduate-level classical mechanics.

  18. Trajectory Optimization: OTIS 4

    Science.gov (United States)

    Riehl, John P.; Sjauw, Waldy K.; Falck, Robert D.; Paris, Stephen W.

    2010-01-01

    The latest release of the Optimal Trajectories by Implicit Simulation (OTIS4) allows users to simulate and optimize aerospace vehicle trajectories. With OTIS4, one can seamlessly generate optimal trajectories and parametric vehicle designs simultaneously. New features also allow OTIS4 to solve non-aerospace continuous time optimal control problems. The inputs and outputs of OTIS4 have been updated extensively from previous versions. Inputs now make use of objectoriented constructs, including one called a metastring. Metastrings use a greatly improved calculator and common nomenclature to reduce the user s workload. They allow for more flexibility in specifying vehicle physical models, boundary conditions, and path constraints. The OTIS4 calculator supports common mathematical functions, Boolean operations, and conditional statements. This allows users to define their own variables for use as outputs, constraints, or objective functions. The user-defined outputs can directly interface with other programs, such as spreadsheets, plotting packages, and visualization programs. Internally, OTIS4 has more explicit and implicit integration procedures, including high-order collocation methods, the pseudo-spectral method, and several variations of multiple shooting. Users may switch easily between the various methods. Several unique numerical techniques such as automated variable scaling and implicit integration grid refinement, support the integration methods. OTIS4 is also significantly more user friendly than previous versions. The installation process is nearly identical on various platforms, including Microsoft Windows, Apple OS X, and Linux operating systems. Cross-platform scripts also help make the execution of OTIS and post-processing of data easier. OTIS4 is supplied free by NASA and is subject to ITAR (International Traffic in Arms Regulations) restrictions. Users must have a Fortran compiler, and a Python interpreter is highly recommended.

  19. Hybrid trajectory spaces

    NARCIS (Netherlands)

    Collins, P.J.

    2005-01-01

    In this paper, we present a general framework for describing and studying hybrid systems. We represent the trajectories of the system as functions on a hybrid time domain, and the system itself by its trajectory space, which is the set of all possible trajectories. The trajectory space is given a na

  20. Rotational excitation of water by hydrogen molecules: comparison of results from classical and quantum mechanics.

    Science.gov (United States)

    Faure, Alexandre; Wiesenfeld, Laurent; Wernli, Michael; Valiron, Pierre

    2006-06-07

    Quasiclassical trajectory calculations are carried out for rotational excitation of water by hydrogen molecules. State-to-state rate coefficients are determined at 100 K and are compared to available quantum results. A good agreement between classical and quantum rates is observed for downward transitions, with an average accuracy of classical results better than a factor of 2. It is thus found that the ambiguities described by Faure and Wiesenfeld [J. Chem. Phys. 121, 6771 (2004)] can be solved in the particular case of waterlike asymmetric-top molecules.

  1. Removing the barrier to the calculation of activation energies

    Science.gov (United States)

    Mesele, Oluwaseun O.; Thompson, Ward H.

    2016-10-01

    Approaches for directly calculating the activation energy for a chemical reaction from a simulation at a single temperature are explored with applications to both classical and quantum systems. The activation energy is obtained from a time correlation function that can be evaluated from the same molecular dynamics trajectories or quantum dynamics used to evaluate the rate constant itself and thus requires essentially no extra computational work.

  2. Combined linear response quantum mechanics and classical electrodynamics (QM/ED) method for the calculation of surface-enhanced Raman spectra.

    Science.gov (United States)

    Mullin, Jonathan; Schatz, George C

    2012-03-01

    A multiscale method is presented that allows for evaluation of plasmon-enhanced optical properties of nanoparticle/molecule complexes with no additional cost compared to standard electrodynamics (ED) and linear response quantum mechanics (QM) calculations for the particle and molecule, respectively, but with polarization and orientation effects automatically described. The approach first calculates the total field of the nanoparticle by ED using the finite difference time domain (FDTD) method. The field intensity in the frequency domain as a function of distance from the nanoparticle is calculated via a Fourier transform. The molecular optical properties are then calculated with QM in the frequency domain in the presence of the total field of the nanoparticle. Back-coupling due to dipolar reradiation effects is included in the single-molecule plane wave approximation. The effects of polarization and partial orientation averaging are considered. The QM/ED method is evaluated for the well-characterized test case of surface-enhanced Raman scattering (SERS) of pyridine bound to silver, as well as for the resonant Raman chromophore rhodamine 6G. The electromagnetic contribution to the enhancement factor is 10(4) for pyridine and 10(2) for rhodamine 6G.

  3. Trajectory study of supercollision relaxation in highly vibrationally excited pyrazine and CO2.

    Science.gov (United States)

    Li, Ziman; Sansom, Rebecca; Bonella, Sara; Coker, David F; Mullin, Amy S

    2005-09-01

    Classical trajectory calculations were performed to simulate state-resolved energy transfer experiments of highly vibrationally excited pyrazine (E(vib) = 37,900 cm(-1)) and CO(2), which were conducted using a high-resolution transient infrared absorption spectrometer. The goal here is to use classical trajectories to simulate the supercollision energy transfer pathway wherein large amounts of energy are transferred in single collisions in order to compare with experimental results. In the trajectory calculations, Newton's laws of motion are used for the molecular motion, isolated molecules are treated as collections of harmonic oscillators, and intermolecular potentials are formed by pairwise Lennard-Jones potentials. The calculations qualitatively reproduce the observed energy partitioning in the scattered CO(2) molecules and show that the relative partitioning between bath rotation and translation is dependent on the moment of inertia of the bath molecule. The simulations show that the low-frequency modes of the vibrationally excited pyrazine contribute most to the strong collisions. The majority of collisions lead to small DeltaE values and primarily involve single encounters between the energy donor and acceptor. The large DeltaE exchanges result from both single impulsive encounters and chattering collisions that involve multiple encounters.

  4. Classical Mechanics

    OpenAIRE

    Gallavotti, Giovanni

    2012-01-01

    This is the English version of a friendly graduate course on Classical Mechanics, containing about 80% of the material I covered during the January-June 1999 semester at IFUG in the Mexican city of Leon. For the Spanish version, see physics/9906066

  5. Classical reaction probabilities, cross sections and rate constants for the O( 1D) + H2 → OH + H reaction

    Science.gov (United States)

    Alexander, A. J.; Aoiz, F. J.; Bañares, L.; Brouard, M.; Herrero, V. J.; Simons, J. P.

    1997-10-01

    Reaction probabilitiers total reaction cross sections as a function of collision energy, and rate constants have been calculated using the quasi-classical trajectory (QCT) method for the O( 1D) + H 2 reaction on several ab initio potential energy surfaces (PES), including the recent one by Ho, Hollebeck, Rabitz, Harding and Schatz. Detailed QCT results on the Schinke and Lester PES are compared with recent time-dependent wavepacket calculations on the same PES, showing good agreement. The QCT thermal rate constants calculated on the PES of Ho et al. are in better accord with the experimental determinations than those calculated on the Schinke-Lester PES.

  6. Quantum trajectories based on the weak value

    Science.gov (United States)

    Mori, Takuya; Tsutsui, Izumi

    2015-04-01

    The notion of the trajectory of an individual particle is strictly inhibited in quantum mechanics because of the uncertainty principle. Nonetheless, the weak value, which has been proposed as a novel and measurable quantity definable to any quantum observable, can offer a possible description of trajectory on account of its statistical nature. In this paper, we explore the physical significance provided by this "weak trajectory" by considering various situations where interference takes place simultaneously with the observation of particles, that is, in prototypical quantum situations for which no classical treatment is available. These include the double slit experiment and Lloyd's mirror, where in the former case it is argued that the real part of the weak trajectory describes an average over the possible classical trajectories involved in the process, and that the imaginary part is related to the variation of interference. It is shown that this average interpretation of the weak trajectory holds universally under the complex probability defined from the given transition process. These features remain essentially unaltered in the case of Lloyd's mirror where interference occurs with a single slit.

  7. On the electrical properties of the Bi2-ySryIr2O7 pyrochlore solid solution: Quantum ab initio and classic calculations

    Science.gov (United States)

    de la Mora, Pablo; Cosio-Castañeda, Carlos; Martinez-Anaya, Oliver; Morales, Francisco; Tavizon, Gustavo

    2016-09-01

    In this work, a theoretical study of the electrical properties of the Bi2-ySryIr2O7 (Bi2-ySryIr2O16O2) α-pyrochlore-type solid solution is presented. Quantum ab initio DFT(WIEN2k) calculations were performed in order to understand the electrical resistivity changes associated to the Bi substitution by Sr in this system. The main crystallographic modification associated to this substitution is the x position of the 48f oxygen (x, 1/8 , 1/8 ) (O1); this substitution substantially modifies the Bi/Sr-O1 and Ir-O1 atomic distances, increasing the former and diminishing the latter. Experimentally, the Bi2-ySryIr2O7 samples are metallic and the electrical resistivity increases with the Sr content. Electronic structure calculations for Bi2Ir2O7 and BiSrIr2O7 show that, regardless of structural changes, there is only a small change of electrical conductivity with the Sr substitution, and the experimentally observed increase of the resistivity can be explained in terms of a larger impact on the electronic structure of both; the Sr 'impurities' as well as of the thermal Sr oscillations.

  8. Quantum Tunneling and Complex Trajectories

    Science.gov (United States)

    Meynig, Max; Haggard, Hal

    2017-01-01

    In general, the semiclassical approximation of quantum mechanical tunneling fails to treat tunneling through barriers if real initial conditions and trajectories are used. By analytically continuing classical dynamics to the complex plane the problems encountered in the approximation can be resolved. While, the complex methods discussed here have been previously explored, no one has exhibited an analytically solvable case. The essential features of the complex method will be discussed in the context of a novel, analytically solvable problem. These methods could be useful in quantum gravity, with applications to the tunneling of spacetime geometries.

  9. NUCLEAR CROSS-SECTION CALCULATIONS IN THE 1 MEV TO 5 GEV RANGE WITH COMBINED SEMI-CLASSICAL AND QUANTUM MECHANICAL MODELS

    Energy Technology Data Exchange (ETDEWEB)

    Guimaraes, F.B.

    2002-03-07

    In this work we describe neutron and proton induced reaction cross-sections for iron produced by the codes TNG and CEM95 in the 5 to 300 MeV energy range. TNG calculations cover the 5-90 MeV range, while CEM95 covers the 50-300 MeV high energy range. The two codes show some disagreements in the overlap energy range, both among themselves and with the experimental data, which are presently being addressed. The experimental data used are from NNDC and/or from LA150 NSE references. We also describe some developments for combining TNG and CEM95 into a new code called CETNG (Cascade Exciton TNG).

  10. OPTIMAL TRAJECTORY PLANNING OF MANIPULATORS: A REVIEW

    Directory of Open Access Journals (Sweden)

    ATEF A. ATA

    2007-04-01

    Full Text Available Optimal motion planning is very important to the operation of robot manipulators. Its main target is the generation of a trajectory from start to goal that satisfies objectives, such as minimizing path traveling distance or time interval, lowest energy consumption or obstacle avoidance and satisfying the robot’s kinematics and dynamics. Review, discussion and analysis of optimization techniques to find the optimal trajectory either in Cartesian space or joint space are presented and investigated. Optimal trajectory selection approaches such as kinematics and dynamics techniques with various constraints are presented and explained. Although the kinematics approach is simple and straight forward, it will experience some problems in implementation because of lack of Inertia and torque constraints. The application of Genetic Algorithms to find the optimal trajectory of manipulators especially in the obstacle avoidance is also highlighted. Combining the Genetic Algorithms with other classical optimization methods proves to have better performance as a hybrid optimization technique.

  11. Trajectory selection in high harmonic generation by controlling the phase between orthogonal two-color fields.

    Science.gov (United States)

    Brugnera, Leonardo; Hoffmann, David J; Siegel, Thomas; Frank, Felix; Zaïr, Amelle; Tisch, John W G; Marangos, Jonathan P

    2011-10-07

    We demonstrate control of short and long quantum trajectories in high harmonic emission through the use of an orthogonally polarized two-color field. By controlling the relative phase ϕ between the two fields we show via classical and quantum calculations that we can steer the two-dimensional trajectories to return, or not, to the core and so control the relative strength of the short or long quantum trajectory contribution. In experiments, we demonstrate that this leads to robust control over the trajectory contributions using a drive field from a femtosecond laser composed of the fundamental ω at 800 nm (intensity ∼1.2×10(14)  W cm(-2)) and its weaker orthogonally polarized second harmonic 2ω (intensity ∼0.3×10(14)  W cm(-2)) with the relative phase between the ω and 2ω fields varied simply by tilting a fused silica plate. This is the first demonstration of short and long quantum trajectory control at the single-atom level.

  12. Computing with spatial trajectories

    CERN Document Server

    2011-01-01

    Covers the fundamentals and the state-of-the-art research inspired by the spatial trajectory data Readers are provided with tutorial-style chapters, case studies and references to other relevant research work This is the first book that presents the foundation dealing with spatial trajectories and state-of-the-art research and practices enabled by trajectories

  13. Seven Steps Towards the Classical World

    CERN Document Server

    Allori, V; Goldstein, S; Zanghì, N; Allori, Valia; Goldstein, Shelly; Zangh\\'{\\i}, Nino

    2001-01-01

    Classical physics is about real objects, like apples falling from trees, whose motion is governed by Newtonian laws. In standard Quantum Mechanics only the wave function or the results of measurements exist, and to answer the question of how the classical world can be part of the quantum world is a rather formidable task. However, this is not the case for Bohmian mechanics, which, like classical mechanics, is a theory about real objects. In Bohmian terms, the problem of the classical limit becomes very simple: when do the Bohmian trajectories look Newtonian?

  14. Part i: the Quadratic Pade Method for Calculating Local Densities of States. Part II: Classical Stochasticity and Ionisation in a Square Potential Well Driven by AN Oscillating Laser Field.

    Science.gov (United States)

    Mayer, Ilan Lippa

    Part I. A new method of calculating local densities of states from the moments of the Hamiltonian is developed and studied. A finite number of moments of the Hamiltonian at a given lattice site are first calculated. The quadratic Pade approximant, which is a special case of the Hermite -Pade approximant, is then used to obtain an approxi- mation for the local Green function. The local density of states is then obtained from there. The new method was tested on several cases, which included regular lattices, a regular binary alloy, the semi-infinite simple cubic lattice, and a realistic model for the valence band of silicon. The results have been compared with those obtained from other methods. The new method produces fairly accurate results in most parts of the energy band(s) if the number of singularity points is small. The accuracy obtained is comparable to or better than that of other methods of similar generality and complexity. Part II. A square potential well can be experimentally fabricated, and used in quantum well lasers. By irradiating it with a driving laser beam the quantum well laser can be made tunable. When the number of quantum emergy levels is fairly large, the behaviour of the electrons in the well can be studied by means of classical dynamics. The presence of the oscillating laser field causes the motion of the electrons to become stochastic, and thus they can escape from the well into the conduction band. Stochasticity and ionisation have been studied by looking at the solutions to the classical equations of motion. Their dependence on the frequency and intensity of the driving laser has been studied for square wells of different dimensions. The classical ionisation rate has been found to bear the charac- teristics of a multiphoton ionisation process. This unusual behaviour has been explained as the effect of the higher harmonics of the oscillating square potential well, as seen by the electron. Finally, an experimental study of this physical

  15. Trajectory study of dissociation reactions. The single-ensemble method. II

    Science.gov (United States)

    Kutz, H. Douglas; Burns, George

    1981-04-01

    The single uniform ensemble method was previously employed in 3D classical trajectory calculations [H. D. Kutz and G. Burns, J. Chem. Phys. 72, 3652 (1980)]. Presently it is applied to the Br2+Ar system to study nonequilbrium effects in diatom dissociation over a wide temperature range. It was found that, for a given large set of trajectories, observables, such as reaction cross sections or rate constants, are indepedent within four significant figures of the initial distribution function. This indicates a high degree of reliability of the single uniform ensemble method, once the choice of a set of trajectories is made. In order to study dissociation from the low lying energy states, the uniform velocity selection method in trajectory calculations was used. It was found that dissociation from these states contributes but little to the overall dissociation reaction. The latter finding is consistent with the attractive nature of the potential energy surface used, and constitutes an argument against those current theories of diatom dissociation reaction which explains experimental data by postulating a high probability of dissociation from low lying energy states of diatoms. It was found that the contribution from the low lying states to dissociation can be estimated with good accuracy using information theory expressions. Temperature dependence of nonequilibrium effects was investigated between 1 500 and 6 000 °K. In this range the nonequilibrium correction factor varies between 0.2 and 0.5. Angular momentum dependence of such observables as reaction rate constant and reaction cross section was investigated.

  16. [Classical taxomomies].

    Science.gov (United States)

    Liubarskiĭ, G Iu

    2006-01-01

    The sequence of classic paradigms in taxonomy that partly replaced each other and partly co-exist is given as follows: the theory of "organ and organism similarity", the naturalistic theory, the descriptive theory, and the phylogenetic theory. The naturalistic classics accepted the notion of "the plan of creation". The rejection of appealing to this plan brought forth certain problems in the formulation of the purpose of taxonomy; these problems were differently solved by the descriptive and the phylogenetic classic traditions. The difficulties of the current paradigms arising from the loss of a "strong purpose", a problem to be solved by taxonomists that is to be clear and interesting to a wide range of non-professionals. The paradox of formalization led to the losing of content of the methods due to their formalization. To attract attention to taxonomy, a new "image of the results" of its work that would be interesting to the non-professionals is necessary. The co-existence of different methods of reseach applied to different groups of facts leads to the loss of integrity of the research. It is not only that the taxon becomes a hypothesis and such hypotheses multiply. The comparison of these hypotheses is problematic, because each of them is supported by its own independent scope of facts. Because of the existence of a fundamental meronotaxonomic discrepancy, taxonomic systems based on different groups of characters appear to be incomparable, being rather systems of characters than systems of taxa. Systems of characters are not directly comparable with each other; they can be compared only through appealing to taxa, but taxa themselves exist only in the form of a number of hypotheses. Consequently, each separate taxonomic approach creates its own nature, its own subject of research. Therefore, it is necessary to describe the subject of research correctly (and indicate the purpose of research), as well as to distinguish clearly between results achieved through

  17. Classical and quantum studies of the photodissociation of a HX (X=Cl,F) molecule adsorbed on ice.

    Science.gov (United States)

    Woittequand, S; Duflot, D; Monnerville, M; Pouilly, B; Toubin, C; Briquez, S; Meyer, H-D

    2007-10-28

    The photodissociation dynamics of a HX (X = Cl,F) molecule adsorbed on a hexagonal ice surface at T = 0 K is studied using time-dependent quantum wave packets and quasiclassical trajectories. The relevant potential energy surfaces are calculated using high-level ab initio methods. We present here two dimensional calculations for the dynamics of the hydrogen photofragment for both HCl and HF molecules. The purpose of this paper is to compare the photodissociation dynamics of the two molecules which are adsorbed on the ice surface with different equilibrium geometries. The total photodissociation cross section and the angular distribution are calculated. The comparison with classical trajectory calculations provides evidence for typical quantum effects and reveals rainbow structures.

  18. Ambiguities in Quantizing a Classical System

    CERN Document Server

    Redmount, I H; Young, K; Redmount, Ian; Suen, Wai-Mo; Young, Kenneth

    1999-01-01

    One classical theory, as determined by an equation of motion or set of classical trajectories, can correspond to many unitarily {\\em in}equivalent quantum theories upon canonical quantization. This arises from a remarkable ambiguity, not previously investigated, in the construction of the classical (and hence the quantized) Hamiltonian or Lagrangian. This ambiguity is illustrated for systems with one degree of freedom: An arbitrary function of the constants of motion can be introduced into this construction. For example, the nonrelativistic and relativistic free particles follow identical classical trajectories, but the Hamiltonians or Lagrangians, and the canonically quantized versions of these descriptions, are inequivalent. Inequivalent descriptions of other systems, such as the harmonic oscillator, are also readily obtained.

  19. Classical and quantum proton vibration in a nonharmonic strongly coupled system

    Science.gov (United States)

    McDonald, K. M.; Thorson, W. R.; Choi, J. H.

    1993-09-01

    Classical and quantum descriptions of proton vibration are compared for a coupled nonharmonic model based on an ab initio potential for the bifluoride ion, [FHF]-. Accurate quantum calculations and exact classical dynamics are compared with quantum and classical versions of the self-consistent-field (SCF) approximation. Semiclassical and quantum SCF eigenvalues agree within JWKB-type errors. The SCF scheme closely approximates exact quantum states for the lowest 4-5 vibrational levels of each symmetry, except at avoided crossings where strong CI mixing of SCF levels occurs. True classical motion, however, is mainly irregular except at very low energies, and even where it remains regular it may be strongly reorganized by a 1:1 periodic resonance associated with major potential surface features. Strongly mixed CI states at systematic avoided crossings of SCF levels at higher energies do have classical analogs in the reorganized classical motions seen at low energies; stabilized CI components correspond to a stable periodic 1:1 orbit, destabilized components to an unstable periodic 1:1 elliptical orbit. Canonical perturbation theory is used to study further the sense in which the exactly separable classical SCF Hamiltonian is ``close'' to the true Hamiltonian. Where true motion is modal or SCF-like, first-order perturbed trajectories and second-order perturbed energies describe it very accurately. However since the dynamics can be strongly disturbed even at very low energies, correlation effects are obviously not ``small'' in the sense usually meant in classical dynamics, i.e., that regular trajectories mostly remain regular in the nonseparable perturbed system.

  20. Quasi-Classical Trajectory Calculations of Isotopic Effect on Reactions H (D, T) + OCl%准经典轨线计算同位素对反应H+Ocl的影响

    Institute of Scientific and Technical Information of China (English)

    韩成利; 李亚民

    2014-01-01

    用准经典轨线的方法计算了反应H(D,T)+OCl,主要是研究同位素效应对反应截面、产物的转动取向和分支比的影响.准经典轨线的计算选择了PSB2势能面,在0.2~1.2eV碰撞能范围内计算了H(D,T)+OCl反应的反应截面和分支比等结果.同位素对反应截面和产物分支比的影响很明显,而对产物转动取向的影响不大.

  1. Nanotube Tunneling as a Consequence of Probable Discrete Trajectories

    Science.gov (United States)

    Robinson, Daryl C.

    2001-01-01

    It has been recently reported that the electrical charge in a semiconductive carbon nanotube is not evenly distributed, but is divided into charge "islands." A clear understanding of tunneling phenomena can be useful to elucidate the mechanism for electrical conduction in nanotubes. This paper represents the first attempt to shed light on the aforementioned phenomenon through viewing tunneling as a natural consequence of "discrete trajectories." The relevance of this analysis is that it may provide further insight into the higher rate of tunneling processes, which makes tunneling devices attractive. In a situation involving particles impinging on a classically impenetrable barrier, the result of quantum mechanics that the probability of detecting transmitted particles falls off exponentially is derived without wave theory. This paper should provide a basis for calculating the charge profile over the length of the tube so that nanoscale devices' conductive properties may be fully exploited.

  2. Mars Ascent Propulsion Trades with Trajectory Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Whitehead, J

    2004-04-22

    Optimized trajectories to a 500 km circular orbit are calculated for vehicles having a 100 kg Mars launch mass. Staging trades, thrust optimization, and the importance of vehicle shape for drag are all taken into consideration. The high acceleration of solid rockets requires a steep trajectory for drag avoidance, followed by a relatively large circularization burn, appropriate for a second stage. Liquid thrust reduces drag, resulting in less steep trajectories which have small circularization burns. Liquid propulsion requires less total {Delta}v, and offers options for multiple stages or just one. Graphs of payload mass versus stage propellant fractions are compared for liquid and solid propulsion.

  3. Lunar and interplanetary trajectories

    CERN Document Server

    Biesbroek, Robin

    2016-01-01

    This book provides readers with a clear description of the types of lunar and interplanetary trajectories, and how they influence satellite-system design. The description follows an engineering rather than a mathematical approach and includes many examples of lunar trajectories, based on real missions. It helps readers gain an understanding of the driving subsystems of interplanetary and lunar satellites. The tables and graphs showing features of trajectories make the book easy to understand. .

  4. The influence of aerodynamic coefficients on the elements of classic projectile paths

    Directory of Open Access Journals (Sweden)

    Damir D. Jerković

    2011-04-01

    Full Text Available The article deals with the results of the research on the influence of aerodynamic coefficient values on the trajectory elements and the stability parameters of classic axisymmetric projectiles. It presents the characteristic functions of aerodynamic coefficients with regard to aerodynamic parameters and the projectile body shape. The trajectory elements of the model of classic axisymmetric projectiles and the analyses of their changes were presented with respect to the aerodynamic coefficient values. Introduction Classic axisymmetric projectiles fly through atmosphere using muzzle velocity as initial energy resource, so the aerodynamic force and moment have the most significant influence on the motion of projectiles. The aerodynamic force and moment components represented as aerodynamic coefficients depend on motion velocity i. e. flow velocity, the flow features produced by projectile shape and position in the flow, and angular velocity (rate of the body. The functional dependence of aerodynamic coefficients on certain influential parameters, such as angle of attack and angular velocity components is expressed by the derivative of aerodynamic coefficients. The determination of aerodynamic coefficients and derivatives enables complete definition of the aerodynamic force and moment acting on the classic projectile. The projectile motion problem is considered in relation to defining the projectile stability parameters and the conditions under which the stability occurs. The comparative analyses of aerodynamic coefficient values obtained by numerical methods, semi empirical calculations and experimental research give preliminary evaluation of the quality of the determined values. The flight simulation of the motion of a classic axisymetric projectile, which has the shape defined by the aerodynamic coefficient values, enables the comparative analyses of the trajectory elements and stability characteristics. The model of the classic projectile

  5. Trajectory P system

    Institute of Scientific and Technical Information of China (English)

    Subbaiah Annadurai; Thiyagarajan Kalyani; Vincent Rajkumar Dare; Durairaj Gnanaraj Thomas

    2008-01-01

    Membrane computing is a branch of natural computing aiming to abstract computing ideas for the structure and the functioning of living cells as well as from the way the cells are organized in tissues or higher-order structures.Trajectories are used as a tool for modeling language operations and other related objects.A trajectory P system consists of a membrane structure in which the object in each membrane is a collection of words and the evolutionary rules are given in terms of trajectories.In this paper,we present some properties of trajectory P systems.

  6. Ensemble simulations with discrete classical dynamics

    DEFF Research Database (Denmark)

    Toxværd, Søren

    2013-01-01

    For discrete classical Molecular dynamics (MD) obtained by the "Verlet" algorithm (VA) with the time increment $h$ there exist a shadow Hamiltonian $\\tilde{H}$ with energy $\\tilde{E}(h)$, for which the discrete particle positions lie on the analytic trajectories for $\\tilde{H}$. $\\tilde...

  7. A Low-Sampling-Rate Trajectory Matching Algorithm in Combination of History Trajectory and Reinforcement Learning

    Directory of Open Access Journals (Sweden)

    SUN Wenbin

    2016-11-01

    Full Text Available In order to improve the accuracy of low frequency (sampling interval greater than 1 minute trajectory data matching algorithm, this paper proposed a novel matching algorithm termed HMDP-Q (History Markov Decision Processes Q-learning. The new algorithm is based on reinforced learning on historic trajectory. First, we extract historic trajectory data according to incremental matching algorithm as historical reference, and filter the trajectory dataset through the historic reference, the shortest trajectory and the reachability. Then we model the map matching process as the Markov decision process, and build up reward function using deflected distance between trajectory points and historic trajectories. The largest reward value of the Markov decision process was calculated by using the reinforced learning algorithm, which is the optimal matching result of trajectory and road. Finally we calibrate the algorithm by utilizing city's floating cars data to experiment. The results show that this algorithm can improve the accuracy between trajectory data and road. The matching accuracy is 89.2% within 1 minute low-frequency sampling interval, and the matching accuracy is 61.4% when the sampling frequency is 16 minutes. Compared with IVVM (Interactive Voting-based Map Matching, HMDP-Q has a higher matching accuracy and computing efficiency. Especially, when the sampling frequency is 16 minutes, HMDP-Q improves the matching accuracy by 26%.

  8. 圓形複合圖形面積解題學習軌道之教學實驗研究 Teaching Students How to Calculate the Area of Complex Figures With Circles by Using Learning Trajectories

    Directory of Open Access Journals (Sweden)

    陳嘉皇 Chia-Huang Chen

    2016-03-01

    Full Text Available 本研究利用學習軌道設計圓形複合圖形面積課程進行教學實驗,檢視學生學習情形及解題表現,瞭解學生在各教學環節產生的迷思概念及困難,教師透過教學省思檢討自身教學及思索如何進行有效教學,幫助學生建立完整及系統性的圓形概念,順利解題。研究樣本為臺灣中部地區某公立小學一班六年級學生及其導師。課程內容以現行九年一貫課程綱要─六年級數學科的圓形複合圖形面積概念為主,參考數學任務及教學指引自行設計。蒐集和分析的資料包含:一、師生課室互動;二、學生數學學習單之表現;三、課後訪談紀錄。以學生作答內容統計答題正確率驗證教學效果,並以質性方式分析學生錯誤及迷思概念。研究發現:一、依據學習軌道設計圓形複合圖形面積任務,包含「認識圓形的基本組成要素」、「理解圓面積公式的由來」、「運用分割和移補的技巧來計算面積」、「理解分配律,學習用符號標記面積」和「『填補』和『其他策略』」;二、學業成就表現高、低分組的學生於「圓形複合圖形面積任務」的表現有所差異,其反應促使教師省思與修正調整學習軌道中任務的設計安排;三、經由教學實驗回溯省思後,教師對於學生概念的理解、教學方法及課程設計等方面的信念產生改變。 A mathematics course teaching students how to calculate the area of complex figures with circles was designed using learning trajectories. We conducted a teaching experiment to examine the learning conditions and problem-solving performance of students and understand their misconceptions and difficulties in different areas of learning. Teacher journals review teaching techniques and effective teaching methods to assist students in forming complete and systematic concepts of circles and in solving problems

  9. PANTHER. Trajectory Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Rintoul, Mark Daniel [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Wilson, Andrew T. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Valicka, Christopher G. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Kegelmeyer, W. Philip [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Shead, Timothy M. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Newton, Benjamin D. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Czuchlewski, Kristina Rodriguez [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

    2015-09-01

    We want to organize a body of trajectories in order to identify, search for, classify and predict behavior among objects such as aircraft and ships. Existing compari- son functions such as the Fr'echet distance are computationally expensive and yield counterintuitive results in some cases. We propose an approach using feature vectors whose components represent succinctly the salient information in trajectories. These features incorporate basic information such as total distance traveled and distance be- tween start/stop points as well as geometric features related to the properties of the convex hull, trajectory curvature and general distance geometry. Additionally, these features can generally be mapped easily to behaviors of interest to humans that are searching large databases. Most of these geometric features are invariant under rigid transformation. We demonstrate the use of different subsets of these features to iden- tify trajectories similar to an exemplar, cluster a database of several hundred thousand trajectories, predict destination and apply unsupervised machine learning algorithms.

  10. Classical and semiclassical aspects of chemical dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Gray, S.K.

    1982-08-01

    Tunneling in the unimolecular reactions H/sub 2/C/sub 2/ ..-->.. HC/sub 2/H, HNC ..-->.. HCN, and H/sub 2/CO ..-->.. H/sub 2/ + CO is studied with a classical Hamiltonian that allows the reaction coordinate and transverse vibrational modes to be considered directly. A combination of classical perturbation theory and the semiclassical WKB method allows tunneling probabilities to be obtained, and a statistical theory (RRKM) is used to construct rate constants for these reactions in the tunneling regime. In this fashion, it is found that tunneling may be important, particularly for low excitation energies. Nonadiabatic charge transfer in the reaction Na + I ..-->.. Na /sup +/ + I/sup -/ is treated with classical trajectories based on a classical Hamiltonian that is the analogue of a quantum matrix representation. The charge transfer cross section obtained is found to agree reasonably well with the exact quantum results. An approximate semiclassical formula, valid at high energies, is also obtained. The interaction of radiation and matter is treated from a classical viewpoint. The excitation of an HF molecule in a strong laser is described with classical trajectories. Quantum mechanical results are also obtained and compared to the classical results. Although the detailed structure of the pulse time averaged energy absorption cannot be reproduced classically, classical mechanics does predict the correct magnitude of energy absorption, as well as certain other qualitative features. The classical behavior of a nonrotating diatomic molecule in a strong laser field is considered further, by generating a period advance map that allows the solution over many periods of oscillation of the laser to be obtained with relative ease. Classical states are found to form beautiful spirals in phase space as time progresses. A simple pendulum model is found to describe the major qualitative features. (WHM)

  11. The Envelope of Projectile Trajectories in Midair

    CERN Document Server

    Chudinov, P

    2005-01-01

    A 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. Analytic approach is used for investigation. Simple analytical formulas are used for the constructing the envelope of the family of the point mass trajectories. The equation of envelope is applied for determination of maximum range of flight. The motion of a baseball is presented as an example.

  12. 14 CFR 417.207 - Trajectory analysis.

    Science.gov (United States)

    2010-01-01

    ... potential three-sigma trajectory dispersions about the nominal trajectory. (2) A fuel exhaustion trajectory...) Trajectory model. A final trajectory analysis must use a six-degree of freedom trajectory model to...

  13. Classical treatment of the electron emission from collisions of uracil molecules with fast protons

    Science.gov (United States)

    Sarkadi, L.

    2015-12-01

    The electron emission from the uracil molecule induced by fast proton impact has been investigated using the classical-trajectory Monte Carlo (CTMC) method. Applying the independent-particle model, the full three-body dynamics of the projectile, an active electron, and the molecule core is considered. The interactions with the molecule core are described by a multicenter potential built from screened atomic potentials. Double and single differential, as well as total ionization cross sections are calculated and compared with the predictions of the first Born approximation with correct boundary conditions (CB1), the continuum-distorted-wave-eikonal-initial-state (CDW-EIS) approach, as well as the combined classical-trajectory Monte Carlo-classical over-the-barrier (CTMC-COB) model. The effect of the molecular treatment of the ionization by the multicenter potential is analyzed by simplified CTMC calculations in which the ionization cross section of the uracil is determined as a linear combination of the contributions of the constituent atoms of the molecule.

  14. Classical theory of radiating strings

    Science.gov (United States)

    Copeland, Edmund J.; Haws, D.; Hindmarsh, M.

    1990-01-01

    The divergent part of the self force of a radiating string coupled to gravity, an antisymmetric tensor and a dilaton in four dimensions are calculated to first order in classical perturbation theory. While this divergence can be absorbed into a renormalization of the string tension, demanding that both it and the divergence in the energy momentum tensor vanish forces the string to have the couplings of compactified N = 1 D = 10 supergravity. In effect, supersymmetry cures the classical infinities.

  15. Teaching Classical Mechanics using Smartphones

    CERN Document Server

    Chevrier, Joel; Ledenmat, Simon; Bsiesy, Ahmad

    2012-01-01

    Using a personal computer and a smartphone, iMecaProf is a software that provides a complete teaching environment for practicals associated to a Classical Mechanics course. iMecaProf proposes a visual, real time and interactive representation of data transmitted by a smartphone using the formalism of Classical Mechanics. Using smartphones is more than using a set of sensors. iMecaProf shows students that important concepts of physics they here learn, are necessary to control daily life smartphone operations. This is practical introduction to mechanical microsensors that are nowadays a key technology in advanced trajectory control. First version of iMecaProf can be freely downloaded. It will be tested this academic year in Universit\\'e Joseph Fourier (Grenoble, France)

  16. Quantum Transitions Between Classical Histories: Bouncing Cosmologies

    CERN Document Server

    Hartle, James

    2015-01-01

    In a quantum theory of gravity spacetime behaves classically when quantum probabilities are high for histories of geometry and field that are correlated in time by the Einstein equation. Probabilities follow from the quantum state. This quantum perspective on classicality has important implications: (a) Classical histories are generally available only in limited patches of the configuration space on which the state lives. (b) In a given patch states generally predict relative probabilities for an ensemble of possible classical histories. (c) In between patches classical predictability breaks down and is replaced by quantum evolution connecting classical histories in different patches. (d) Classical predictability can break down on scales well below the Planck scale, and with no breakdown in the classical equations of motion. We support and illustrate (a)-(d) by calculating the quantum transition across the de Sitter like throat connecting asymptotically classical, inflating histories in the no-boundary quantu...

  17. Trajectory attractors of equations of mathematical physics

    Energy Technology Data Exchange (ETDEWEB)

    Vishik, Marko I; Chepyzhov, Vladimir V [Institute for Information Transmission Problems, Russian Academy of Sciences, Moscow (Russian Federation)

    2011-08-31

    In this survey the method of trajectory dynamical systems and trajectory attractors is described, and is applied in the study of the limiting asymptotic behaviour of solutions of non-linear evolution equations. This method is especially useful in the study of dissipative equations of mathematical physics for which the corresponding Cauchy initial-value problem has a global (weak) solution with respect to the time but the uniqueness of this solution either has not been established or does not hold. An important example of such an equation is the 3D Navier-Stokes system in a bounded domain. In such a situation one cannot use directly the classical scheme of construction of a dynamical system in the phase space of initial conditions of the Cauchy problem of a given equation and find a global attractor of this dynamical system. Nevertheless, for such equations it is possible to construct a trajectory dynamical system and investigate a trajectory attractor of the corresponding translation semigroup. This universal method is applied for various types of equations arising in mathematical physics: for general dissipative reaction-diffusion systems, for the 3D Navier-Stokes system, for dissipative wave equations, for non-linear elliptic equations in cylindrical domains, and for other equations and systems. Special attention is given to using the method of trajectory attractors in approximation and perturbation problems arising in complicated models of mathematical physics. Bibliography: 96 titles.

  18. Bohmian trajectories of Airy packets

    Energy Technology Data Exchange (ETDEWEB)

    Nassar, Antonio B., E-mail: anassar@hw.com [Science Department, Harvard-Westlake School, 3700 Coldwater Canyon, Studio City, 91604 (United States); Department of Sciences, University of California, Los Angeles, Extension Program, 10995 Le Conte Avenue, Los Angeles, CA 90024 (United States); Miret-Artés, Salvador [Instituto de Física Fundamental, Consejo Superior de Investigaciones Científicas, Serrano 123, 28006 Madrid (Spain)

    2014-09-15

    The discovery of Berry and Balazs in 1979 that the free-particle Schrödinger equation allows a non-dispersive and accelerating Airy-packet solution has taken the folklore of quantum mechanics by surprise. Over the years, this intriguing class of wave packets has sparked enormous theoretical and experimental activities in related areas of optics and atom physics. Within the Bohmian mechanics framework, we present new features of Airy wave packet solutions to Schrödinger equation with time-dependent quadratic potentials. In particular, we provide some insights to the problem by calculating the corresponding Bohmian trajectories. It is shown that by using general space–time transformations, these trajectories can display a unique variety of cases depending upon the initial position of the individual particle in the Airy wave packet. Further, we report here a myriad of nontrivial Bohmian trajectories associated to the Airy wave packet. These new features are worth introducing to the subject’s theoretical folklore in light of the fact that the evolution of a quantum mechanical Airy wave packet governed by the Schrödinger equation is analogous to the propagation of a finite energy Airy beam satisfying the paraxial equation. Numerous experimental configurations of optics and atom physics have shown that the dynamics of Airy beams depends significantly on initial parameters and configurations of the experimental set-up.

  19. Semi-classical Electrodynamics

    Science.gov (United States)

    Lestone, John

    2016-03-01

    Quantum electrodynamics is complex and its associated mathematics can appear overwhelming for those not trained in this field. We describe semi-classical approaches that can be used to obtain a more intuitive physical feel for several QED processes including electro-statics, Compton scattering, pair annihilation, the anomalous magnetic moment, and the Lamb shift, that could be taught easily to undergraduate students. Any physicist who brings their laptop to the talk will be able to build spread sheets in less than 10 minutes to calculate g/2 =1.001160 and a Lamb shift of 1057 MHz.

  20. Comparison of quantum and classical relaxation in spin dynamics.

    Science.gov (United States)

    Wieser, R

    2013-04-01

    The classical Landau-Lifshitz equation with a damping term has been derived from the time evolution of a quantum mechanical wave function under the assumption of a non-Hermitian Hamilton operator. Further, the trajectory of a classical spin (S) has been compared with the expectation value of the spin operator (Ŝ). A good agreement between classical and quantum mechanical trajectories can be found for Hamiltonians linear in Ŝ or S, respectively. Quadratic or higher order terms in the Hamiltonian result in a disagreement.

  1. Ornithopter transition trajectories

    Science.gov (United States)

    Dietl, John M.; Garcia, Ephrahim

    2010-04-01

    The design of stable trim conditions for forward flight and for hover has been achieved. In forward flight, an ornithopter is configured like a conventional airplane or large bird. Its fuselage is essentially horizontal and the wings heave in a vertical plane. In hover, however, the body pitches vertically so that the wing stroke in the horizontal plane. Thrust directed downward, the vehicle remains aloft while the downdraft envelops the tail to provide enough flow for vehicle control and stabilization. To connect these trajectories dynamically is the goal. The naïve approach-to choose two stable trajectories and switch between them-has been accomplished. A new approach is to establish an open-loop trajectory through a trajectory optimization algorithm-optimized for shortest altitude drop, shortest stopping distance, or lowest energy consumption.

  2. Reaction of protonated tyrosine with electronically excited singlet molecular oxygen (a1Delta(g)): an experimental and trajectory study.

    Science.gov (United States)

    Fang, Yigang; Liu, Jianbo

    2009-10-22

    Reaction of protonated tyrosine with the lowest electronically excited singlet state of molecular oxygen, (1)O(2) (a(1)Delta(g)), is reported over the center-of-mass collision energy (E(col)) range from 0.1 to 3.0 eV, using an electrospray-ionization, guided-ion-beam scattering instrument, in conjunction with ab initio electronic structure calculations and direct dynamics trajectory simulations. Only one product channel is observed, corresponding to generation of hydrogen peroxide via transfer of two hydrogen atoms from protonated tyrosine. Despite being exoergic, the reaction is in competition with physical quenching of (1)O(2) and is very inefficient. At low E(col), the reaction may be mediated by intermediate complexes and shows strong inhibition by collision energy. At high E(col), the reaction efficiency drops to approximately 1% and starts to have contribution from a direct mechanism. Quasi-classical trajectory simulations were performed to probe the mechanism at high collision energies. Analysis of trajectories shows that, at E(col) of 3.0 eV, a small fraction of hydrogen peroxide (25%) is produced via a direct, concerted mechanism where two hydrogen atoms are transferred simultaneously, but most hydrogen peroxide (75%) is formed by dissociation of hydroperoxide intermediates. According to ab initio calculations and trajectory simulations, collisions also lead to formation of various endoperoxides, and dissociation of endoperoxides may play a role in physical quenching of (1)O(2). The apparatus and experimental techniques are described in detail.

  3. Classical and Quantum Mechanical Motion in Magnetic Fields

    CERN Document Server

    Franklin, J

    2016-01-01

    We study the motion of a particle in a particular magnetic field configuration both classically and quantum mechanically. For flux-free radially symmetric magnetic fields defined on circular regions, we establish that particle escape speeds depend, classically, on a gauge-fixed magnetic vector potential, and demonstrate some trajectories associated with this special type of magnetic field. Then we show that some of the geometric features of the classical trajectory (perpendicular exit from the field region, trapped and escape behavior) are reproduced quantum mechanically using a numerical method that extends the norm-preserving Crank-Nicolson method to problems involving magnetic fields. While there are similarities between the classical trajectory and the position expectation value of the quantum mechanical solution, there are also differences, and we demonstrate some of these.

  4. Automated Cooperative Trajectories

    Science.gov (United States)

    Hanson, Curt; Pahle, Joseph; Brown, Nelson

    2015-01-01

    This presentation is an overview of the Automated Cooperative Trajectories project. An introduction to the phenomena of wake vortices is given, along with a summary of past research into the possibility of extracting energy from the wake by flying close parallel trajectories. Challenges and barriers to adoption of civilian automatic wake surfing technology are identified. A hardware-in-the-loop simulation is described that will support future research. Finally, a roadmap for future research and technology transition is proposed.

  5. Compressing spatio-temporal trajectories

    DEFF Research Database (Denmark)

    Gudmundsson, Joachim; Katajainen, Jyrki; Merrick, Damian

    2009-01-01

    A trajectory is a sequence of locations, each associated with a timestamp, describing the movement of a point. Trajectory data is becoming increasingly available and the size of recorded trajectories is getting larger. In this paper we study the problem of compressing planar trajectories such tha...

  6. Graphical Method for Determining Projectile Trajectory

    Science.gov (United States)

    Moore, J. C.; Baker, J. C.; Franzel, L.; McMahon, D.; Songer, D.

    2010-01-01

    We present a nontrigonometric graphical method for predicting the trajectory of a projectile when the angle and initial velocity are known. Students enrolled in a general education conceptual physics course typically have weak backgrounds in trigonometry, making inaccessible the standard analytical calculation of projectile range. Furthermore,…

  7. Direct NOE simulation from long MD trajectories

    Science.gov (United States)

    Chalmers, G.; Glushka, J. N.; Foley, B. L.; Woods, R. J.; Prestegard, J. H.

    2016-04-01

    A software package, MD2NOE, is presented which calculates Nuclear Overhauser Effect (NOE) build-up curves directly from molecular dynamics (MD) trajectories. It differs from traditional approaches in that it calculates correlation functions directly from the trajectory instead of extracting inverse sixth power distance terms as an intermediate step in calculating NOEs. This is particularly important for molecules that sample conformational states on a timescale similar to molecular reorientation. The package is tested on sucrose and results are shown to differ in small but significant ways from those calculated using an inverse sixth power assumption. Results are also compared to experiment and found to be in reasonable agreement despite an expected underestimation of water viscosity by the water model selected.

  8. Trajectories of point particles in cosmology and the Zel'dovich approximation

    CERN Document Server

    Bartelmann, Matthias

    2014-01-01

    Using a Green's function approach, we compare the trajectories of classical Hamiltonian point particles in an expanding space-time to the effectively inertial trajectories in the Zel'dovich approximation. It is shown that the effective gravitational potential accelerating the particles relative to the Zel'dovich trajectories vanishes exactly initially as a consequence of the continuity equation, and acts only during a short, early period. The Green's function approach suggests an iterative scheme for improving the Zel'dovich trajectories, which can be analytically solved. We construct these trajectories explicitly and show how they interpolate between the Zel'dovich and the exact trajectories. The effective gravitational potential acting on the improved trajectories is substantially smaller at late times than the potential acting on the exact trajectories. The results may be useful for Lagrangian perturbation theory and for numerical simulations.

  9. Moon Landing Trajectory Optimization

    Directory of Open Access Journals (Sweden)

    Ibrahim Mustafa MEHEDI

    2016-03-01

    Full Text Available Trajectory optimization is a crucial process during the planning phase of a spacecraft landing mission. Once a trajectory is determined, guidance algorithms are created to guide the vehicle along the given trajectory. Because fuel mass is a major driver of the total vehicle mass, and thus mission cost, the objective of most guidance algorithms is to minimize the required fuel consumption. Most of the existing algorithms are termed as “near-optimal” regarding fuel expenditure. The question arises as to how close to optimal are these guidance algorithms. To answer this question, numerical trajectory optimization techniques are often required. With the emergence of improved processing power and the application of new methods, more direct approaches may be employed to achieve high accuracy without the associated difficulties in computation or pre-existing knowledge of the solution. An example of such an approach is DIDO optimization. This technique is applied in the current research to find these minimum fuel optimal trajectories.

  10. A calculator for the classic and non-classic ketogenic diet based on Chinese food composition therapy on refractory epilepsy%应用计算机软件提高经典及非经典生酮饮食治疗难治性癫(癎)的操作性

    Institute of Scientific and Technical Information of China (English)

    邓宇虹

    2014-01-01

    Objective To simplify the manipulation of ketogenic diet recipes through software design.Methods Based on a Chinese food composition database,the software included 3 separate modules for the calculation of recipes for the classic ketogenic diet,modified Atkins diet and low glycemic index diet.It was applied in 10 refractory epilepsy patients,including 8 children and 2 adults,aged from 1 to 34 years,who took an average of 2.7 kinds of medication.Eight patients had daily seizures ;the other 2 cases had seizures 4-15 times per month.Two patients used the classic 4 ∶ 1 ketogenic diet module;4 patients started with the classic 4 ∶ 1 ketogenic diet and then shifted to 1 ∶ 1 to 4 ∶1 modified Atkins diet module after 2 to 5 months;4 patients used the 1 ∶ 1 to 4 ∶ 1 modified Atkins diet module.The software could automatically display the daily recommended intake value of total energy,fat,carbohydrate and protein according to the input of age,height,weight,activity level and the proportion of fat/(carbohydrate and protein),then patients or dietitians were allowed to select a different modules for recipe design.Results Forty percents(4/10 cases) of the patients had seizure reduced to 50%-90%,20% (2/10 cases) of the patients had seizure reduced to 90% 99%,and 20% (2/10 cases) of the patients became seizure free.Half-year retention rate reached 70% (7/10 cases).Conclusions This specially designed software for Chinese epilepsy patients can help simplify the operation of the ketogenic diet and modified Atkins diet and improve retention rates.It can be used in classic and non-classical ketogenic diets.%目的 通过计算机辅助设计食谱简化生酮饮食的操作.方法 设计一款基于中国食物成分数据库的软件,使用3个模块分别计算经典生酮饮食、改良阿特金斯饮食、低血糖生成指数饮食,用于指导药物无效且无法手术的10例难治性癫痫患者添加经典及非经典生酮饮食.其中儿童患者8

  11. Quantum-classical path integral. I. Classical memory and weak quantum nonlocality.

    Science.gov (United States)

    Lambert, Roberto; Makri, Nancy

    2012-12-14

    We consider rigorous path integral descriptions of the dynamics of a quantum system coupled to a polyatomic environment, assuming that the latter is well approximated by classical trajectories. Earlier work has derived semiclassical or purely classical expressions for the influence functional from the environment, which should be sufficiently accurate for many situations, but the evaluation of quantum-(semi)classical path integral (QCPI) expressions has not been practical for large-scale simulation because the interaction with the environment introduces couplings nonlocal in time. In this work, we analyze the nature of the effects on a system from its environment in light of the observation [N. Makri, J. Chem. Phys. 109, 2994 (1998)] that true nonlocality in the path integral is a strictly quantum mechanical phenomenon. If the environment is classical, the path integral becomes local and can be evaluated in a stepwise fashion along classical trajectories of the free solvent. This simple "classical path" limit of QCPI captures fully the decoherence of the system via a classical mechanism. Small corrections to the classical path QCPI approximation may be obtained via an inexpensive random hop QCPI model, which accounts for some "back reaction" effects. Exploiting the finite length of nonlocality, we argue that further inclusion of quantum decoherence is possible via an iterative evaluation of the path integral. Finally, we show that the sum of the quantum amplitude factors with respect to the system paths leads to a smooth integrand as a function of trajectory initial conditions, allowing the use of Monte Carlo methods for the multidimensional phase space integral.

  12. Fast forward to the classical adiabatic invariant

    CERN Document Server

    Jarzynski, Christopher; Patra, Ayoti; Subaşı, Yiğit

    2016-01-01

    We show how the classical action, an adiabatic invariant, can be preserved under non-adiabatic conditions. Specifically, for a time-dependent Hamiltonian $H = p^2/2m + U(q,t)$ in one degree of freedom, and for an arbitrary choice of action $I_0$, we construct a "fast-forward" potential energy function $V_{\\rm FF}(q,t)$ that, when added to $H$, guides all trajectories with initial action $I_0$ to end with the same value of action. We use this result to construct a local dynamical invariant $J(q,p,t)$ whose value remains constant along these trajectories. We illustrate our results with numerical simulations. Finally, we sketch how our classical results may be used to design approximate quantum shortcuts to adiabaticity.

  13. Classical and Quantum Vibration in a Nonseparable, Nonharmonic System

    Science.gov (United States)

    McDonald, Karen Marie

    Studies of vibrational dynamics have been performed on a two-dimensional model potential surface V(x,z; R), adapted from the ab initio surface previously used in this laboratory to analyze dynamics of the bifluoride ion (FHF) ^-. The model potential has C _{2v} symmetry, but is strongly anharmonic and nonseparable in the dynamical variables (x,z); its character changes as the parameter R is varied. Quantum and classical descriptions of vibrational states in this system are compared with corresponding Self-Consistent Field (SCF) approximations. Insights provided by each approach are assessed. Systematic Fermi resonances appear in the quantum mechanical states (at energies up to approximately 10,000 cm^{-1}) arising from crossings of quantum SCF levels with two quanta of vibration exchanged between x and z modes. The lowest quantum states of each symmetry are well described by the SCF approximation except near such crossings. Calculations using Configuration Interaction were done to obtain accurate eigenstates and examine correlations in the quantum mechanics. The Classical Self-Consistent Field (CSCF) method provides a description of the mechanics similar to that given by its quantum counterpart. Classical bound state methods based on semiclassical quantization of quasiperiodic trajectories are unable to give a corresponding description. At energies as low as the quantum ground state, the true classical dynamics is strongly disturbed by resonant interactions. At higher energies the number and strength of these disruptions is so great that the motion is largely irregular. The most prominent effect is a 1:1 frequency resonance associated with strong reorganization of the classical motion along pronounced valleys of the potential surface lying at +/-26^circ to the x-axis. This phenomenon has been studied by analysis of the true dynamics and by application of classical canonical perturbation theory to the zero-order CSCF description. It is found that the latter gives a

  14. Trajectory dynamics study of the Ar + CH4 dissociation reaction at high temperatures: the importance of zero-point-energy effects.

    Science.gov (United States)

    Marques, J M C; Martínez-Núñez, E; Fernandez-Ramos, A; Vazquez, S A

    2005-06-23

    Large-scale classical trajectory calculations have been performed to study the reaction Ar + CH4--> CH3 +H + Ar in the temperature range 2500 energy surface used for ArCH4 is the sum of the nonbonding pairwise potentials of Hase and collaborators (J. Chem. Phys. 2001, 114, 535) that models the intermolecular interaction and the CH4 intramolecular potential of Duchovic et al. (J. Phys. Chem. 1984, 88, 1339), which has been modified to account for the H-H repulsion at small bending angles. The thermal rate coefficient has been calculated, and the zero-point energy (ZPE) of the CH3 product molecule has been taken into account in the analysis of the results; also, two approaches have been applied for discarding predissociative trajectories. In both cases, good agreement is observed between the experimental and trajectory results after imposing the ZPE of CH3. The energy-transfer parameters have also been obtained from trajectory calculations and compared with available values estimated from experiment using the master equation formalism; in general, the agreement is good.

  15. Trajectory Based Traffic Analysis

    DEFF Research Database (Denmark)

    Krogh, Benjamin Bjerre; Andersen, Ove; Lewis-Kelham, Edwin

    2013-01-01

    -and-click analysis, due to a novel and efficient indexing structure. With the web-site daisy.aau.dk/its/spqdemo/we will demonstrate several analyses, using a very large real-world data set consisting of 1.9 billion GPS records (1.5 million trajectories) recorded from more than 13000 vehicles, and touching most...

  16. Bounds for Minkowski Billiard Trajectories in Convex Bodies

    CERN Document Server

    Artstein-Avidan, Shiri

    2011-01-01

    In this paper we use the Ekeland-Hofer-Zehnder symplectic capacity to provide several bounds and inequalities for the length of the shortest periodic billiard trajectory in a smooth convex body in ${\\mathbb R}^{n}$. Our results hold both for classical billiards, as well as for the more general case of Minkowski billiards.

  17. Remarks on the completeness of trajectories of accelerated particles in Riemannian manifolds and plane waves

    CERN Document Server

    Candela, Anna Maria; Sánchez, Miguel

    2013-01-01

    Recently, classical results on completeness of trajectories of Hamiltonian systems obtained at the beginning of the seventies, have been revisited, improved and applied to Lorentzian Geometry. Our aim here is threefold: to give explicit proofs of some technicalities in the background of the specialists, to show that the introduced tools allow to obtain more results for the completeness of the trajectories, and to apply these results to the completeness of spacetimes that generalize classical plane and pp-waves.

  18. What classicality? Decoherence and Bohr's classical concepts

    CERN Document Server

    Schlosshauer, Maximilian

    2010-01-01

    Niels Bohr famously insisted on the indispensability of what he termed "classical concepts." In the context of the decoherence program, on the other hand, it has become fashionable to talk about the "dynamical emergence of classicality" from the quantum formalism alone. Does this mean that decoherence challenges Bohr's dictum and signifies a break with the Copenhagen interpretation-for example, that classical concepts do not need to be assumed but can be derived? In this paper we'll try to shine some light down the murky waters where formalism and philosophy cohabitate. To begin, we'll clarify the notion of classicality in the decoherence description. We'll then discuss Bohr's and Heisenberg's take on the quantum-classical problem and reflect on different meanings of the terms "classicality" and "classical concepts" in the writings of Bohr and his followers. This analysis will allow us to put forward some tentative suggestions for how we may better understand the relation between decoherence-induced classical...

  19. Sensitivity in the trajectory of long-range -particle

    Indian Academy of Sciences (India)

    P V Kunhikrishnan; A Rajan Nambiar; K P Santhosh

    2012-09-01

    The factors influencing the trajectory of long-range -particle in the cold ternary fission of 252Cf are discussed. The trajectory of the -particle is studied by considering the influence of the force on the -particle due to Coulomb and proximity potentials and is found to have sensitive dependence on the initial position and initial energy of the -particle. The sensitivity to initial conditions signifies the presence of deterministic chaos which is characterized by Lyapunov exponent (LE). The LE is calculated using Wolf’s algorithm and found positive which implies that the objectives of trajectory calculations are restricted.

  20. Clustering vessel trajectories with alignment kernels under trajectory compression

    NARCIS (Netherlands)

    de Vries, G.; van Someren, M.

    2010-01-01

    In this paper we apply a selection of alignment measures, such as dynamic time warping and edit distance, to the problem of clustering vessel trajectories. Vessel trajectories are an example of moving object trajectories, which have recently become an important research topic. The alignment measures

  1. Multiple-Sensor Discrimination of Closely-Spaced Objects on a Ballistic Trajectory

    Science.gov (United States)

    2015-05-18

    aim_point; Determine Interceptor Trajectory This segment of code calculates the trajectory necessary for the interceptor to converge on the target ...identifying and tracking an object of interest within closely-spaced objects traveling on a ballistic trajectory. The algorithms utilize a target object map...ballistic objects, dissimilar sensor correlation, target object map, Dempster-Shafer discrimination algorithms, simulation environment for various

  2. Gaussian Weighted Trajectory Method IV: No Rainbow Effect in Practice

    Institute of Scientific and Technical Information of China (English)

    L. Bonnet

    2009-01-01

    The Gaussian weighted trajectory method (GWTM) is a practical implementation of classical S matrix theory (CSMT) in the random phase approximation, CSMT being the first and simplest semi-classical approach of molecular collisions, developped in the early seventies.Though very close in spirit to the purely classical description, GWTM accounts to some extent for the quantization of the different degrees-of-freedom involved in the processes.While CSMT may give diverging final state distributions, in relation to the rainbow effect of elastic scattering theory, GWTM has never led to such a mathematical catastrophe. The goal of the present note is to explain this finding.

  3. Low-thrust rocket trajectories

    Energy Technology Data Exchange (ETDEWEB)

    Keaton, P.W.

    1986-01-01

    The development of low-thrust propulsion systems to complement chemical propulsion systems will greatly enhance the evolution of future space programs. Two advantages of low-thrust rockets are stressed: first, in a strong gravitational field, such as occurs near the Earth, freighter missions with low-thrust engines require one-tenth as much propellant as do chemical engines. Second, in a weak gravitational field, such as occurs in the region between Venus and Mars, low-thrust rockets are faster than chemical rockets with comparable propellant mass. The purpose here is to address the physics of low-thrust trajectories and to interpret the results with two simple models. Analytic analyses are used where possible - otherwise, the results of numerical calculations are presented in graphs. The author has attempted to make this a self-contained report. 57 refs., 10 figs.

  4. Low-thrust rocket trajectories

    Energy Technology Data Exchange (ETDEWEB)

    Keaton, P.W.

    1987-03-01

    The development of low-thrust propulsion systems to complement chemical propulsion systems will greatly enhance the evolution of future space programs. Two advantages of low-thrust rockets are stressed: first, in a strong gravitational field, such as occurs near the Earth, freighter missions with low-thrust engines require one-tenth as much propellant as do chemical engines. Second, in a weak gravitational field, such as occurs in the region between Venus and Mars, low-thrust rockets are faster than chemical rockets with comparable propellant mass. The purpose here is to address the physics of low-thrust trajectories and to interpret the results with two simple models. Analytic analyses are used where possible - otherwise, the results of numerical calculations are presented in graphs. The author has attempted to make this a self-contained report.

  5. Bohmian mechanics, collapse models and the emergence of classicality

    Science.gov (United States)

    Toroš, Marko; Donadi, Sandro; Bassi, Angelo

    2016-09-01

    We discuss the emergence of classical trajectories in Bohmian mechanics, when a macroscopic object interacts with an external environment. We show that in such a case the conditional wave function of the system follows a dynamics which, under reasonable assumptions, corresponds to that of the Ghirardi-Rimini-Weber (GRW) collapse model. As a consequence, Bohmian trajectories evolve classically. Our analysis also shows how the GRW (istantaneous) collapse process can be derived by an underlying continuous interaction of a quantum system with an external agent, thus throwing a light on how collapses can emerge from a deeper level theory.

  6. Analysis of Controlled Trajectory Optimization for Canard Trajectory Correction Fuze

    Institute of Scientific and Technical Information of China (English)

    郭泽荣; 李世义; 申强

    2004-01-01

    The optimization method of the canard trajectory correction fuze's controlled trajectory phase is researched by using the aerodynamics of aerocraft and the optimal control theory, the trajectory parameters of the controlled trajectory phase based on the least energy cost are determined. On the basis of determining the control starting point and the target point, the optimal trajectory and the variation rule of the normal overload with the least energy cost are provided, when there is no time restriction in the simulation process. The results provide a theoretical basis for the structure design of the canard mechanism.

  7. A new supersymmetric classical Boussinesq equation

    Institute of Scientific and Technical Information of China (English)

    Zhang Meng-Xia; Liu Qing-Ping; Wang Juan; Wu Ke

    2008-01-01

    In this paper,we obtain a supersymmetric generalization for the classical Boussinesq equation.We show that the supersymmetric equation system passes the Painlevé test and we also calculate its one- and two-soliton solutions.

  8. Semantic enrichment of GPS trajectories

    NARCIS (Netherlands)

    Graaff, de Victor; Keulen, van Maurice; By, de Rolf

    2012-01-01

    Semantic annotation of GPS trajectories helps us to recognize the interests of the creator of the GPS trajectories. Automating this trajectory annotation circumvents the requirement of additional user input. To annotate the GPS traces automatically, two types of automated input are required: 1) a co

  9. Dissipative quantum trajectories in complex space: Damped harmonic oscillator

    Science.gov (United States)

    Chou, Chia-Chun

    2016-10-01

    Dissipative quantum trajectories in complex space are investigated in the framework of the logarithmic nonlinear Schrödinger equation. The logarithmic nonlinear Schrödinger equation provides a phenomenological description for dissipative quantum systems. Substituting the wave function expressed in terms of the complex action into the complex-extended logarithmic nonlinear Schrödinger equation, we derive the complex quantum Hamilton-Jacobi equation including the dissipative potential. It is shown that dissipative quantum trajectories satisfy a quantum Newtonian equation of motion in complex space with a friction force. Exact dissipative complex quantum trajectories are analyzed for the wave and solitonlike solutions to the logarithmic nonlinear Schrödinger equation for the damped harmonic oscillator. These trajectories converge to the equilibrium position as time evolves. It is indicated that dissipative complex quantum trajectories for the wave and solitonlike solutions are identical to dissipative complex classical trajectories for the damped harmonic oscillator. This study develops a theoretical framework for dissipative quantum trajectories in complex space.

  10. Quantum computing classical physics.

    Science.gov (United States)

    Meyer, David A

    2002-03-15

    In the past decade, quantum algorithms have been found which outperform the best classical solutions known for certain classical problems as well as the best classical methods known for simulation of certain quantum systems. This suggests that they may also speed up the simulation of some classical systems. I describe one class of discrete quantum algorithms which do so--quantum lattice-gas automata--and show how to implement them efficiently on standard quantum computers.

  11. Doing it with Mirrors Classical analogues for Black Hole radiation

    CERN Document Server

    Srinivasan, K

    1998-01-01

    We construct analogues for the quantum phenomena of black hole radiation in the context of {\\it classical field theory}. Hawking radiation from a (radially) collapsing star is mathematically equivalent to radiation from a mirror moving along a specific trajectory in Minkowski spacetime. We construct a classical analogue for this quantum phenomenon and use it to construct a classical analogue for black hole radiation. The radiation spectrum in quantum field theory has the power spectrum as its classical analogue. Monochromatic light is continually reflected off a moving mirror or the silvered surface of a collapsing star.The reflected light is fourier analysed by the observer and the power spectrum is constructed. For a mirror moving along the standard black hole trajectory,it is seen that the power spectrum has a ``thermal'' nature. Mirror-observer configurations like an inertial mirror observed in an accelerated observer's frame and an accelerated mirror observed in a Rindler frame are investigated and condi...

  12. Interference, Reduced Action, and Trajectories

    Science.gov (United States)

    Floyd, Edward R.

    2007-09-01

    Instead of investigating the interference between two stationary, rectilinear wave functions in a trajectory representation by examining the trajectories of the two rectilinear wave functions individually, we examine a dichromatic wave function that is synthesized from the two interfering wave functions. The physics of interference is contained in the reduced action for the dichromatic wave function. As this reduced action is a generator of the motion for the dichromatic wave function, it determines the dichromatic wave function’s trajectory. The quantum effective mass renders insight into the behavior of the trajectory. The trajectory in turn renders insight into quantum nonlocality.

  13. Entanglement in Classical Optics

    CERN Document Server

    Ghose, Partha

    2013-01-01

    The emerging field of entanglement or nonseparability in classical optics is reviewed, and its similarities with and differences from quantum entanglement clearly pointed out through a recapitulation of Hilbert spaces in general, the special restrictions on Hilbert spaces imposed in quantum mechanics and the role of Hilbert spaces in classical polarization optics. The production of Bell-like states in classical polarization optics is discussed, and new theorems are proved to discriminate between separable and nonseparable states in classical wave optics where no discreteness is involved. The influence of the Pancharatnam phase on a classical Bell-like state is deived. Finally, to what extent classical polarization optics can be used to simulate quantum information processing tasks is also discussed. This should be of great practical importance because coherence and entanglement are robust in classical optics but not in quantum systems.

  14. Going Ballistic: Bullet Trajectories

    Directory of Open Access Journals (Sweden)

    Amanda Wade

    2011-01-01

    Full Text Available This project seeks to answer at what angle does a gun marksman have to aim in order to hit the center of a target one meter off the ground and 1000 meters away? We begin by modeling the bullet's trajectory using Euler's method with the help of a Microsoft Excel spreadsheet solver, and then systematically search for the angle corresponding to the center of the target. It was found that a marksman shooting a target 1000 meters away and 1 meter off the ground has to aim the rifle 0.436° above horizontal to hit the center.

  15. Harmonic oscillator in Snyder space: The classical case and the quantum case

    Indian Academy of Sciences (India)

    Carlos Leiva

    2010-02-01

    The harmonic oscillator in Snyder space is investigated in its classical and quantum versions. The classical trajectory is obtained and the semiclassical quantization from the phase space trajectories is discussed. An effective cut-off to high frequencies is found. The quantum version is developed and an equivalent usual harmonic oscillator is obtained through an effective mass and an effective frequency introduced in the model. This modified parameters give us a modified energy spectrum also.

  16. Chaos And Quantum-classical Correspondence For Two- Coupled Spins

    CERN Document Server

    Emerson, J V

    2001-01-01

    Two approaches to quantum-classical correspondence are distinguished according to the classical dynamical theory with which quantum theory is compared. The first of these, Ehrenfest correspondence, defines a dynamical regime in which the quantum expectation values follow approximately a classical trajectory. The second of these, Liouville correspondence, applies when the quantum probability distributions remain well approximated by a density in the classical phase space. The former applies only for narrow states, whereas the latter may remain valid even for quantum states that have spread to the system size. A spin model is adopted for this correspondence study because the quantum state is discrete and finite- dimensional, and thus no artificial truncation of the Hilbert space is required. The quantum time-evolution is given by a discrete unitary mapping. The corresponding classical model is volume-preserving (non-dissipative) and the time-evolution is given by a symplectic map. In classically chaotic regimes...

  17. Trajectories in parallel optics.

    Science.gov (United States)

    Klapp, Iftach; Sochen, Nir; Mendlovic, David

    2011-10-01

    In our previous work we showed the ability to improve the optical system's matrix condition by optical design, thereby improving its robustness to noise. It was shown that by using singular value decomposition, a target point-spread function (PSF) matrix can be defined for an auxiliary optical system, which works parallel to the original system to achieve such an improvement. In this paper, after briefly introducing the all optics implementation of the auxiliary system, we show a method to decompose the target PSF matrix. This is done through a series of shifted responses of auxiliary optics (named trajectories), where a complicated hardware filter is replaced by postprocessing. This process manipulates the pixel confined PSF response of simple auxiliary optics, which in turn creates an auxiliary system with the required PSF matrix. This method is simulated on two space variant systems and reduces their system condition number from 18,598 to 197 and from 87,640 to 5.75, respectively. We perform a study of the latter result and show significant improvement in image restoration performance, in comparison to a system without auxiliary optics and to other previously suggested hybrid solutions. Image restoration results show that in a range of low signal-to-noise ratio values, the trajectories method gives a significant advantage over alternative approaches. A third space invariant study case is explored only briefly, and we present a significant improvement in the matrix condition number from 1.9160e+013 to 34,526.

  18. Differentially Private Trajectory Data Publication

    CERN Document Server

    Chen, Rui; Desai, Bipin C

    2011-01-01

    With the increasing prevalence of location-aware devices, trajectory data has been generated and collected in various application domains. Trajectory data carries rich information that is useful for many data analysis tasks. Yet, improper publishing and use of trajectory data could jeopardize individual privacy. However, it has been shown that existing privacy-preserving trajectory data publishing methods derived from partition-based privacy models, for example k-anonymity, are unable to provide sufficient privacy protection. In this paper, motivated by the data publishing scenario at the Societe de transport de Montreal (STM), the public transit agency in Montreal area, we study the problem of publishing trajectory data under the rigorous differential privacy model. We propose an efficient data-dependent yet differentially private sanitization algorithm, which is applicable to different types of trajectory data. The efficiency of our approach comes from adaptively narrowing down the output domain by building...

  19. The high energy limit of the trajectory representation of quantum mechanics

    CERN Document Server

    Floyd, E R

    2003-01-01

    The trajectory representation in the high energy limit (Bohr correspondence principle) manifests a residual indeterminacy. This indeterminacy is compared to the indeterminacy found in the classical limit (Planck's constant to 0) [Int. J. Mod. Phys. A 15, 1363 (2000)] for particles in the classically allowed region, the classically forbiden region, and near the WKB turning point. The differences between Bohr's and Planck's principles for the trajectory representation are compared with the differences between these correspondence principles for the wave representation. The trajectory representation in the high energy limit is shown to go to neither classical nor statistical mechanics. The residual indeterminacy is contrasted to Heisenberg uncertainty. The relationship between indeterminacy and 't Hooft's information loss and equivalence classes is investigated.

  20. Target selection and transfer trajectories design for exploring asteroid mission

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Technique of target selection and profiles of transfer trajectory for Chinese asteroid exploring mission are studied systemically.A complete set of approaches to selecting mission targets and designing the transfer trajectory is proposed.First,when selecting a target for mission,some factors regarded as the scientific motivations are discussed.Then,when analyzing the accessibility of targets,instead of the classical strategy,the multiple gravity-assist strategy is provided.The suitable and possible targets,taking into account scientific value and technically feasible,are obtained via selection and estimation.When designing the transfer trajectory for exploring asteroid mission,an approach to selecting gravity-assist celestial body is proposed.Finally,according to the mission constraints,the trajectory profile with 2-years △V-EGA for exploring asteroid is presented.Through analyzing the trajectory profile,unexpected result that the trajectory would pass by two main-belts asteroids is found.So,the original proposal is extended to the multiple flybys mission.It adds the scientific return for asteroid mission.

  1. I. The indicatrix of composite crystals. II. Calculation of the indicatrix of silicate minerals with the classical point-dipole model. III. The structure of two sodium-uranyl fluorides

    Energy Technology Data Exchange (ETDEWEB)

    Hauser, J.R.

    1977-04-01

    The results of three distinct studies are discussed. The first two chapters describe calculations of the geometric optical properties of crystals; the third chapter is concerned with the crystal structure analysis of two new double salts.

  2. Classical, Semi-classical and Quantum Noise

    CERN Document Server

    Poor, H; Scully, Marlan

    2012-01-01

    David Middleton was a towering figure of 20th Century engineering and science and one of the founders of statistical communication theory. During the second World War, the young David Middleton, working with Van Fleck, devised the notion of the matched filter, which is the most basic method used for detecting signals in noise. Over the intervening six decades, the contributions of Middleton have become classics. This collection of essays by leading scientists, engineers and colleagues of David are in his honor and reflect the wide  influence that he has had on many fields. Also included is the introduction by Middleton to his forthcoming book, which gives a wonderful view of the field of communication, its history and his own views on the field that he developed over the past 60 years. Focusing on classical noise modeling and applications, Classical, Semi-Classical and Quantum Noise includes coverage of statistical communication theory, non-stationary noise, molecular footprints, noise suppression, Quantum e...

  3. Interference, reduced action, and trajectories

    CERN Document Server

    Floyd, E R

    2006-01-01

    Instead of investigating the interference between two stationary, rectilinear wave functions in a trajectory representation by examining the two rectilinear wave functions individually, we examine a dichromatic wave function that is synthesized from the two interfering wave functions. The physics of interference is contained in the reduced action for the dichromatic wave function. As this reduced action is a generator of the motion for the dichromatic wave function, it determines the dichromatic wave function's trajectory. The quantum effective mass renders insight into the behavior of the trajectory. The trajectory in turn renders insight into quantum nonlocality.

  4. Periodic billiard trajectories in polygons: generating mechanisms

    Science.gov (United States)

    Vorobets, Ya B.; Gal'perin, G. A.; Stepin, Anatolii M.

    1992-06-01

    CONTENTSIntroduction §1. Billiard trajectories in a plane domain §2. Fagnano's problem. Mechanical interpretations of periodic trajectories in triangles §3. An extremal property of billiard trajectories. Birkhoff's theorem. The non-existence of a unified construction of periodic trajectories in obtuse triangles §4. 'Perpendicular' trajectories in obtuse triangles of special shape §5. 'Perpendicular' trajectories in rational polygons and polyhedra §6. Stable trajectories §7. Stable perpendicular trajectories §8. Isolated trajectories §9. Isolated trajectories in acute and obtuse triangles. The bifurcation diagram of isolated trajectories (a 'hang-glider' configuration) §10. The density of F-triangles in a neighbourhood of (0, 0) §11. Generalization of the construction of isolated trajectories in obtuse triangles §12. Stable and unstable billiard trajectories in plane Weyl chambers §13. A criterion for the stability of periodic trajectories in a regular hexagonConclusionReferences

  5. Shear viscosity of the $\\Phi^4$ theory from classical simulation

    CERN Document Server

    Homor, M M

    2015-01-01

    Shear viscosity of the classical $\\Phi^4$ theory is measured using classical microcanonical simulation. To calculate the Kubo formula, we measure the energy-momentum tensor correlation function, and apply the Green-Kubo relation. Being a classical theory, the results depend on the cutoff which should be chosen in the range of the temperature. Comparison with experimentally accessible systems is also performed.

  6. Classical Liouville action on the sphere with three hyperbolic singularities

    Energy Technology Data Exchange (ETDEWEB)

    Hadasz, Leszek E-mail: hadasz@th.if.uj.edu.pl; Jaskolski, Zbigniew E-mail: jask@ift.uniwroc.pl

    2004-08-30

    The classical solution to the Liouville equation in the case of three hyperbolic singularities of its energy-momentum tensor is derived and analyzed. The recently proposed classical Liouville action is explicitly calculated in this case. The result agrees with the classical limit of the three-point function in the DOZZ solution of the quantum Liouville theory.

  7. Classical Liouville action on the sphere with three hyperbolic singularities

    CERN Document Server

    Hadasz, L; Hadasz, Leszek; Jaskolski, Zbigniew

    2003-01-01

    The classical solution to the Liouville equation in the case of three hyperbolic singularities of its energy-momentum tensor is derived and analyzed. The recently proposed classical Liouville action is explicitly calculated in this case. The result agrees with the classical limit of the three point function in the DOZZ solution of the quantum Liouville theory.

  8. Au pair trajectories

    DEFF Research Database (Denmark)

    Dalgas, Karina Märcher

    2015-01-01

    and dreams for the future become intertwined with their financial possibilities, limitations and responsibilities. The following three articles employ the notion of relatedness to explore the transnational and local social networks, including family relations, of which the au pairs are part. Arguing...... that Filipina au pairs see their stay abroad as an avenue of personal development and social recognition, I examine how the au pairs re-position themselves within their families at home through migration, and how they navigate between the often conflicting expectations of participation in the sociality...... important remittances back home. Their time in Denmark is also often part of long-term migration trajectories involving future stays in Scandinavia and southern Europe. Based on ten months of fieldwork among current and former au pairs in Denmark and ten weeks of fieldwork among prospective au pairs and au...

  9. Urban water trajectories

    CERN Document Server

    Allen, Adriana; Hofmann, Pascale; Teh, Tse-Hui

    2017-01-01

    Water is an essential element in the future of cities. It shapes cities’ locations, form, ecology, prosperity and health. The changing nature of urbanisation, climate change, water scarcity, environmental values, globalisation and social justice mean that the models of provision of water services and infrastructure that have dominated for the past two centuries are increasingly infeasible. Conventional arrangements for understanding and managing water in cities are being subverted by a range of natural, technological, political, economic and social changes. The prognosis for water in cities remains unclear, and multiple visions and discourses are emerging to fill the space left by the certainty of nineteenth century urban water planning and engineering. This book documents a sample of those different trajectories, in terms of water transformations, option, services and politics. Water is a key element shaping urban form, economies and lifestyles, part of the ongoing transformation of cities. Cities are face...

  10. Calculation of the transport properties of carbon dioxide. II. Thermal conductivity and thermomagnetic effects

    Science.gov (United States)

    Bock, Steffen; Bich, Eckard; Vogel, Eckhard; Dickinson, Alan S.; Vesovic, Velisa

    2004-05-01

    The transport properties of pure carbon dioxide have been calculated from the intermolecular potential using the classical trajectory method. Results are reported in the dilute-gas limit for thermal conductivity and thermomagnetic coefficients for temperatures ranging from 200 K to 1000 K. Three recent carbon dioxide potential energy hypersurfaces have been investigated. Since thermal conductivity is influenced by vibrational degrees of freedom, not included in the rigid-rotor classical trajectory calculation, a correction for vibration has also been employed. The calculations indicate that the second-order thermal conductivity corrections due to the angular momentum polarization (Bukowski et al. (1999) are in good agreement with the available experimental data. They underestimate the best experimental data at room temperature by 1% and in the range up to 470 K by 1%-3%, depending on the data source. Outside this range the calculated values, we believe, may be more reliable than the currently available experimental data. Our results are consistent with measurements of the thermomagnetic effect at 300 K only when the vibrational degrees of freedom are considered fully. This excellent agreement for these properties indicates that particularly the potential surface of Bukowski et al. provides a realistic description of the anisotropy of the surface.

  11. Classical geometry from the quantum Liouville theory

    CERN Document Server

    Hadasz, L; Piatek, M; Hadasz, Leszek; Jaskolski, Zbigniew; Piatek, Marcin

    2005-01-01

    Zamolodchikov's recursion relations are used to analyze the existence and approximations to the classical conformal block in the case of four parabolic weights. Strong numerical evidence is found that the saddle point momenta arising in the classical limit of the DOZZ quantum Liouville theory are simply related to the geodesic length functions of the hyperbolic geometry on the 4-punctured Riemann sphere. Such relation provides new powerful methods for both numerical and analytical calculations of these functions. The consistency conditions for the factorization of the 4-point classical Liouville action in different channels are numerically verified. The factorization yields efficient numerical methods to calculate the 4-point classical action and, by the Polyakov conjecture, the accessory parameters of the Fuchsian uniformization of the 4-punctured sphere.

  12. Classical geometry from the quantum Liouville theory

    Energy Technology Data Exchange (ETDEWEB)

    Hadasz, Leszek [M. Smoluchowski Institute of Physics, Jagellonian University, Reymonta 4, 30-059 Cracow (Poland)]. E-mail: hadasz@th.if.uj.edu.pl; Jaskolski, Zbigniew [Institute of Theoretical Physics, University of WrocIaw, pl. M. Borna, 950-204 WrocIaw (Poland)]. E-mail: jask@ift.uni.wroc.pl; Piatek, Marcin [Institute of Theoretical Physics, University of WrocIaw, pl. M. Borna, 950-204 WrocIaw (Poland)]. E-mail: piatek@ift.uni.wroc.pl

    2005-09-26

    Zamolodchikov's recursion relations are used to analyze the existence and approximations to the classical conformal block in the case of four parabolic weights. Strong numerical evidence is found that the saddle point momenta arising in the classical limit of the DOZZ quantum Liouville theory are simply related to the geodesic length functions of the hyperbolic geometry on the 4-punctured Riemann sphere. Such relation provides new powerful methods for both numerical and analytical calculations of these functions. The consistency conditions for the factorization of the 4-point classical Liouville action in different channels are numerically verified. The factorization yields efficient numerical methods to calculate the 4-point classical action and, by the Polyakov conjecture, the accessory parameters of the Fuchsian uniformization of the 4-punctured sphere.

  13. Principles of maximally classical and maximally realistic quantum mechanics

    Indian Academy of Sciences (India)

    S M Roy

    2002-08-01

    Recently Auberson, Mahoux, Roy and Singh have proved a long standing conjecture of Roy and Singh: In 2-dimensional phase space, a maximally realistic quantum mechanics can have quantum probabilities of no more than + 1 complete commuting cets (CCS) of observables coexisting as marginals of one positive phase space density. Here I formulate a stationary principle which gives a nonperturbative definition of a maximally classical as well as maximally realistic phase space density. I show that the maximally classical trajectories are in fact exactly classical in the simple examples of coherent states and bound states of an oscillator and Gaussian free particle states. In contrast, it is known that the de Broglie–Bohm realistic theory gives highly nonclassical trajectories.

  14. Lectures on Classical Integrability

    CERN Document Server

    Torrielli, Alessandro

    2016-01-01

    We review some essential aspects of classically integrable systems. The detailed outline of the lectures consists of: 1. Introduction and motivation, with historical remarks; 2. Liouville theorem and action-angle variables, with examples (harmonic oscillator, Kepler problem); 3. Algebraic tools: Lax pairs, monodromy and transfer matrices, classical r-matrices and exchange relations, non-ultralocal Poisson brackets, with examples (non-linear Schroedinger model, principal chiral field); 4. Features of classical r-matrices: Belavin-Drinfeld theorems, analyticity properties, and lift of the classical structures to quantum groups; 5. Classical inverse scattering method to solve integrable differential equations: soliton solutions, spectral properties and the Gel'fand-Levitan-Marchenko equation, with examples (KdV equation, Sine-Gordon model). Prepared for the Durham Young Researchers Integrability School, organised by the GATIS network. This is part of a collection of lecture notes.

  15. String Models, Stability and Regge Trajectories for Hadron States

    CERN Document Server

    Sharov, G S

    2013-01-01

    Various string models of mesons and baryons include a string carrying 2 or 3 massive points (quarks or antiquarks). Rotational states (planar uniform rotations) of these systems generate quasilinear Regge trajectories and may be used for describing excited hadron states on these trajectories. For different string models of baryon we are to solve the problem of choice between them and the stability problem for their rotational states. An unexpected result is that for the Y string baryon model these rotations are unstable with respect to small disturbances on the classical level. This instability has specific feature, disturbances grow linearly, whereas for the linear string baryon model they grow exponentially and may increase predictions for baryon's width $\\Gamma$. The classical instability of rotational states and nonstandard Regge slope are the arguments in favor of the stable simplest model of string with massive ends both for baryons and mesons. Rotational states of this model with two types of spin-orbi...

  16. Quantum Trajectory Approach to Molecular Dynamics Simulation with Surface Hopping

    CERN Document Server

    Feng, Wei; Li, Xin-Qi; Fang, Weihai

    2012-01-01

    The powerful molecular dynamics (MD) simulation is basically based on a picture that the atoms experience classical-like trajectories under the exertion of classical force field determined by the quantum mechanically solved electronic state. In this work we propose a quantum trajectory approach to the MD simulation with surface hopping, from an insight that an effective "observation" is actually implied in theMDsimulation through tracking the forces experienced, just like checking the meter's result in the quantum measurement process. This treatment can build the nonadiabatic surface hopping on a dynamical foundation, instead of the usual artificial and conceptually inconsistent hopping algorithms. The effects and advantages of the proposed scheme are preliminarily illustrated by a two-surface model system.

  17. Segmenting Trajectories by Movement States

    NARCIS (Netherlands)

    Buchin, M.; Kruckenberg, H.; Kölzsch, A.; Timpf, S.; Laube, P.

    2013-01-01

    Dividing movement trajectories according to different movement states of animals has become a challenge in movement ecology, as well as in algorithm development. In this study, we revisit and extend a framework for trajectory segmentation based on spatio-temporal criteria for this purpose. We adapt

  18. Geometric Algorithms for Trajectory Analysis

    NARCIS (Netherlands)

    Staals, Frank

    2015-01-01

    Technology such as the Global Positing System (GPS) has made tracking moving entities easy and cheap. As a result there is a large amount of trajectory data available, and an increasing demand on tools and techniques to analyze such data. We consider several analysis tasks for trajectory data, and d

  19. Classical theory of electric and magnetic fields

    CERN Document Server

    Good, Roland H

    1971-01-01

    Classical Theory of Electric and Magnetic Fields is a textbook on the principles of electricity and magnetism. This book discusses mathematical techniques, calculations, with examples of physical reasoning, that are generally applied in theoretical physics. This text reviews the classical theory of electric and magnetic fields, Maxwell's Equations, Lorentz Force, and Faraday's Law of Induction. The book also focuses on electrostatics and the general methods for solving electrostatic problems concerning images, inversion, complex variable, or separation of variables. The text also explains ma

  20. Effective dynamics of a classical point charges

    CERN Document Server

    Polonyi, Janos

    2013-01-01

    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 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-pole of perturbative QED. Similarity between the dynamical breakdown of the time reversal invariance and dynamical symmetry breaking is pointed out.

  1. Fluctuations of wavefunctions about their classical average

    CERN Document Server

    Bénet, L; Hernandez-Saldana, H; Izrailev, F M; Leyvraz, F; Seligman, T H

    2003-01-01

    Quantum-classical correspondence for the average shape of eigenfunctions and the local spectral density of states are well-known facts. In this paper, the fluctuations of the quantum wavefunctions around the classical value are discussed. A simple random matrix model leads to a Gaussian distribution of the amplitudes whose width is determined by the classical shape of the eigenfunction. To compare this prediction with numerical calculations in chaotic models of coupled quartic oscillators, we develop a rescaling method for the components. The expectations are broadly confirmed, but deviations due to scars are observed. This effect is much reduced when both Hamiltonians have chaotic dynamics.

  2. Fluctuations of wavefunctions about their classical average

    Energy Technology Data Exchange (ETDEWEB)

    Benet, L [Centro Internacional de Ciencias, Ciudad Universitaria, Chamilpa, Cuernavaca (Mexico); Flores, J [Centro Internacional de Ciencias, Ciudad Universitaria, Chamilpa, Cuernavaca (Mexico); Hernandez-Saldana, H [Centro Internacional de Ciencias, Ciudad Universitaria, Chamilpa, Cuernavaca (Mexico); Izrailev, F M [Centro Internacional de Ciencias, Ciudad Universitaria, Chamilpa, Cuernavaca (Mexico); Leyvraz, F [Centro Internacional de Ciencias, Ciudad Universitaria, Chamilpa, Cuernavaca (Mexico); Seligman, T H [Centro Internacional de Ciencias, Ciudad Universitaria, Chamilpa, Cuernavaca (Mexico)

    2003-02-07

    Quantum-classical correspondence for the average shape of eigenfunctions and the local spectral density of states are well-known facts. In this paper, the fluctuations of the quantum wavefunctions around the classical value are discussed. A simple random matrix model leads to a Gaussian distribution of the amplitudes whose width is determined by the classical shape of the eigenfunction. To compare this prediction with numerical calculations in chaotic models of coupled quartic oscillators, we develop a rescaling method for the components. The expectations are broadly confirmed, but deviations due to scars are observed. This effect is much reduced when both Hamiltonians have chaotic dynamics.

  3. Classical realizability in the CPS target language

    DEFF Research Database (Denmark)

    Frey, Jonas

    2016-01-01

    Motivated by considerations about Krivine's classical realizability, we introduce a term calculus for an intuitionistic logic with record types, which we call the CPS target language. We give a reformulation of the constructions of classical realizability in this language, using the categorical...... techniques of realizability triposes and toposes. We argue that the presentation of classical realizability in the CPS target language simplifies calculations in realizability toposes, in particular it admits a nice presentation of conjunction as intersection type which is inspired by Girard's ludics....

  4. Bohmian Trajectories as the Foundation of Quantum Mechanics

    OpenAIRE

    Goldstein, Sheldon; Tumulka, Roderich; Zanghi, Nino

    2009-01-01

    Bohmian trajectories have been used for various purposes, including the numerical simulation of the time-dependent Schroedinger equation and the visualization of time-dependent wave functions. We review the purpose they were invented for: to serve as the foundation of quantum mechanics, i.e., to explain quantum mechanics in terms of a theory that is free of paradoxes and allows an understanding that is as clear as that of classical mechanics. Indeed, they succeed in serving that purpose in th...

  5. Construction of exact complex dynamical invariant of a two-dimensional classical system

    Indian Academy of Sciences (India)

    Fakir Chand; S C Mishra

    2006-12-01

    We present the construction of exact complex dynamical invariant of a two-dimensional classical dynamical system on an extended complex space utilizing Lie algebraic approach. These invariants are expected to play a vital role in understanding the complex trajectories of both classical and quantum systems.

  6. Optimum Climb to Cruise Noise Trajectories for the High Speed Civil Transport

    Science.gov (United States)

    Berton, Jeffrey J.

    2003-01-01

    By entraining large quantities of ambient air into advanced ejector nozzles, the jet noise of the proposed High Speed Civil Transport (HSCT) is expected to be reduced to levels acceptable for airport-vicinity noise certification. Away from the airport, however, this entrained air is shut off and the engines are powered up from their cutback levels to provide better thrust for the climb to cruise altitude. Unsuppressed jet noise levels propagating to the ground far from the airport are expected to be high. Complicating this problem is the HSCT's relative noise level with respect to the subsonic commercial fleet of 2010, which is expected to be much quieter than it is today after the retirement of older, louder, domestic stage II aircraft by the year 2000. In this study, the classic energy state approximation theory is extended to calculate trajectories that minimize the climb to cruise noise of the HSCT. The optimizer dynamically chooses the optimal altitude velocity trajectory, the engine power setting, and whether the ejector should be stowed or deployed with respect to practical aircraft climb constraints and noise limits.

  7. Constraint Trajectory Surface-Hopping Molecular Dynamics Simulation of the Photoisomerization of Stilbene

    Directory of Open Access Journals (Sweden)

    Yibo Lei

    2014-01-01

    Full Text Available Combining trajectory surface hopping (TSH method with constraint molecular dynamics, we have extended TSH method from full to flexible dimensional potential energy surfaces. Classical trajectories are carried out in Cartesian coordinates with constraints in internal coordinates, while nonadiabatic switching probabilities are calculated separately in free internal coordinates by Landau-Zener and Zhu-Nakamura formulas along the seam. Two-dimensional potential energy surfaces of ground S0 and excited S1 states are constructed analytically in terms of torsion angle and one dihedral angle around the central ethylenic C=C bond, and the other internal coordinates are all fixed at configuration of the conical intersection. At this conical intersection, the branching ratio from the present simulation is 48 : 52 (33 : 67 initially starting from trans(cis-Stilbene in comparison with experimental value 50 : 50. Quantum yield for trans-to-cis isomerization is estimated as 49% in very good agreement with experimental value of 55%, while quantum yield for cis-to-trans isomerization is estimated as 47% in comparison with experimental value of 35%.

  8. Dynamics of quantum trajectories in chaotic systems

    CERN Document Server

    Wisniacki, D A; Benito, R M

    2003-01-01

    Quantum trajectories defined in the de Broglie--Bohm theory provide a causal way to interpret physical phenomena. In this Letter, we use this formalism to analyze the short time dynamics induced by unstable periodic orbits in a classically chaotic system, a situation in which scars are known to play a very important role. We find that the topologies of the quantum orbits are much more complicated than that of the scarring and associated periodic orbits, since the former have quantum interference built in. Thus scar wave functions are necessary to analyze the corresponding dynamics. Moreover, these topologies imply different return routes to the vicinity of the initial positions, and this reflects in the existence of different contributions in each peak of the survival probability function.

  9. Stabilizing chaotic-scattering trajectories using control

    Science.gov (United States)

    Lai, Ying-Cheng; Tél, Tamás; Grebogi, Celso

    1993-08-01

    The method of stabilizing unstable periodic orbits in chaotic dynamical systems by Ott, Grebogi, and Yorke (OGY) is applied to control chaotic scattering in Hamiltonian systems. In particular, we consider the case of nonhyperbolic chaotic scattering, where there exist Kolmogorov-Arnold-Moser (KAM) surfaces in the scattering region. It is found that for short unstable periodic orbits not close to the KAM surfaces, both the probability that a particle can be controlled and the average time to achieve control are determined by the initial exponential decay rate of particles in the hyperbolic component. For periodic orbits near the KAM surfaces, due to the stickiness effect of the KAM surfaces on particle trajectories, the average time to achieve control can greatly exceed that determined by the hyperbolic component. The applicability of the OGY method to stabilize intermediate complexes of classical scattering systems is suggested.

  10. Fermions from classical statistics

    OpenAIRE

    2010-01-01

    We describe fermions in terms of a classical statistical ensemble. The states $\\tau$ of this ensemble are characterized by a sequence of values one or zero or a corresponding set of two-level observables. Every classical probability distribution can be associated to a quantum state for fermions. If the time evolution of the classical probabilities $p_\\tau$ amounts to a rotation of the wave function $q_\\tau(t)=\\pm \\sqrt{p_\\tau(t)}$, we infer the unitary time evolution of a quantum system of fe...

  11. Davidson and classical pragmatism

    Directory of Open Access Journals (Sweden)

    Paula Rossi

    2007-06-01

    Full Text Available In this paper I wish to trace some connections between Donald Davidson's work (1917-2003 and two major representatives of the classical pragmatist movement: Charles S. Peirce (1839-1914 and William James (1842-1910. I will start with a basic characterization of classical pragmatism; then, I shall examine certain conceptions in Peirce's and James' pragmatism, in order to establish affinities with Davidson´s thought. Finally, and bearing in mind the previous con-nections, I will reflect briefly on the relevance –often unrecognized- of classical pragmatist ideas in the context of contemporary philosophi-cal discussions.

  12. Parametric Approach to Trajectory Tracking Control of Robot Manipulators

    Directory of Open Access Journals (Sweden)

    Shijie Zhang

    2013-01-01

    Full Text Available The mathematic description of the trajectory of robot manipulators with the optimal trajectory tracking problem is formulated as an optimal control problem, and a parametric approach is proposed for the optimal trajectory tracking control problem. The optimal control problem is first solved as an open loop optimal control problem by using a time scaling transform and the control parameterization method. Then, by virtue of the relationship between the optimal open loop control and the optimal closed loop control along the optimal trajectory, a practical method is presented to calculate an approximate optimal feedback gain matrix, without having to solve an optimal control problem involving the complex Riccati-like matrix differential equation coupled with the original system dynamics. Simulation results of 2-link robot manipulator are presented to show the effectiveness of the proposed method.

  13. Prediction of the discharge trajectories of bulk materials

    Energy Technology Data Exchange (ETDEWEB)

    Golka, K. (Pacific Power, Sydney, NSW (Australia))

    1993-11-01

    The theory of discharge trajectories of granular materials without cohesion and adhesion from material handling equipment is reviewed in terms of its application within the design process. Theoretical formulae of discharge trajectories are provided for underside and topside limits of the bulk material path. The fundamental force, velocity, and the continuity-flow relationships, are the main factors used in describing the material's trajectory functions. The analytical functions developed are for kinematic material stream conditions when discharging from: (a) head pulleys of belt conveyors; (b) chutes and cross belt samplers. To predict the trajectory path for real conditions, divergent coefficients have been introduced to the theoretical functions. Computer calculations and graphical representations indicate how the theoretical approach can be useful for practical design. 10 refs., 6 figs.

  14. Instrument concept of a single channel dust trajectory detector

    Science.gov (United States)

    Li, Yanwei; Kempf, Sascha; Simolka, Jonas; Strack, Heiko; Grün, Eberhard; Srama, Ralf

    2017-03-01

    Charged dust particles in space can be detected by in situ sensors using charge induction. Such trajectory sensors are normally based on many grid or wire electrodes connected to individual charge sensitive amplifiers. In this article we describe a new approach to measure the trajectory of a charged dust particle by a single charge sensitive amplifier. The signal shape is used to calculate particle speed, mass and trajectory. The detector employs two half-circular grid electrodes, and the electrodes are connected to the differential input stage of an amplifier. Simulations using the Coulomb 9.0 software package were performed in order to determine the expected signal shapes depending on the particle parameters (entry location and incident angles). The simulated charge signals show, that the chosen measurement concept is an efficient method for low-power and low-mass dust trajectory sensors.

  15. Classical simulation of atomic beam focusing and deposition for atom lithography

    Institute of Scientific and Technical Information of China (English)

    Xianzhong Chen(陈献忠); Hanmin Yao(姚汉民); Xunan Chen(陈旭南)

    2004-01-01

    We start from the intensity distribution of a standing wave (SW) laser field and deduce the classical equation of atomic motion. The image distortion is analyzed using transfer function approach. Atomic flux density distribution as a function of propagation distance is calculated based on Monte-Carlo scheme and trajectory tracing method. Simulation results have shown that source imperfection, especially beam spread, plays an important role in broadening the feature width, and the focus depth of atom lens for real atomic source is longer than that for perfect source. The ideal focal plane can be easily determined by the variation of atomic density at the minimal potential of the laser field as a function of traveling distance.

  16. Advanced classical field theory

    CERN Document Server

    Giachetta, Giovanni; Sardanashvily, Gennadi

    2009-01-01

    Contemporary quantum field theory is mainly developed as quantization of classical fields. Therefore, classical field theory and its BRST extension is the necessary step towards quantum field theory. This book aims to provide a complete mathematical foundation of Lagrangian classical field theory and its BRST extension for the purpose of quantization. Based on the standard geometric formulation of theory of nonlinear differential operators, Lagrangian field theory is treated in a very general setting. Reducible degenerate Lagrangian theories of even and odd fields on an arbitrary smooth manifold are considered. The second Noether theorems generalized to these theories and formulated in the homology terms provide the strict mathematical formulation of BRST extended classical field theory

  17. Radarsat observations and forecasting of oil slick trajectory movements

    Institute of Scientific and Technical Information of China (English)

    Maged Marghany

    2004-01-01

    RADARSAT data have a potential role for coastal pollution monitoring. This study presents a new approach to detect and forecast oil slick trajectory movements. The oil slick trajectory movements is based on the tidal current effects and Fay's algorithm for oil slick spreading mechanisms. The oil spill trajectory model contains the integration between Doppler frequency shift model and Lagrangian model. Doppler frequency shift model implemented to simulate tidal current pattern from RADARSAT data while the Lagrangian model used to predict oil spill spreading pattern. The classical Fay's algorithm was implemented with the two models to simulate the oil spill trajectory movements.The study shows that the slick lengths are effected by tidal current V component with maximum velocity of 1.4 m/s. This indicates thatoil slick trajectory path is moved towards the north direction. The oil slick parcels are accumulated along the coastline after 48 h. Theanalysis indicated that tidal current V components were the dominant forcing for oil slick spreading.

  18. Trajectory Design to Benefit Trajectory-Based Surface Operations Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Trajectory-based operations constitute a key mechanism considered by the Joint Planning and Development Office (JPDO) for managing traffic in high-density or...

  19. On Noncommutative Classical Mechanics

    CERN Document Server

    Djemai, A E F

    2003-01-01

    In this work, I investigate the noncommutative Poisson algebra of classical observables corresponding to a proposed general Noncommutative Quantum Mechanics, \\cite{1}. I treat some classical systems with various potentials and some Physical interpretations are given concerning the presence of noncommutativity at large scales (Celeste Mechanics) directly tied to the one present at small scales (Quantum Mechanics) and its possible relation with UV/IR mixing.

  20. Between classical and quantum

    OpenAIRE

    2007-01-01

    The relationship between classical and quantum theory is of central importance to the philosophy of physics, and any interpretation of quantum mechanics has to clarify it. Our discussion of this relationship is partly historical and conceptual, but mostly technical and mathematically rigorous, including over 500 references. On the assumption that quantum mechanics is universal and complete, we discuss three ways in which classical physics has so far been believed to emerge from quantum physic...

  1. Quantum and Classic Brackets

    OpenAIRE

    Kisil, Vladimir V.

    2000-01-01

    We describe an $p$-mechanical (see funct-an/9405002 and quant-ph/9610016) brackets which generate quantum (commutator) and classic (Poisson) brackets in corresponding representations of the Heisenberg group. We \\emph{do not} use any kind of semiclassic approximation or limiting procedures for $\\hbar \\to 0$. Harmonic oscillator considered within the approach. Keywords: Classic and quantum mechanics, Hamilton and Heisenberg equations, Poisson brackets, commutator, Heisenberg group.

  2. Fractional trajectories: Decorrelation versus friction

    Science.gov (United States)

    Svenkeson, A.; Beig, M. T.; Turalska, M.; West, B. J.; Grigolini, P.

    2013-11-01

    The fundamental connection between fractional calculus and subordination processes is explored and affords a physical interpretation of a fractional trajectory, that being an average over an ensemble of stochastic trajectories. Heretofore what has been interpreted as intrinsic friction, a form of non-Markovian dissipation that automatically arises from adopting the fractional calculus, is shown to be a manifestation of decorrelations between trajectories. We apply the general theory developed herein to the Lotka-Volterra ecological model, providing new insight into the final equilibrium state. The relaxation time to achieve this state is also considered.

  3. Adding quantum effects to the semi-classical molecular dynamics simulations

    CERN Document Server

    Yang, Siyang

    2011-01-01

    Simulating the molecular dynamics (MD) using classical or semi-classical trajectories provides important details for the understanding of many chemical reactions, protein folding, drug design, and solvation effects. MD simulations using trajectories have achieved great successes in the computer simulations of various systems, but it is difficult to incorporate quantum effects in a robust way. Therefore, improving quantum wavepacket dynamics and incorporating nonadiabatic transitions and quantum effects into classical and semi-classical molecular dynamics is critical as well as challenging. In this paper, we present a MD scheme in which a new set of equations of motion (EOM) are proposed to effectively propagate nuclear trajectories while conserving quantum mechanical energy which is critical for describing quantum effects like tunneling. The new quantum EOM is tested on a one-state one-dimensional and a two-state two-dimensional model nonadiabatic systems. The global quantum force experienced by each trajecto...

  4. Thermodynamic integration from classical to quantum mechanics.

    Science.gov (United States)

    Habershon, Scott; Manolopoulos, David E

    2011-12-14

    We present a new method for calculating quantum mechanical corrections to classical free energies, based on thermodynamic integration from classical to quantum mechanics. In contrast to previous methods, our method is numerically stable even in the presence of strong quantum delocalization. We first illustrate the method and its relationship to a well-established method with an analysis of a one-dimensional harmonic oscillator. We then show that our method can be used to calculate the quantum mechanical contributions to the free energies of ice and water for a flexible water model, a problem for which the established method is unstable.

  5. Adaptive Trajectory Design (ATD) Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Mission design within unstable/stable regions needs unification of individual trajectories from different dynamical regimes. NASA needs an automated process to blend...

  6. Spin Resonance Strength Calculations

    Science.gov (United States)

    Courant, E. D.

    2009-08-01

    In calculating the strengths of depolarizing resonances it may be convenient to reformulate the equations of spin motion in a coordinate system based on the actual trajectory of the particle, as introduced by Kondratenko, rather than the conventional one based on a reference orbit. It is shown that resonance strengths calculated by the conventional and the revised formalisms are identical. Resonances induced by radiofrequency dipoles or solenoids are also treated; with rf dipoles it is essential to consider not only the direct effect of the dipole but also the contribution from oscillations induced by it.

  7. Spin resonance strength calculations

    Energy Technology Data Exchange (ETDEWEB)

    Courant,E.D.

    2008-10-06

    In calculating the strengths of depolarizing resonances it may be convenient to reformulate the equations of spin motion in a coordinate system based on the actual trajectory of the particle, as introduced by Kondratenko, rather than the conventional one based on a reference orbit. It is shown that resonance strengths calculated by the conventional and the revised formalisms are identical. Resonances induced by radiofrequency dipoles or solenoids are also treated; with rf dipoles it is essential to consider not only the direct effect of the dipole but also the contribution from oscillations induced by it.

  8. Zero-Point Energy Constraint for Unimolecular Dissociation Reactions. Giving Trajectories Multiple Chances To Dissociate Correctly.

    Science.gov (United States)

    Paul, Amit K; Hase, William L

    2016-01-28

    A zero-point energy (ZPE) constraint model is proposed for classical trajectory simulations of unimolecular decomposition and applied to CH4* → H + CH3 decomposition. With this model trajectories are not allowed to dissociate unless they have ZPE in the CH3 product. If not, they are returned to the CH4* region of phase space and, if necessary, given additional opportunities to dissociate with ZPE. The lifetime for dissociation of an individual trajectory is the time it takes to dissociate with ZPE in CH3, including multiple possible returns to CH4*. With this ZPE constraint the dissociation of CH4* is exponential in time as expected for intrinsic RRKM dynamics and the resulting rate constant is in good agreement with the harmonic quantum value of RRKM theory. In contrast, a model that discards trajectories without ZPE in the reaction products gives a CH4* → H + CH3 rate constant that agrees with the classical and not quantum RRKM value. The rate constant for the purely classical simulation indicates that anharmonicity may be important and the rate constant from the ZPE constrained classical trajectory simulation may not represent the complete anharmonicity of the RRKM quantum dynamics. The ZPE constraint model proposed here is compared with previous models for restricting ZPE flow in intramolecular dynamics, and connecting product and reactant/product quantum energy levels in chemical dynamics simulations.

  9. Evaluation of Small Unmanned Aircraft Flight Trajectory Accuracy

    Directory of Open Access Journals (Sweden)

    Ramūnas Kikutis

    2014-12-01

    Full Text Available Today small unmanned aircraft are being more widely adapted for practical tasks. These tasks require high reliability and flight path accuracy. For such aircraft we have to deal with the chalenge how to compensate external factors and how to ensure the accuracy of the flight trajectory according to new regulations and standards. In this paper, new regulations for the flights of small unmanned aircraft in Lithuanian air space are discussed. Main factors, which affect errors of the autonomous flight path tracking, are discussed too. The emphasis is on the wind factor and the flight path of Dubbin’s trajectories. Research was performed with mathematical-dynamic model of UAV and it was compared with theoretical calculations. All calculations and experiments were accomplished for the circular part of Dubbin’s paths when the airplane was trimmed for circular trajectory flight in calm conditions. Further, for such flight the wind influence was analysed.

  10. Trajectory planning of a robot for lower limb rehabilitation.

    Science.gov (United States)

    Pei, Y; Kim, Y; Obinata, G; Hase, K; Stefanov, D

    2011-01-01

    We introduce a method for lower-limb physical rehabilitation by means of a robot that applies preliminary defined forces to a patient's foot while moving it on a preliminary defined trajectory. We developed a special musculoskeletal model that takes into consideration the generated muscle forces of 27 musculotendon actuators and joint stiffness of the leg and allows the calculation of the motion trajectory of the robot and the forces that the robot needs to apply to the foot in each moment of the therapeutic exercise. Robotic treatment programs are customized for the individual patient by using a genetic algorithm (GA) that refers to the musculoskeletal model and calculates the parameters of the spline curves of the motion trajectory of the robot and forces acting on the foot.

  11. Non-gaussian signatures of general inflationary trajectories

    Energy Technology Data Exchange (ETDEWEB)

    Horner, Jonathan S.; Contaldi, Carlo R., E-mail: j.horner11@imperial.ac.uk, E-mail: c.contaldi@imperial.ac.uk [Theoretical Physics, Blackett Laboratory, Imperial College, London, SW7 2BZ (United Kingdom)

    2014-09-01

    We carry out a numerical calculation of the bispectrum in generalised trajectories of canonical, single-field inflation. The trajectories are generated in the Hamilton-Jacobi (HJ) formalism based on Hubble Slow Roll (HSR) parameters. The calculation allows generally shape and scale dependent bispectra, or dimensionless f{sub NL}, in the out-of-slow-roll regime. The distributions of f{sub NL} for various shapes and HSR proposals are shown as an example of how this procedure can be used within the context of Monte Carlo exploration of inflationary trajectories. We also show how allowing out-of-slow-roll behaviour can lead to a bispectrum that is relatively large for equilateral shapes.

  12. Non-Gaussian signatures of general inflationary trajectories

    CERN Document Server

    Horner, Jonathan S

    2013-01-01

    We carry out a numerical calculation of the bispectrum in generalised trajectories of canonical, single--field inflation. The trajectories are generated in the Hamilton-Jacobi (HJ) formalism based on Hubble Slow Roll (HSR) parameters. The calculation allows generally shape and scale dependent bispectra, or dimensionless $f_{NL}$, in the out-of-slow-roll regime. The distributions of $f_{NL}$ for various shapes and HSR proposals are shown as an example of how this procedure can be used within the context of Monte Carlo exploration of inflationary trajectories. We also show how allowing out-of-slow-roll behaviour can lead to a bispectrum that is relatively large for equilateral shapes.

  13. Research on Cutting Trajectory of Electroplated Diamond Wire Saw

    Institute of Scientific and Technical Information of China (English)

    张辽远; 王超; 王建光; 杨勇

    2012-01-01

    The cutting process of electroplated diamond wire saw was researched on the basis of impulse and vibration machining theories. The different contact states in the cutting process were analyzed by using the finite element method. It shows that the cutting stress is uniformly distributed along the direction of the workpiece width in the steady state. A mathematical equation of sawing trajectory was established by using the superposition principle and the cutting experiment of wire saw to calculate the cutting trajectory. The comparison of the theoretical trajectory with the calculated one indicates that the error is less than 15%. The research results provide a theoretic basis for optimization of the saw' s cutting process parameters.

  14. Regularities in hadron systematics, Regge trajectories and a string quark model

    Energy Technology Data Exchange (ETDEWEB)

    Chekanov, S.V. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Levchenko, B.B. [Moscow State Univ. (Russian Federation). Skobeltsyn Inst. of Nuclear Physics

    2006-08-15

    An empirical principle for the construction of a linear relationship between the total angular momentum and squared-mass of baryons is proposed. In order to examine linearity of the trajectories, a rigorous least-squares regression analysis was performed. Unlike the standard Regge-Chew-Frautschi approach, the constructed trajectories do not have non-linear behaviour. A similar regularity may exist for lowest-mass mesons. The linear baryonic trajectories are well described by a semi-classical picture based on a spinning relativistic string with tension. The obtained numerical solution of this model was used to extract the (di)quark masses. (orig.)

  15. An analysis of model proton-coupled electron transfer reactions via the mixed quantum-classical Liouville approach.

    Science.gov (United States)

    Shakib, Farnaz A; Hanna, Gabriel

    2014-07-28

    The nonadiabatic dynamics of model proton-coupled electron transfer (PCET) reactions is investigated for the first time using a surface-hopping algorithm based on the solution of the mixed quantum-classical Liouville equation (QCLE). This method provides a rigorous treatment of quantum coherence/decoherence effects in the dynamics of mixed quantum-classical systems, which is lacking in the molecular dynamics with quantum transitions surface-hopping approach commonly used for simulating PCET reactions. Within this approach, the protonic and electronic coordinates are treated quantum mechanically and the solvent coordinate evolves classically on both single adiabatic surfaces and on coherently coupled pairs of adiabatic surfaces. Both concerted and sequential PCET reactions are studied in detail under various subsystem-bath coupling conditions and insights into the dynamical principles underlying PCET reactions are gained. Notably, an examination of the trajectories reveals that the system spends the majority of its time on the average of two coherently coupled adiabatic surfaces, during which a phase enters into the calculation of an observable. In general, the results of this paper demonstrate the applicability of QCLE-based surface-hopping dynamics to the study of PCET and emphasize the importance of mean surface evolution and decoherence effects in the calculation of PCET rate constants.

  16. Surface-hopping trajectories for OH(A{sup 2}Σ{sup +}) + Kr: Extension to the 1A″ state

    Energy Technology Data Exchange (ETDEWEB)

    Perkins, T.; McCrudden, G.; Brouard, M., E-mail: mark.brouard@chem.ox.ac.uk [The Department of Chemistry, The Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QZ (United Kingdom); Herráez-Aguilar, D.; Aoiz, F.J., E-mail: aoiz@quim.ucm.es [Departamento de Química Física, Facultad de Química, Universidad Complutense, 28040 Madrid (Spain); Kłos, J., E-mail: jklos@umd.edu [Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland 20742 (United States)

    2015-04-14

    We present a new trajectory surface hopping study of the rotational energy transfer and collisional quenching of electronically excited OH(A) radicals by Kr. The trajectory surface hopping calculations include both electronic coupling between the excited 2{sup 2}A′ and ground 1{sup 2}A′ electronic states, as well as Renner-Teller and Coriolis roto-electronic couplings between the 1{sup 2}A′ and 1{sup 2}A″, and the 2{sup 2}A′ and 1{sup 2}A″ electronic states, respectively. The new calculations are shown to lead to a noticeable improvement in the agreement between theory and experiment in this system, particularly with respect to the OH(X) rotational and Λ-doublet quantum state populations, compared with a simpler two-state treatment, which only included the electronic coupling between the 2{sup 2}A′ and 1{sup 2}A′ states. Discrepancies between the predictions of theory and experiment do however remain, and could arise either due to errors in the potential energy surfaces and couplings employed, or due to the limitations in the classical treatment of non-adiabatic effects.

  17. Discrete Classical Electromagnetic Fields

    CERN Document Server

    De Souza, M M

    1997-01-01

    The classical electromagnetic field of a spinless point electron is described in a formalism with extended causality by discrete finite transverse point-vector fields with discrete and localized point interactions. These fields are taken as a classical representation of photons, ``classical photons". They are all transversal photons; there are no scalar nor longitudinal photons as these are definitely eliminated by the gauge condition. The angular distribution of emitted photons coincides with the directions of maximum emission in the standard formalism. The Maxwell formalism and its standard field are retrieved by the replacement of these discrete fields by their space-time averages, and in this process scalar and longitudinal photons are necessarily created and added. Divergences and singularities are by-products of this averaging process. This formalism enlighten the meaning and the origin of the non-physical photons, the ones that violate the Lorentz condition in manifestly covariant quantization methods.

  18. Between classical and quantum

    CERN Document Server

    Landsman, N P

    2005-01-01

    The relationship between classical and quantum theory is of central importance to the philosophy of physics, and any interpretation of quantum mechanics has to clarify it. Our discussion of this relationship is partly historical and conceptual, but mostly technical and mathematically rigorous, including over 500 references. On the assumption that quantum mechanics is universal and complete, we discuss three ways in which classical physics has so far been believed to emerge from quantum physics, namely in the limit h -> 0 of small Planck's constant (in a finite system), in the limit of a large system, and through decoherence and consistent histores. The first limit is closely related to modern quantization theory and microlocal analysis, whereas the second involves methods of C*-algebras and the concepts of superselection sectors and macroscopic observables. In these limits, the classical world does not emerge as a sharply defined objective reality, but rather as an approximate appearance relative to certain "...

  19. Randomness: Quantum versus classical

    Science.gov (United States)

    Khrennikov, Andrei

    2016-05-01

    Recent tremendous development of quantum information theory has led to a number of quantum technological projects, e.g. quantum random generators. This development had stimulated a new wave of interest in quantum foundations. One of the most intriguing problems of quantum foundations is the elaboration of a consistent and commonly accepted interpretation of a quantum state. Closely related problem is the clarification of the notion of quantum randomness and its interrelation with classical randomness. In this short review, we shall discuss basics of classical theory of randomness (which by itself is very complex and characterized by diversity of approaches) and compare it with irreducible quantum randomness. We also discuss briefly “digital philosophy”, its role in physics (classical and quantum) and its coupling to the information interpretation of quantum mechanics (QM).

  20. Classical mechanics with Maxima

    CERN Document Server

    Timberlake, Todd Keene

    2016-01-01

    This book guides undergraduate students in the use of Maxima—a computer algebra system—in solving problems in classical mechanics. It functions well as a supplement to a typical classical mechanics textbook. When it comes to problems that are too difficult to solve by hand, computer algebra systems that can perform symbolic mathematical manipulations are a valuable tool. Maxima is particularly attractive in that it is open-source, multiple-platform software that students can download and install free of charge. Lessons learned and capabilities developed using Maxima are easily transferred to other, proprietary software.

  1. Covariantizing Classical Field Theories

    CERN Document Server

    López, Marco Castrillón

    2010-01-01

    We show how to enlarge the covariance group of any classical field theory in such a way that the resulting "covariantized" theory is 'essentially equivalent' to the original. In particular, our technique will render any classical field theory generally covariant, that is, the covariantized theory will be spacetime diffeomorphism-covariant and free of absolute objects. Our results thus generalize the well-known parametrization technique of Dirac and Kucha\\v{r}. Our constructions apply equally well to internal covariance groups, in which context they produce natural derivations of both the Utiyama minimal coupling and St\\"uckelberg tricks.

  2. Problems in classical mechanics

    CERN Document Server

    Katkar, L N

    2014-01-01

    Problems in classical mechanics presents a lucid treatment of the formulations of Lagrangian, Hamiltonian, and the Principles of Calculus of Variations etc. important for the study of modern physics. The study of classical mechanics prepares students to apply the principles and the mathematical tools to solve real life problems. The book also incorporates and discusses in detail topics such as Central Force Motion, Rigid Body Motion and Canonical Transformations. KEY FEATURES: Around 200 solved examples with complete mathematical theory Around 70 examples given as an exercise to test and develop students understanding The physical interpretation of the Hamiltonian is highlighted

  3. Classic Problems of Probability

    CERN Document Server

    Gorroochurn, Prakash

    2012-01-01

    "A great book, one that I will certainly add to my personal library."—Paul J. Nahin, Professor Emeritus of Electrical Engineering, University of New Hampshire Classic Problems of Probability presents a lively account of the most intriguing aspects of statistics. The book features a large collection of more than thirty classic probability problems which have been carefully selected for their interesting history, the way they have shaped the field, and their counterintuitive nature. From Cardano's 1564 Games of Chance to Jacob Bernoulli's 1713 Golden Theorem to Parrondo's 1996 Perplexin

  4. Classical Holographic Codes

    CERN Document Server

    Brehm, Enrico M

    2016-01-01

    In this work, we introduce classical holographic codes. These can be understood as concatenated probabilistic codes and can be represented as networks uniformly covering hyperbolic space. In particular, classical holographic codes can be interpreted as maps from bulk degrees of freedom to boundary degrees of freedom. Interestingly, they are shown to exhibit features similar to those expected from the AdS/CFT correspondence. Among these are a version of the Ryu-Takayanagi formula and intriguing properties regarding bulk reconstruction and boundary representations of bulk operations. We discuss the relation of our findings with expectations from AdS/CFT and, in particular, with recent results from quantum error correction.

  5. Learning Classical Music Club

    CERN Multimedia

    Learning Classical Music Club

    2010-01-01

    There is a new CERN Club called “Learning Classical Music at CERN”. We are aiming to give classical music lessons for different instruments (see link) for students from 5 to 100 years old. We are now ready to start our activities in the CERN barracks. We are now in the enrollment phase and hope to start lessons very soon ! Club info can be found in the list of CERN Club: http://user.web.cern.ch/user/Communication/SocialLifeActivities/Clubs/Clubs.html Salvatore Buontempo Club President

  6. Trajectories in Operating a Handheld Tool

    Science.gov (United States)

    Heuer, Herbert; Sulzenbruck, Sandra

    2009-01-01

    The authors studied the trajectories of the hand and of the tip of a handheld sliding first-order lever in aiming movements. With this kind of tool, straight trajectories of the hand are generally associated with curved trajectories of the tip of the lever and vice versa. Trajectories of the tip of the lever exhibited smaller deviations from…

  7. Crack trajectory near a weld: Modeling and simulation

    DEFF Research Database (Denmark)

    Rashid, M.M.; Tvergaard, Viggo

    2008-01-01

    A 2D computational model of ductile fracture, in which arbitrary crack extension through the mesh is accommodated without mesh bias, is used to study ductile fracture near the weld line in welded aluminum plates. Comparisons of the calculated toughness behavior and crack trajectory are made with ...

  8. Ivar asteroid rendezvous mission system scenario and trajectory design

    Institute of Scientific and Technical Information of China (English)

    崔平远; 李立涛; 崔祜涛; 栾恩杰; 吴伟仁; 田玉龙

    2003-01-01

    The asteroid exploration opportunities are searched and calculated with launch dates in 2006 to2010, and with asteroid Ivar 1627 as the target, the spacecraft and its subsystems are designed and analyzed,and the transfer trajectory is designed using △VEGA technology for the asteroid rendezvous. The design resultssatisfied the energy requirements for small explorers.

  9. Two-Loop Gluon Regge Trajectory from Lipatov's Effective Action

    CERN Document Server

    Chachamis, Grigorios; Madrigal, José Daniel; Vera, Agustín Sabio

    2012-01-01

    Lipatov's high-energy effective action is a useful tool for computations in the Regge limit beyond leading order. Recently, a regularisation/subtraction prescription has been proposed that allows to apply this formalism to calculate next-to-leading order corrections in a consistent way. We illustrate this procedure with the computation of the gluon Regge trajectory at two loops.

  10. Dynamics of the classical planar spin chain

    NARCIS (Netherlands)

    Raedt, Bart De; Raedt, Hans De

    1978-01-01

    In this paper we pay attention to the classical one-dimensional planar spin system and, in particular, to the dynamics of such a model. We use the Monte Carlo method to calculate the static correlation functions, needed to determine the relaxation functions completely. We are then able to give the r

  11. Estimation of Trajectory and Location for Mobile Sound Source

    Directory of Open Access Journals (Sweden)

    Mehmet Cem Catalbas

    2016-09-01

    Full Text Available In this paper, we present an approach to estimate mobile sound source trajectory. An artificially created sound source signal is used in this work. The main aim of this paper is to estimate the mobile object trajectory via sound processing methods. The performance of generalized cross correlation techniques is compared with that of noise reduction filters for the success of trajectory estimation. The azimuth angle between the sound source and receiver is calculated during the whole movement. The parameter of Interaural Time Difference (ITD is utilized for determining azimuth angle. The success of estimated delay is compared with different types of Generalized Cross Correlation (GCC algorithms. In this study, an approach for sound localization and trajectory estimation on 2D space is proposed. Besides, different types of pre-filter method are tried for removing the noise and signal smoothing of recorded sound signals. Some basic parameters of sound localization process are also explained. Moreover, the calculation error of average azimuth angle is compared with different GCC and pre-filtered methods. To conclude, it is observed that estimation of location and trajectory information of a mobile object from a stereo sound recording is realized successfully.

  12. Designing Complex Interplanetary Trajectories for the Global Trajectory Optimization Competitions

    CERN Document Server

    Izzo, Dario; Simões, Luís F; Märtens, Marcus

    2015-01-01

    The design of interplanetary trajectories often involves a preliminary search for options that are later refined into one final selected trajectory. It is this broad search that, often being intractable, inspires the international event called Global Trajectory Optimization Competition. In the first part of this chapter, we introduce some fundamental problems of space flight mechanics, building blocks of any attempt to participate successfully in these competitions and we describe the use of the open source software PyKEP to assemble them into a final global solution strategy. In the second part, we formulate an instance of a multiple asteroid rendezvous problem, related to the 7th edition of the competition, and we show step by step how to build a possible solution strategy. We introduce two new techniques useful in the design of this particular mission type: the use of an asteroid phasing value and its surrogates and the efficient computation of asteroid clusters. We show how basic building blocks, sided to...

  13. CHANG'E-3 contingency scheme and trajectory

    Science.gov (United States)

    Liu, Lei; Cao, Jian-feng; Liu, Yong; Hu, Song-jie; Tang, Ge-shi; Xie, Jian-feng

    2015-02-01

    This paper addresses contingency trajectories of CHANG'E-3 in the case of a failure of the lunar brake, which is crucial to the CHANG'E-3 mission, i.e., the first Chinese lunar soft-landing and rover mission. Considering the flight-time and control-energy requirements placed on the contingency trajectories, the paper proposes a direct return method and a low-energy return method and develops the corresponding contingency trajectories based on the CHANG'E-3 cislunar transfer trajectory. The direct return method was studied on return style, flight time, control energy, and influence of maneuver time on energy. The low-energy return method was investigated using the method of invariant manifold calculations for a Lissajous orbit, the method of direct libration-point orbit transfer and injection, and the control strategy used for a low-energy trajectory. The results demonstrate that the control energy for direct return trajectories can be reduced using a certain flight course. When a flight time of less than half of a month is desired, a trajectory from the north celestial pole should be selected as a lunar approach trajectory for CHANG'E-3. Otherwise, a trajectory from the south celestial pole should be selected. Furthermore, these two trajectories have approximately equal velocity increments if their flight-time difference is close to half of a month. In the case of the low-energy return method, methods using approximate manifold calculations for a Lissajous orbit and the direct transfer and injection to a libration-point orbit are proposed and shown to be useful. CHANG'E-3 would return via the Sun-Earth L2 libration point and would require four maneuvers during its flight. The low-energy return method offers remarkable energy savings of up to 267 m/s compared to the direct return method. The methodology not only provides a contingency control technique for CHANG'E-3 and for future lunar missions, but it also serves as a beneficial supplement to the present studies

  14. Calculation of the transport and relaxation properties of dilute water vapor

    Science.gov (United States)

    Hellmann, Robert; Bich, Eckard; Vogel, Eckhard; Dickinson, Alan S.; Vesovic, Velisa

    2009-07-01

    Transport properties of dilute water vapor have been calculated in the rigid-rotor approximation using four different potential energy hypersurfaces and the classical-trajectory method. Results are reported for shear viscosity, self-diffusion, thermal conductivity, and volume viscosity in the dilute-gas limit for the temperature range of 250-2500 K. Of these four surfaces the CC-pol surface of Bukowski et al. [J. Chem. Phys. 128, 094314 (2008)] is in best accord with the available measurements. Very good agreement is found with the most accurate results for viscosity in the whole temperature range of the experiments. For thermal conductivity the deviations of the calculated values from the experimental data increase systematically with increasing temperature to around 5% at 1100 K. For both self-diffusion and volume viscosity, the much more limited number of available measurements are generally consistent with the calculated values, apart from the lower temperature isotopically labeled diffusion measurements.

  15. Strong Coupling and Classicalization

    CERN Document Server

    Dvali, Gia

    2016-01-01

    Classicalization is a phenomenon in which a theory prevents itself from entering into a strong-coupling regime, by redistributing the energy among many weakly-interacting soft quanta. In this way, the scattering process of some initial hard quanta splits into a large number of soft elementary processes. In short, the theory trades the strong coupling for a high-multiplicity of quanta. At very high energies, the outcome of such a scattering experiment is a production of soft states of high occupation number that are approximately classical. It is evident that black hole creation in particle collision at super-Planckian energies is a result of classicalization, but there is no a priory reason why this phenomenon must be limited to gravity. If the hierarchy problem is solved by classicalization, the LHC has a chance of detecting a tower of new resonances. The lowest-lying resonances must appear right at the strong coupling scale in form of short-lived elementary particles. The heavier members of the tower must b...

  16. Classical Mythology. Fourth Edition.

    Science.gov (United States)

    Morford, Mark P. O.; Lenardon, Robert J.

    Designed for students with little or no background in classical literature, this book introduces the Greek and Roman myths of creation, myths of the gods, Greek sagas and local legends, and presents contemporary theories about the myths. Drawing on Homer, Hesiod, Pindar, Vergil, and others, the book provides many translations and paraphrases of…

  17. Classical galactosaemia revisited

    NARCIS (Netherlands)

    A.M. Bosch

    2006-01-01

    Classical galactosaemia (McKusick 230400) is an: autosomal recessive disorder of galactose metabolism, caused by a deficiency of the enzyme galactose-1-phosphate uridyltransferase (GALT; EC 2.7.712). Most patients present in the neonatal period, after ingestion of galactose, with jaundice, hepatospl

  18. Classicism and Romanticism.

    Science.gov (United States)

    Huddleston, Gregory H.

    1993-01-01

    Describes one teacher's methods for introducing to secondary English students the concepts of Classicism and Romanticism in relation to pictures of gardens, architecture, music, and literary works. Outlines how the unit leads to a writing assignment based on collected responses over time. (HB)

  19. Mecanica Clasica (Classical Mechanics)

    OpenAIRE

    Rosu, H. C.

    1999-01-01

    First Internet graduate course on Classical Mechanics in Spanish (Castellano). This is about 80% of the material I covered during the January-June 1999 semester at IFUG in the Mexican city of Leon. English and Romanian versions are in (slow) progress and hopefully will be arXived. For a similar course on Quantum Mechanics, see physics/9808031

  20. Nuclear motion is classical

    CERN Document Server

    Frank, Irmgard

    2016-01-01

    The notion from ab-initio molecular dynamics simulations that nuclear motion is best described by classical Newton dynamics instead of the time-dependent Schr{\\"o}dinger equation is substantiated. In principle a single experiment should bring clarity. Caution is however necessary, as temperature dependent effects must be eliminated when trying to determine the existence of a zero-point energy.

  1. Mecanica Clasica (Classical Mechanics)

    CERN Document Server

    Rosu, H C

    1999-01-01

    First Internet undergraduate course on Classical Mechanics in Spanish (Castellano). This is about 80% of the material I covered during the January-June 1999 semester at IFUG in the Mexican city of Leon. English and Romanian versions are in (slow) progress and hopefully will be arXived. For a similar course on Quantum Mechanics, see physics/9808031

  2. Classical Mechanics Laboratory

    Science.gov (United States)

    Brosing, Juliet W.

    2006-12-01

    At Pacific University we have included a lab with our upper division Classical Mechanics class. We do a combination of physical labs (air resistance, harmonic motion, amusement park physics), Maple labs (software), and projects. Presentation of some of the labs, results and challenges with this course will be included.

  3. Children's Classics. Fifth Edition.

    Science.gov (United States)

    Jordan, Alice M.

    "Children's Classics," a 1947 article by Alice M. Jordan reprinted from "The Horn Book Magazine," examines the dynamics and appeal of some of the most famous books for young readers, including "Alice in Wonderland,""The Wind in the Willows,""Robinson Crusoe," and "Andersen's Fairy Tales." Paul Hein's annotated bibliography, a revision of Jordan's…

  4. Generic trajectory representation and trajectory following for wheeled robots

    DEFF Research Database (Denmark)

    Kjærgaard, Morten; Andersen, Nils Axel; Ravn, Ole

    2014-01-01

    will drive. Safe: Avoid fatal collisions. Based on a survey of existing methods and algorithms the article presents a generic way to represent constraints for different types of robots, a generic way to represent trajectories using Bëzier curves, a method to convert the trajectory so it can be driven......This article presents the work towards a purely generic navigation solution for wheeled mobile robots motivated by the following goals: Generic: Works for different types of robots. Configurable: Parameters maps to geometric properties of the robot. Predictable: Well defined where the robot...

  5. Trajectory generation of space telerobots

    Science.gov (United States)

    Lumia, R.; Wavering, A. J.

    1989-01-01

    The purpose is to review a variety of trajectory generation techniques which may be applied to space telerobots and to identify problems which need to be addressed in future telerobot motion control systems. As a starting point for the development of motion generation systems for space telerobots, the operation and limitations of traditional path-oriented trajectory generation approaches are discussed. This discussion leads to a description of more advanced techniques which have been demonstrated in research laboratories, and their potential applicability to space telerobots. Examples of this work include systems that incorporate sensory-interactive motion capability and optimal motion planning. Additional considerations which need to be addressed for motion control of a space telerobot are described, such as redundancy resolution and the description and generation of constrained and multi-armed cooperative motions. A task decomposition module for a hierarchical telerobot control system which will serve as a testbed for trajectory generation approaches which address these issues is also discussed briefly.

  6. Trajectory Indexing Using Movement Constraints

    DEFF Research Database (Denmark)

    Pfoser, D.; Jensen, Christian Søndergaard

    2005-01-01

    With the proliferation of mobile computing, the ability to index efficiently the movements of mobile objects becomes important. Objects are typically seen as moving in two-dimensional (x,y) space, which means that their movements across time may be embedded in the three-dimensional (x,y,t) space...... is to reduce movements to occur in one spatial dimension. As a consequence, the movement occurs in two-dimensional (x,t) space. The advantages of considering such lower-dimensional trajectories are that the overall size of the data is reduced and that lower-dimensional data is to be indexed. Since off......-the-shelf database management systems typically do not offer higher-dimensional indexing, this reduction in dimensionality allows us to use existing DBMSes to store and index trajectories. Moreover, we argue that, given the right circumstances, indexing these dimensionality-reduced trajectories can be more efficient...

  7. Dynamical Convergence Trajectory in Networks

    Institute of Scientific and Technical Information of China (English)

    TAN Ning; ZHANG Yun-Jun; OUYANG Qi; GENG Zhi

    2005-01-01

    @@ It is well known that topology and dynamics are two major aspects to determine the function of a network. We study one of the dynamic properties of a network: trajectory convergence, i.e. how a system converges to its steady state. Using numerical and analytical methods, we show that in a logical-like dynamical model, the occurrence of convergent trajectory in a network depends mainly on the type of the fixed point and the ratio between activation and inhibition links. We analytically proof that this property is induced by the competition between two types of state transition structures in phase space: tree-like transition structure and star-like transition structure. We show that the biological networks, such as the cell cycle network in budding yeast, prefers the tree-like transition structures and suggest that this type of convergence trajectories may be universal.

  8. Complementarity between Quantum and Classical Mechanics in Chemical Modeling. The H + HeH+ → H2 + + He Reaction: A Rigourous Test for Reaction Dynamics Methods.

    Science.gov (United States)

    Esposito, Fabrizio; Coppola, Carla Maria; De Fazio, Dario

    2015-12-24

    In this work we present a dynamical study of the H + HeH+ → H2+ + He reaction in a collision energy range from 0.1 meV to 10 eV, suitable to be used in applicative models. The paper extends and complements a recent work [ Phys. Chem. Chem. Phys. 2014, 16, 11662] devoted to the characterization of the reactivity from the ultracold regime up to the three-body dissociation breakup. In particular, the accuracy of the quasi-classical trajectory method below the three-body dissociation threshold has been assessed by a detailed comparison with previous calculations performed with different reaction dynamics methods, whereas the reliability of the results in the high energy range has been checked by a direct comparison with the available experimental data. Integral cross sections for several HeH+ roto-vibrational states have been analyzed and used to understand the extent of quantum effects in the reaction dynamics. By using the quasi-classical trajectory method and quantum mechanical close coupling data, respectively, in the high and low collision energy ranges, we obtain highly accurate thermal rate costants until 15 000 K including all (178) the roto-vibrational bound and quasi-bound states of HeH+. The role of the collision-induced dissociation is also discussed and explicitly calculated for the ground roto-vibrational state of HeH+.

  9. Multiphase Return Trajectory Optimization Based on Hybrid Algorithm

    Directory of Open Access Journals (Sweden)

    Yi Yang

    2016-01-01

    Full Text Available A hybrid trajectory optimization method consisting of Gauss pseudospectral method (GPM and natural computation algorithm has been developed and utilized to solve multiphase return trajectory optimization problem, where a phase is defined as a subinterval in which the right-hand side of the differential equation is continuous. GPM converts the optimal control problem to a nonlinear programming problem (NLP, which helps to improve calculation accuracy and speed of natural computation algorithm. Through numerical simulations, it is found that the multiphase optimal control problem could be solved perfectly.

  10. Biomimetic walking trajectory generation of humanoid robot on an inclined surface using Fourier series.

    Science.gov (United States)

    Park, Ill-Woo; Kim, Jung-Yup

    2014-10-01

    This article describes a novel method to generate a biomimetic walking trajectory for a biped humanoid robot on an inclined surface. We assume that the configuration of the inclined surface is known, and we solve the human-like walking trajectory generation problem by obtaining the solution from the desired zero moment point (ZMP) trajectory to the center of gravity (CoG) trajectory. We present an analytic solution for the walking trajectory generation by using Fourier series. From the given ZMP trajectory biomimetically represented by the Fourier series, we focus on how to find the CoG trajectory in an analytical way. A time-segmentation based approach is adopted for generating the trajectories. The trajectory functions need to be continuous between the segments; thus, the solution is found by calculating the coefficients under these connectivity conditions. We derive a general form of the ZMP equation using a simple inverted pendulum model (SIPM), which includes the ZMP and the CoG trajectories in the horizontal and vertical directions to quantify the walking parameters on the inclined surface. The performance of the proposed approach is verified by conducting walking simulations using a full-body dynamic simulator on three different inclined surfaces and comparing them to the authors' previous approach.

  11. Dynamic trajectory control of gliders

    CERN Document Server

    Dilão, Rui

    2013-01-01

    We propose a new dynamic control algorithm in order to direct the trajectory of a glider to a pre-assigned target point. The algorithms runs iteratively and the approach to the target point is self-correcting. The algorithm is applicable to any non-powered lift-enabled vehicle (glider) travelling in planetary atmospheres. As a proof of concept, we have applied the new algorithm to the command and control of the trajectory of the Space Shuttle during the Terminal Area Energy Management (TAEM) phase.

  12. The dynamics of the H(+) + D(2) reaction: a comparison of quantum mechanical wavepacket, quasi-classical and statistical-quasi-classical results.

    Science.gov (United States)

    Jambrina, P G; Aoiz, F J; Bulut, N; Smith, Sean C; Balint-Kurti, G G; Hankel, M

    2010-02-01

    A detailed study of the proton exchange reaction H(+) + D(2)(v = 0, j = 0) --> HD + D(+) on its ground 1(1)A' potential energy surface has been carried out using 'exact' close-coupled quantum mechanical wavepacket (WP-EQM), quasi-classical trajectory (QCT), and statistical quasi-classical trajectory (SQCT) calculations for a range of collision energies starting from the reaction threshold to 1.3 eV. The WP-EQM calculations include all total angular momenta up to J(max) = 50, and therefore the various dynamical observables are converged up to 0.6 eV. It has been found that it is necessary to include all Coriolis couplings to obtain reliable converged results. Reaction probabilities obtained using the different methods are thoroughly compared as a function of the total energy for a series of J values. Comparisons are also made of total reaction cross sections as function of the collision energy, and rate constants. In addition, opacity functions, integral cross sections (ICS) and differential cross sections (DCS) are presented at 102 meV, 201.3 meV and 524.6 meV collision energy. The agreement between the three sets of results is only qualitative. The QCT calculations fail to describe the overall reactivity and most of the dynamical observables correctly. At low collision energies, the QCT method is plagued by the lack of conservation of zero point energy, whilst at higher collision energies and/or total angular momenta, the appearance of an effective repulsive potential associated with the centrifugal motion "over" the well causes a substantial decrease of the reactivity. In turn, the statistical models overestimate the reactivity over the whole range of collision energies as compared with the WP-EQM method. Specifically, at sufficiently high collision energies the reaction cannot be deemed to be statistical and important dynamical effects seem to be present. In general the WP-EQM results lie in between those obtained using the QCT and SQCT methods. One of the main

  13. Classical Weyl Transverse Gravity

    CERN Document Server

    Oda, Ichiro

    2016-01-01

    We study various classical aspects of the Weyl transverse (WTDiff) gravity in a general space-time dimension. First of all, we clarify a classical equivalence among three kinds of gravitational theories, those are, the conformally-invariant scalar tensor gravity, Einstein's general relativity and the WTDiff gravity via the gauge fixing procedure. Secondly, we show that in the WTDiff gravity the cosmological constant is a mere integration constant as in unimodular gravity, but it does not receive any radiative corrections unlike the unimodular gravity. A key point in this proof is to construct a covariantly conserved energy-momentum tensor, which is achieved on the basis of this equivalence relation. Thirdly, we demonstrate that the Noether current for the Weyl transformation is identically vanishing, thereby implying that the Weyl symmetry existing in both the conformally-invariant scalar tensor gravity and the WTDiff gravity is a "fake" symmetry. We find it possible to extend this proof to all matter fields,...

  14. Classical Diophantine equations

    CERN Document Server

    1993-01-01

    The author had initiated a revision and translation of "Classical Diophantine Equations" prior to his death. Given the rapid advances in transcendence theory and diophantine approximation over recent years, one might fear that the present work, originally published in Russian in 1982, is mostly superseded. That is not so. A certain amount of updating had been prepared by the author himself before his untimely death. Some further revision was prepared by close colleagues. The first seven chapters provide a detailed, virtually exhaustive, discussion of the theory of lower bounds for linear forms in the logarithms of algebraic numbers and its applications to obtaining upper bounds for solutions to the eponymous classical diophantine equations. The detail may seem stark--- the author fears that the reader may react much as does the tourist on first seeing the centre Pompidou; notwithstanding that, Sprind zuk maintainsa pleasant and chatty approach, full of wise and interesting remarks. His emphases well warrant, ...

  15. Electrodynamics classical inconsistencies

    CERN Document Server

    De Souza, M M

    1995-01-01

    The problems of Classical Electrodynamics with the electron equation of motion and with non-integrable singularity of its self-field stress tensor are well known. They are consequences, we show, of neglecting terms that are null off the charge world line but that gives a non null contribution on its world line. The self-field stress tensor of a point classical electron is integrable, there is no causality violation and no conflict with energy conservation in its equation of motion, and there is no need of any kind of renormalization nor of any change in the Maxwell's theory for this. (This is part of the paper hep-th/9510160, stripped , for simplicity, of its non-Minkowskian geometrization of causality and of its discussion about the physical meaning of the Maxwell-Faraday concept of field).

  16. Injuries in classical ballet

    Directory of Open Access Journals (Sweden)

    Adriana Coutinho de Azevedo Guimarães

    2008-06-01

    Full Text Available This study aimed to elucidate what injuries are most likely to occur due to classical ballet practice. The research used national and international bibliography. The bibliography analysis indicated that technical and esthetical demands lead to a practice of non-anatomical movements, causing the ballet dancer to suffer from a number of associated lesions. Most of the injuries are caused by technical mistakes and wrong training. Troubles in children are usually due to trying to force external rotation at hip level and to undue use of point ballet slippers. The commonest lesions are in feet and ankles, followed by knees and hips. The rarest ones are in the upper limbs. These injuries are caused by exercise excess, by repetitions always in the same side and by wrong and early use of point slippers. The study reached the conclusion that incorrect application of classical ballet technique predisposes the dancers to characteristic injuries.

  17. Classical and statistical thermodynamics

    CERN Document Server

    Rizk, Hanna A

    2016-01-01

    This is a text book of thermodynamics for the student who seeks thorough training in science or engineering. Systematic and thorough treatment of the fundamental principles rather than presenting the large mass of facts has been stressed. The book includes some of the historical and humanistic background of thermodynamics, but without affecting the continuity of the analytical treatment. For a clearer and more profound understanding of thermodynamics this book is highly recommended. In this respect, the author believes that a sound grounding in classical thermodynamics is an essential prerequisite for the understanding of statistical thermodynamics. Such a book comprising the two wide branches of thermodynamics is in fact unprecedented. Being a written work dealing systematically with the two main branches of thermodynamics, namely classical thermodynamics and statistical thermodynamics, together with some important indexes under only one cover, this treatise is so eminently useful.

  18. Randomness: quantum versus classical

    CERN Document Server

    Khrennikov, Andrei

    2015-01-01

    Recent tremendous development of quantum information theory led to a number of quantum technological projects, e.g., quantum random generators. This development stimulates a new wave of interest in quantum foundations. One of the most intriguing problems of quantum foundations is elaboration of a consistent and commonly accepted interpretation of quantum state. Closely related problem is clarification of the notion of quantum randomness and its interrelation with classical randomness. In this short review we shall discuss basics of classical theory of randomness (which by itself is very complex and characterized by diversity of approaches) and compare it with irreducible quantum randomness. The second part of this review is devoted to the information interpretation of quantum mechanics (QM) in the spirit of Zeilinger and Brukner (and QBism of Fuchs et al.) and physics in general (e.g., Wheeler's "it from bit") as well as digital philosophy of Chaitin (with historical coupling to ideas of Leibnitz). Finally, w...

  19. Computation in Classical Mechanics

    CERN Document Server

    Timberlake, Todd

    2007-01-01

    There is a growing consensus that physics majors need to learn computational skills, but many departments are still devoid of computation in their physics curriculum. Some departments may lack the resources or commitment to create a dedicated course or program in computational physics. One way around this difficulty is to include computation in a standard upper-level physics course. An intermediate classical mechanics course is particularly well suited for including computation. We discuss the ways we have used computation in our classical mechanics courses, focusing on how computational work can improve students' understanding of physics as well as their computational skills. We present examples of computational problems that serve these two purposes. In addition, we provide information about resources for instructors who would like to include computation in their courses.

  20. Knot Invariants from Classical Field Theories

    CERN Document Server

    Leal, L C

    1999-01-01

    We consider the Non-Abelian Chern-Simons term coupled to external particles, in a gauge and diffeomorphism invariant form. The classical equations of motion are perturbativelly studied, and the on-shell action is shown to produce knot-invariants associated with the sources. The first contributions are explicitly calculated, and the corresponding knot-invariants are recognized. We conclude that the interplay between Knot Theory and Topological Field Theories is manifested not only at the quantum level, but in a classical context as well.

  1. Numerical Simulation of Single Microparticle Trajectory in an Electrodynamic Balance

    Institute of Scientific and Technical Information of China (English)

    冯昭华; 朱家骅; 杨雪峰; 夏素兰; 关国强; DavisE.J.

    2004-01-01

    By introducing Oseen's formula to describe the viscous drag force, a more complete motion equation for a charged microparticle levitated in an electrodynamic balance (EDB) has been put forward and solved numerically by the classic Runge-Kutta method in this paper. The theoretical results have firstly demonstrated the existence of the particle oscillations and their characteristics, especially of the springpoint oscillation at large amplitude .And through the comparisons of theoretical and experimental trajectories, the adopted motion equation has proved to be able to rigorously describe the particle motion in non-Stokes region--the shape of trajectory and frequencycharacteristics are fairlv consistent and the deviations of amnliturla c~n n~llzll~r ho lo~ th~n 1cIfr/~

  2. Lectures on classical electrodynamics

    CERN Document Server

    Englert, Berthold-Georg

    2014-01-01

    These lecture notes cover classical electrodynamics at the level of advanced undergraduates or postgraduates. There is a strong emphasis on the general features of the electromagnetic field and, in particular, on the properties of electromagnetic radiation. It offers a comprehensive and detailed, as well as self-contained, account of material that can be covered in a one-semester course for students with a solid undergraduate knowledge of basic electricity and magnetism.

  3. Concepts of classical optics

    CERN Document Server

    Strong, John

    2004-01-01

    An intermediate course in optics, this volume explores both experimental and theoretical concepts, offering practical knowledge of geometrical optics that will enhance students' comprehension of any relevant applied science. Its exposition of the concepts of classical optics is presented with a minimum of mathematical detail but presumes some knowledge of calculus, vectors, and complex numbers.Subjects include light as wave motion; superposition of wave motions; electromagnetic waves; interaction of light and matter; velocities and scattering of light; polarized light and dielectric boundarie

  4. Revisiting a Classic

    Science.gov (United States)

    Rogers, Ibram

    2008-01-01

    As a 26-year-old English teacher in 1958, Chinua Achebe had no idea that the book he was writing would become a literary classic, not only in Africa but also throughout the world. He could only try to articulate the feelings he had for his countrymen and women. Achebe had a burning desire to tell the true story of Africa and African humanity. The…

  5. Rate calculation with colored noise

    CERN Document Server

    Bartsch, Thomas; Benito, R M; Borondo, F

    2016-01-01

    The usual identification of reactive trajectories for the calculation of reaction rates requires very time-consuming simulations, particularly if the environment presents memory effects. In this paper, we develop a new method that permits the identification of reactive trajectories in a system under the action of a stochastic colored driving. This method is based on the perturbative computation of the invariant structures that act as separatrices for reactivity. Furthermore, using this perturbative scheme, we have obtained a formally exact expression for the reaction rate in multidimensional systems coupled to colored noisy environments.

  6. Trajectory Generation and Path Planning for Autonomous Aerobots

    Science.gov (United States)

    Sharma, Shivanjli; Kulczycki, Eric A.; Elfes, Alberto

    2007-01-01

    This paper presents global path planning algorithms for the Titan aerobot based on user defined waypoints in 2D and 3D space. The algorithms were implemented using information obtained through a planner user interface. The trajectory planning algorithms were designed to accurately represent the aerobot's characteristics, such as minimum turning radius. Additionally, trajectory planning techniques were implemented to allow for surveying of a planar area based solely on camera fields of view, airship altitude, and the location of the planar area's perimeter. The developed paths allow for planar navigation and three-dimensional path planning. These calculated trajectories are optimized to produce the shortest possible path while still remaining within realistic bounds of airship dynamics.

  7. Center of pressure trajectory differences between shod and barefoot running.

    Science.gov (United States)

    Becker, James; Pisciotta, Eric; James, Stan; Osternig, Louis R; Chou, Li-Shan

    2014-09-01

    This study examined differences in center of pressure (COP) trajectories between shod and barefoot running. Ten habitually shod runners ran continuous laps under both shod and barefoot conditions. The COP trajectory was calculated in the global coordinate system but then transformed to the anatomic coordinate system of the foot. The anterior-posterior and medio-lateral positions and excursions of the COP, as well as the most medial location and percent stand at which it occurred were examined. Additionally, external eversion moments and ground reaction forces were assessed. Compared to the shod condition, in the barefoot condition the COP was located more anteriorly early in stance and the COP was located significantly more medially at most time points across stance. There were no differences in external eversion moments during early stance or peak ground reaction forces between conditions. Future studies on mechanical or epidemiological differences between shod and barefoot running may find the COP trajectory an informative parameter to examine.

  8. Optimal online robot trajectory generation in Cartesian space

    Science.gov (United States)

    Bazaz, Shafat A.; Tondu, Bertrand

    1997-12-01

    We propose the use of cubic quadratic cubic squared (CQCS) spline for the trajectory generation in Cartesian space. Use of CQCS spline gives simple analytical solution to minimum time trajectory generation with velocity and acceleration constraints. The expressions for wandering time and wandering acceleration are also calculated. A straight line path with constant maximum allowed speed in minimum time can be generated with this method. This property leads to interpolate two position points by constant speed straight line motion with smooth transition. The advantage of this method is that the trajectory thus obtained is traversed in minimum time while passing through the given intermediate points. The simplicity of this method makes its on-line computation possible.

  9. Communication: Proper treatment of classically forbidden electronic transitions significantly improves detailed balance in surface hopping.

    Science.gov (United States)

    Sifain, Andrew E; Wang, Linjun; Prezhdo, Oleg V

    2016-06-01

    Surface hopping is the most popular method for nonadiabatic molecular dynamics. Many have reported that it does not rigorously attain detailed balance at thermal equilibrium, but does so approximately. We show that convergence to the Boltzmann populations is significantly improved when the nuclear velocity is reversed after a classically forbidden hop. The proposed prescription significantly reduces the total number of classically forbidden hops encountered along a trajectory, suggesting that some randomization in nuclear velocity is needed when classically forbidden hops constitute a large fraction of attempted hops. Our results are verified computationally using two- and three-level quantum subsystems, coupled to a classical bath undergoing Langevin dynamics.

  10. Direct dynamics trajectory study of the reaction of formaldehyde cation with D2: vibrational and zero-point energy effects on quasiclassical trajectories.

    Science.gov (United States)

    Liu, Jianbo; Song, Kihyung; Hase, William L; Anderson, Scott L

    2005-12-22

    Quasiclassical, direct dynamics trajectories have been used to study the reaction of formaldehyde cation with molecular hydrogen, simulating the conditions in an experimental study of H2CO+ vibrational effects on this reaction. Effects of five different H2CO+ modes were probed, and we also examined different approaches to treating zero-point energy in quasiclassical trajectories. The calculated absolute cross-sections are in excellent agreement with experiments, and the results provide insight into the reaction mechanism, product scattering behavior, and energy disposal, and how they vary with impact parameter and reactant state. The reaction is sharply orientation-dependent, even at high collision energies, and both trajectories and experiment find that H2CO+ vibration inhibits reaction. On the other hand, the trajectories do not reproduce the anomalously strong effect of nu2(+) (the CO stretch). The origin of the discrepancy and approaches for minimizing such problems in quasiclassical trajectories are discussed.

  11. Canonical Transformations of Kepler Trajectories

    Science.gov (United States)

    Mostowski, Jan

    2010-01-01

    In this paper, canonical transformations generated by constants of motion in the case of the Kepler problem are discussed. It is shown that canonical transformations generated by angular momentum are rotations of the trajectory. Particular attention is paid to canonical transformations generated by the Runge-Lenz vector. It is shown that these…

  12. Available Instruments for Analyzing Molecular Dynamics Trajectories.

    Science.gov (United States)

    Likhachev, I V; Balabaev, N K; Galzitskaya, O V

    2016-01-01

    Molecular dynamics trajectories are the result of molecular dynamics simulations. Trajectories are sequential snapshots of simulated molecular system which represents atomic coordinates at specific time periods. Based on the definition, in a text format trajectory files are characterized by their simplicity and uselessness. To obtain information from such files, special programs and information processing techniques are applied: from molecular dynamics animation to finding characteristics along the trajectory (versus time). In this review, we describe different programs for processing molecular dynamics trajectories. The performance of these programs, usefulness for analyses of molecular dynamics trajectories, strong and weak aspects are discussed.

  13. Calculating rate constants with updated Hessians using variational transition state theory with multidimensional tunneling.

    Science.gov (United States)

    Chuang, Yao-Yuan

    2007-08-01

    Variational transition state theory with multidimensional tunneling (VTST/MT) has been used for calculating the rate constants of reactions. The updated Hessians have been used to reduce the computational costs for both geometry optimization and trajectory following procedures. In this paper, updated Hessians are used to reduce the computational costs while calculating the rate constants applying VTST/MT. Although we found that directly applying the updated Hessians will not generate good vibrational frequencies along the minimum energy path (MEP), however, we can either re-compute the full Hessian matrices at fixed intervals or calculate the Block Hessians, which is constructed by numerical one-side difference for the Hessian elements in the "critical" region and Bofill updating scheme for the rest of the Hessian elements. Due to the numerical instability of the Bofill update method near the saddle point region, we have suggested a simple strategy in which we follow the MEP until certain percentage of the classical barrier height from the barrier top with full Hessians computed and then performing rate constant calculation with the extended MEP using Block Hessians. This strategy results a mean unsigned percentage deviation (MUPD) around 10% with full Hessians computed till the point with 80% classical barrier height for four studied reactions. This proposed strategy is attractive not only it can be implemented as an automatic procedure but also speeds up the VTST/MT calculation via embarrassingly parallelization to a personal computer cluster.

  14. Linewidth calculations and simulations

    CERN Document Server

    Strandberg, Ingrid

    2016-01-01

    We are currently developing a new technique to further enhance the sensitivity of collinear laser spectroscopy in order to study the most exotic nuclides available at radioactive ion beam facilities, such as ISOLDE at CERN. The overall goal is to evaluate the feasibility of the new method. This report will focus on the determination of the expected linewidth (hence resolution) of this approach. Different effects which could lead to a broadening of the linewidth, e.g. the ions' energy spread and their trajectories inside the trap, are studied with theoretical calculations as well as simulations.

  15. Lagrangian geometrical optics of classical vector waves and particles with spin

    Science.gov (United States)

    Ruiz, D. E.; Dodin, I. Y.

    2015-11-01

    Linear vector waves, both quantum and classical, experience polarization-driven bending of ray trajectories and polarization dynamics that can be interpreted as the precession of the ``wave spin.'' In this work, we present a universal Lagrangian theory that describes these effects by extending the geometrical-optics approximation to small but nonvanishing λ / l , where λ is the wavelength, and l is the characteristic inhomogeneity scale (arXiv:1503.07829; arXiv:1503.07819). When applied to classical waves, this theory correctly predicts, for example, the difference between the polarization-driven bending of left- and right-polarized electromagnetic wave rays in isotropic media (arXiv:1507.05863). When applied to quantum waves, the same general theory yields a Lagrangian point-particle model for the Dirac electron, i.e. the relativistic spin-1/2 particle. The model captures both the Bargmann-Michel-Telegdi spin precession theory and the Stern-Gerlach spin-orbital coupling theory. Moreover, we present, for the first time, a calculation of the fully relativistic ponderomotive Hamiltonian for a Dirac electron in a vacuum laser field. This Hamiltonian captures not only the usual relativistic mass shift but also spin effects. This work was supported by the DOE NNSA through contract No. DE274-FG52-08NA28553, by the U.S. DOE through Contract No. DE-AC02-09CH11466, and by DOD NDSEG fellowship through contract No. 32-CFR-168a.

  16. Predicting the Motion of a Robot Manipulator with Unknown Trajectories Based on an Artificial Neural Network

    Directory of Open Access Journals (Sweden)

    Sai Hong Tang

    2014-10-01

    Full Text Available Mathematically, the motion of a robot manipulator can be computed through the integration of kinematics, dynamics, and trajectories calculations. However, the calculations are complex and only can be applied if the configuration of the robot and the characteristics of the joint trajectories are known. This paper introduces the use of artificial neural networks (ANN to overcome these shortcomings by solving nonlinear functions and adapting the characteristics of unknown trajectories. A virtual six-degree-of-freedom (DOF robot manipulator is exploited as an example to show the robustness of the developed ANN topology.

  17. The ESA's Space Trajectory Analysis software suite

    Science.gov (United States)

    Ortega, Guillermo

    The European Space Agency (ESA) initiated in 2005 an internal activity to develop an open source software suite involving university science departments and research institutions all over the world. This project is called the "Space Trajectory Analysis" or STA. This article describes the birth of STA and its present configuration. One of the STA aims is to promote the exchange of technical ideas, and raise knowledge and competence in the areas of applied mathematics, space engineering, and informatics at University level. Conceived as a research and education tool to support the analysis phase of a space mission, STA is able to visualize a wide range of space trajectories. These include among others ascent, re-entry, descent and landing trajectories, orbits around planets and moons, interplanetary trajectories, rendezvous trajectories, etc. The article explains that STA project is an original idea of the Technical Directorate of ESA. It was born in August 2005 to provide a framework in astrodynamics research at University level. As research and education software applicable to Academia, a number of Universities support this development by joining ESA in leading the development. ESA and Universities partnership are expressed in the STA Steering Board. Together with ESA, each University has a chair in the board whose tasks are develop, control, promote, maintain, and expand the software suite. The article describes that STA provides calculations in the fields of spacecraft tracking, attitude analysis, coverage and visibility analysis, orbit determination, position and velocity of solar system bodies, etc. STA implements the concept of "space scenario" composed of Solar system bodies, spacecraft, ground stations, pads, etc. It is able to propagate the orbit of a spacecraft where orbital propagators are included. STA is able to compute communication links between objects of a scenario (coverage, line of sight), and to represent the trajectory computations and

  18. Zeno Paradox for Bohmian Trajectories: The Unfolding of the Metatron

    OpenAIRE

    De Gosson, Maurice,; Hiley, Basil

    2010-01-01

    We analyse the track of an {\\alpha}-particle passing through a cloud chamber using the Bohm theory and show that the resulting classical track has its origins in the quantum Zeno effect. By assuming the ionised gas molecules reveal the positions of the {\\alpha}-particle on its trajectory and using these positions in a short time propagator technique developed by de Gosson, we show it is the failure of the quantum potential to develop quickly enough that leads to the appearance of the classica...

  19. Bohmian Trajectories as the Foundation of Quantum Mechanics

    CERN Document Server

    Goldstein, Sheldon; Zanghi, Nino

    2009-01-01

    Bohmian trajectories have been used for various purposes, including the numerical simulation of the time-dependent Schroedinger equation and the visualization of time-dependent wave functions. We review the purpose they were invented for: to serve as the foundation of quantum mechanics, i.e., to explain quantum mechanics in terms of a theory that is free of paradoxes and allows an understanding that is as clear as that of classical mechanics. Indeed, they succeed in serving that purpose in the context of a theory known as Bohmian mechanics, to which this article is an introduction.

  20. Classical Trace Anomaly

    OpenAIRE

    Farhoudi, M.

    1995-01-01

    We seek an analogy of the mathematical form of the alternative form of Einstein's field equations for Lovelock's field equations. We find that the price for this analogy is to accept the existence of the trace anomaly of the energy-momentum tensor even in classical treatments. As an example, we take this analogy to any generic second order Lagrangian and exactly derive the trace anomaly relation suggested by Duff. This indicates that an intrinsic reason for the existence of such a relation sh...

  1. The classical task

    DEFF Research Database (Denmark)

    Gillis, Steven; Souman, Agnita; Dhollander, Sim

    -year-olds to 9-year-olds. The experiment was also administered with a control group of adults. Procedure: The procedure consists of a classical set-up in which the subjects are shown pictures of objects. On presenting each object, the test leader says: "Here is a X (name of the object)". The next...... articulated: Prediction 1: a global analysis of the plural forms provided by the subjects is expected to show an increase of the correct responses as children grow older. Prediction 2: As to suffix selection, we expect that the plural of nouns selecting a fully predictable suffix will be more readily mastered...

  2. A Classic Through Eternity

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    FIVE years ago, an ancient Chinese air was beamed to outer space as a PR exercise. To humankind, music is a universal language, so the tune seemed an ideal medium for communication with extraterrestrial intelligence. So far there has been no response, but it is believed that the tune will play for a billion years, and eventually be heard and understood. The melody is called High Mountain and Flowing Stream, and it is played on the guqin, a seven-stringed classical musical instrument similar to the zither.

  3. On Classical Ideal Gases

    Directory of Open Access Journals (Sweden)

    Laurent Chusseau

    2013-02-01

    Full Text Available We show that the thermodynamics of ideal gases may be derived solely from the Democritean concept of corpuscles moving in vacuum plus a principle of simplicity, namely that these laws are independent of the laws of motion, aside from the law of energy conservation. Only a single corpuscle in contact with a heat bath submitted to a z and t-invariant force is considered. Most of the end results are known but the method appears to be novel. The mathematics being elementary, the present paper should facilitate the understanding of the ideal gas law and of classical thermodynamics even though not-usually-taught concepts are being introduced.

  4. Classical cytogenetics: karyotyping techniques.

    Science.gov (United States)

    Bates, Steven E

    2011-01-01

    Classical cytogenetics by karyotyping has been utilized in clinical research laboratories for more than 50 years and remains the key method used in the stem cell laboratory to assess the genetic stability of stem cell cultures. It is currently the most readily accessible method for detecting chromosomal abnormalities in pluripotent stem cell cultures. This chapter will describe (1) how to prepare a culture to maximize the number of metaphase cells, (2) how to prepare slides containing chromosome spreads (3) methods used to stain chromosomes, and (4) how to interpret the cytogenetic report.

  5. Mechanics classical and quantum

    CERN Document Server

    Taylor, T T

    2015-01-01

    Mechanics: Classical and Quantum explains the principles of quantum mechanics via the medium of analytical mechanics. The book describes Schrodinger's formulation, the Hamilton-Jacobi equation, and the Lagrangian formulation. The author discusses the Harmonic Oscillator, the generalized coordinates, velocities, as well as the application of the Lagrangian formulation to systems that are partially or entirely electromagnetic in character under certain conditions. The book examines waves on a string under tension, the isothermal cavity radiation, and the Rayleigh-Jeans result pertaining to the e

  6. Trajectory Synthesis for Fisher Information Maximization

    Science.gov (United States)

    Wilson, Andrew D.; Schultz, Jarvis A.; Murphey, Todd D.

    2015-01-01

    Estimation of model parameters in a dynamic system can be significantly improved with the choice of experimental trajectory. For general nonlinear dynamic systems, finding globally “best” trajectories is typically not feasible; however, given an initial estimate of the model parameters and an initial trajectory, we present a continuous-time optimization method that produces a locally optimal trajectory for parameter estimation in the presence of measurement noise. The optimization algorithm is formulated to find system trajectories that improve a norm on the Fisher information matrix (FIM). A double-pendulum cart apparatus is used to numerically and experimentally validate this technique. In simulation, the optimized trajectory increases the minimum eigenvalue of the FIM by three orders of magnitude, compared with the initial trajectory. Experimental results show that this optimized trajectory translates to an order-of-magnitude improvement in the parameter estimate error in practice. PMID:25598763

  7. The Trajectory Synthesizer Generalized Profile Interface

    Science.gov (United States)

    Lee, Alan G.; Bouyssounouse, Xavier; Murphy, James R.

    2010-01-01

    The Trajectory Synthesizer is a software program that generates aircraft predictions for Air Traffic Management decision support tools. The Trajectory Synthesizer being used by researchers at NASA Ames Research Center was restricted in the number of trajectory types that could be generated. This limitation was not sufficient to support the rapidly changing Air Traffic Management research requirements. The Generalized Profile Interface was developed to address this issue. It provides a flexible approach to describe the constraints applied to trajectory generation and may provide a method for interoperability between trajectory generators. It also supports the request and generation of new types of trajectory profiles not possible with the previous interface to the Trajectory Synthesizer. Other enhancements allow the Trajectory Synthesizer to meet the current and future needs of Air Traffic Management research.

  8. Trajectories of Delinquency and Parenting Styles

    NARCIS (Netherlands)

    Hoeve, M.; Blokland, A.; Dubas, J.S.; Loeber, R.; Gerris, J.R.M.; Laan, P.H. van der

    2008-01-01

    We investigated trajectories of adolescent delinquent development using data from the Pittsburgh Youth Study and examined the extent to which these different trajectories are differentially predicted by childhood parenting styles. Based on self-reported and official delinquency seriousness, covering

  9. Trajectories of delinquency and parenting styles

    NARCIS (Netherlands)

    M. Hoeve; A. van Blokland; J.S. Dubas; R Loeber; J.R.M. Gerris; P.H. van der Laan

    2008-01-01

    We investigated trajectories of adolescent delinquent development using data from the Pittsburgh Youth Study and examined the extent to which these different trajectories are differentially predicted by childhood parenting styles. Based on self-reported and official delinquency seriousness, covering

  10. Non-equilibrium statistical field theory for classical particles: Non-linear structure evolution with first-order interaction

    CERN Document Server

    Bartelmann, Matthias; Berg, Daniel; Kozlikin, Elena; Lilow, Robert; Viermann, Celia

    2014-01-01

    We calculate the power spectrum of density fluctuations in the statistical non-equilibrium field theory for classical, microscopic degrees of freedom to first order in the interaction potential. We specialise our result to cosmology by choosing appropriate initial conditions and propagators and show that the non-linear growth of the density power spectrum found in numerical simulations of cosmic structure evolution is reproduced well to redshift zero and for arbitrary wave numbers. The main difference of our approach to ordinary cosmological perturbation theory is that we do not perturb a dynamical equation for the density contrast. Rather, we transport the initial phase-space distribution of a canonical particle ensemble forward in time and extract any collective information from it at the time needed. Since even small perturbations of particle trajectories can lead to large fluctuations in density, our approach allows to reach high density contrast already at first order in the perturbations of the particle...

  11. Probability representation of classical states

    NARCIS (Netherlands)

    Man'ko, OV; Man'ko, [No Value; Pilyavets, OV

    2005-01-01

    Probability representation of classical states described by symplectic tomograms is discussed. Tomographic symbols of classical observables which are functions on phase-space are studied. Explicit form of kernel of commutative star-product of the tomographic symbols is obtained.

  12. Visualizing global properties of a molecular dynamics trajectory.

    Science.gov (United States)

    Zhou, Hao; Li, Shangyang; Makowski, Lee

    2016-01-01

    Molecular dynamics (MD) trajectories are very large data sets that contain substantial information about the dynamic behavior of a protein. Condensing these data into a form that can provide intuitively useful understanding of the molecular behavior during the trajectory is a substantial challenge that has received relatively little attention. Here, we introduce the sigma-r plot, a plot of the standard deviation of intermolecular distances as a function of that distance. This representation of global dynamics contains within a single, one-dimensional plot, the average range of motion between pairs of atoms within a macromolecule. Comparison of sigma-r plots calculated from 10 ns trajectories of proteins representing the four major SCOP fold classes indicates diversity of dynamic behaviors which are recognizably different among the four classes. Differences in domain structure and molecular weight also produce recognizable features in sigma-r plots, reflective of differences in global dynamics. Plots generated from trajectories with progressively increasing simulation time reflect the increased sampling of the structural ensemble as a function of time. Single amino acid replacements can give rise to changes in global dynamics detectable through comparison of sigma-r plots. Dynamic behavior of substructures can be monitored by careful choice of interatomic vectors included in the calculation. These examples provide demonstrations of the utility of the sigma-r plot to provide a simple measure of the global dynamics of a macromolecule.

  13. New Search Space Reduction Algorithm for Vertical Reference Trajectory Optimization

    Directory of Open Access Journals (Sweden)

    Alejandro MURRIETA-MENDOZA

    2016-06-01

    Full Text Available Burning the fuel required to sustain a given flight releases pollution such as carbon dioxide and nitrogen oxides, and the amount of fuel consumed is also a significant expense for airlines. It is desirable to reduce fuel consumption to reduce both pollution and flight costs. To increase fuel savings in a given flight, one option is to compute the most economical vertical reference trajectory (or flight plan. A deterministic algorithm was developed using a numerical aircraft performance model to determine the most economical vertical flight profile considering take-off weight, flight distance, step climb and weather conditions. This algorithm is based on linear interpolations of the performance model using the Lagrange interpolation method. The algorithm downloads the latest available forecast from Environment Canada according to the departure date and flight coordinates, and calculates the optimal trajectory taking into account the effects of wind and temperature. Techniques to avoid unnecessary calculations are implemented to reduce the computation time. The costs of the reference trajectories proposed by the algorithm are compared with the costs of the reference trajectories proposed by a commercial flight management system using the fuel consumption estimated by the FlightSim® simulator made by Presagis®.

  14. Successful Aging: Multiple Trajectories and Population Heterogeneity

    OpenAIRE

    Fengyan Tang

    2014-01-01

    Following Rowe and Kahn¡¯s successful aging model, this study identified successful aging as a distinctive aging trajectory and examined gender differences in the aging process. Using the Health and Retirement Study data (2000-2008), this study applied group-based trajectory analysis to identify multiple aging trajectories in a sample of older Americans aged 65 and over (N=9,226). Six dimensions were analyzed in the multi-trajectory model: chronic disease, physical functional limitation, disa...

  15. Investigation of classical radiation reaction with aligned crystals

    CERN Document Server

    Di Piazza, A; Uggerhøj, Ulrik I

    2015-01-01

    Classical radiation reaction is the effect of the radiation emitted by an accelerated electric charge on the trajectory of the charge itself. The self-consistent underlying classical equation of motion including radiation-reaction effects, the Landau-Lifshitz equation, has never been tested experimentally, in spite of the first theoretical treatments having been developed more than a century ago. Here, we show that classical radiation reaction effects, as predicted by the Landau-Lifshitz equation, can be measured using presently available facilities, in the energy emission spectrum of a parallel $10$-$\\text{GeV}$ electron beam crossing a $1.1$-$\\text{mm}$ thick diamond crystal in the axial channeling regime. Our theoretical results demonstrate the feasibility of the suggested setup, e.g., at the CERN Secondary Beam Areas (SBA) beamlines.

  16. Quantum theory is classical mechanics with non-local existence

    CERN Document Server

    Hegseth, John

    2009-01-01

    I propose a new and direct connection between classical mechanics and quantum mechanics where I derive the quantum mechanical propagator from a variational principle. This variational principle is Hamilton's modified principle generalized to allow many paths due to the non-local existence of particles in phase space. This principle allows a physical system to evolve non-locally in phase space while still allowing a representation that uses many classical paths. Whereas a point in phase space represents a classical system's state, I represent the state of a non-local system by a mixed trajectory. This formulation naturally leads to the transactional interpretation for resolving the paradoxes of the measurement problem. This principle also suggests a more flexible framework for formulating theories based on invariant actions and provides a single conceptual framework for discussing many areas of science.

  17. Airmass Trajectories and Long Range Transport of Pollutants: Review of Wet Deposition Scenario in South Asia

    Directory of Open Access Journals (Sweden)

    Umesh Kulshrestha

    2014-01-01

    Full Text Available This paper presents a review of airmass trajectories and their role in air pollution transport. It describes the concept, history, and basic calculation of air trajectories citing various trajectory models used worldwide. It highlights various areas of trajectory applications and errors associated with trajectory calculations. South Asian region receives airmasses from Europe, Middle East, Africa, and Indian Ocean, and so forth, depending upon the season. These airmasses are responsible for export and import of pollutants depositing in nearby states. Trajectory analysis revealed that soil is contributed by the dust storms coming from Oman through Gulf and Iran, while most of black carbon (BC sources are located in India. A detailed review of trajectories associated with wet deposition events indicated that airmasses coming from Europe and Middle East carry high concentration of acidic pollutants which are deposited in Himalayan ranges. Similarly, trajectory analysis revealed that acidic pollutants from continental anthropogenic sources are transported to an ecosensitive site in Western Ghats in India and the outward fluxes of anthropogenic activities of Indo-Gangetic region are transported towards Bay of Bengal. Hence, transboundary and long range transport of pollutants are very important issues in South Asia which need immediate attention of scientists and policy makers.

  18. Classical theory of atomic collisions - The first hundred years

    Science.gov (United States)

    Grujić, Petar V.

    2012-05-01

    Classical calculations of the atomic processes started in 1911 with famous Rutherford's evaluation of the differential cross section for α particles scattered on foil atoms [1]. The success of these calculations was soon overshadowed by the rise of Quantum Mechanics in 1925 and its triumphal success in describing processes at the atomic and subatomic levels. It was generally recognized that the classical approach should be inadequate and it was neglected until 1953, when the famous paper by Gregory Wannier appeared, in which the threshold law for the single ionization cross section behaviour by electron impact was derived. All later calculations and experimental studies confirmed the law derived by purely classical theory. The next step was taken by Ian Percival and collaborators in 60s, who developed a general classical three-body computer code, which was used by many researchers in evaluating various atomic processes like ionization, excitation, detachment, dissociation, etc. Another approach was pursued by Michal Gryzinski from Warsaw, who started a far reaching programme for treating atomic particles and processes as purely classical objects [2]. Though often criticized for overestimating the domain of the classical theory, results of his group were able to match many experimental data. Belgrade group was pursuing the classical approach using both analytical and numerical calculations, studying a number of atomic collisions, in particular near-threshold processes. Riga group, lead by Modris Gailitis [3], contributed considerably to the field, as it was done by Valentin Ostrovsky and coworkers from Sanct Petersbourg, who developed powerful analytical methods within purely classical mechanics [4]. We shall make an overview of these approaches and show some of the remarkable results, which were subsequently confirmed by semiclassical and quantum mechanical calculations, as well as by the experimental evidence. Finally we discuss the theoretical and

  19. Minimal Exit Trajectories with Optimum Correctional Manoeuvres

    Directory of Open Access Journals (Sweden)

    T. N. Srivastava

    1980-10-01

    Full Text Available Minimal exit trajectories with optimum correctional manoeuvers to a rocket between two coplaner, noncoaxial elliptic orbits in an inverse square gravitational field have been investigated. Case of trajectories with no correctional manoeuvres has been analysed. In the end minimal exit trajectories through specified orbital terminals are discussed and problem of ref. (2 is derived as a particular case.

  20. Quantum chemical calculations using the Floating Point Systems, Inc. Model 164 attached processor

    Energy Technology Data Exchange (ETDEWEB)

    Shepard, R.; Bair, R.A.; Eades, R.A.; Wagner, A.F.; Davis, M.J.; Harding, L.B.; Dunning, T.H. Jr.

    1983-01-01

    The Theoretical Chemistry Group at Argonne National Laboratory has had a Floating Point System, Inc., Model 164 Attached Processor (FPS-164) for several months. Actual production calculations, as well as benchmark calculations, indicate that the FPS-164 is capable of performance comparable to large mainframe computers, the groups experience with the FPS-164 includes the conversion of a complete system of electronic structure codes, including integral evaluation programs, generalized valence bond programs, integral transformation programs, and unitary group configuration interaction programs, and two classical trajectory codes. Timings of these programs at various levels of optimization along with estimates of the amount of effort required to make the necessary program modifications are discussed. 10 references, 2 figures, 2 tables.

  1. Trajectories of low back pain

    DEFF Research Database (Denmark)

    Axén, Iben; Leboeuf-Yde, Charlotte

    2013-01-01

    Low back pain is not a self-limiting problem, but rather a recurrent and sometimes persistent disorder. To understand the course over time, detailed investigation, preferably using repeated measurements over extended periods of time, is needed. New knowledge concerning short-term trajectories...... indicates that the low back pain 'episode' is short lived, at least in the primary care setting, with most patients improving. Nevertheless, in the long term, low back pain often runs a persistent course with around two-thirds of patients estimated to be in pain after 12 months. Some individuals never have...... low back pain, but most have it on and off or persistently. Thus, the low back pain 'condition' is usually a lifelong experience. However, subgroups of patients with different back pain trajectories have been identified and linked to clinical parameters. Further investigation is warranted...

  2. [Oxaliplatin -- A 10-Year Trajectory].

    Science.gov (United States)

    Kanaji, Shingo; Oki, Eiji; Saeki, Hiroshi; Kitao, Hiroyuki; Maehara, Yoshihiko; Kakeji, Yoshihiro

    2016-06-01

    Oxaliplatin(Elplat(®)iv infusion solution)is a third-generation 1,2-DACH-platinum derivative. A number of international clinical trials have investigated the effects of this drug for each of its four indications. Building on the results of these earlier studies, much research has also been carried out in Japan in terms of developing and accumulating evidence on oxaliplatin. This report reviews the trajectory of its use over the last 10-years and considers its future potential.

  3. Interference, reduced action, and trajectories

    OpenAIRE

    2006-01-01

    Instead of investigating the interference between two stationary, rectilinear wave functions in a trajectory representation by examining the two rectilinear wave functions individually, we examine a dichromatic wave function that is synthesized from the two interfering wave functions. The physics of interference is contained in the reduced action for the dichromatic wave function. As this reduced action is a generator of the motion for the dichromatic wave function, it determines the dichroma...

  4. Periodic billiard trajectories in polyhedra

    CERN Document Server

    Bedaride, Nicolas

    2011-01-01

    We consider the billiard map inside a polyhedron. We give a condition for the stability of the periodic trajectories. We apply this result to the case of the tetrahedron. We deduce the existence of an open set of tetrahedra which have a periodic orbit of length four (generalization of Fagnano's orbit for triangles), moreover we can study completly the orbit of points along this coding.

  5. Complex dynamics in diatomic molecules. Part II: Quantum trajectories

    Energy Technology Data Exchange (ETDEWEB)

    Yang, C.-D. [Department of Aeronautics and Astronautics, National Cheng Kung University, Tainan 701, Taiwan (China)], E-mail: cdyang@mail.ncku.edu.tw; Weng, H.-J. [Department of Aeronautics and Astronautics, National Cheng Kung University, Tainan 701, Taiwan (China)], E-mail: principlex@yahoo.com.tw

    2008-10-15

    The second part of this paper deals with quantum trajectories in diatomic molecules, which has not been considered before in the literature. Morse potential serves as a more accurate function than a simple harmonic oscillator for illustrating a realistic picture about the vibration of diatomic molecules. However, if we determine molecular dynamics by integrating the classical force equations derived from a Morse potential, we will find that the resulting trajectories do not consist with the probabilistic prediction of quantum mechanics. On the other hand, the quantum trajectory determined by Bohmian mechanics [Bohm D. A suggested interpretation of the quantum theory in terms of hidden variable. Phys. Rev. 1952;85:166-179] leads to the conclusion that a diatomic molecule is motionless in all its vibrational eigen-states, which also contradicts probabilistic prediction of quantum mechanics. In this paper, we point out that the quantum trajectory of a diatomic molecule completely consistent with quantum mechanics does exist and can be solved from the quantum Hamilton equations of motion derived in Part I, which is based on a complex-space formulation of fractal spacetime [El Naschie MS. A review of E-Infinity theory and the mass spectrum of high energy particle physics. Chaos, Solitons and Fractals 2004;19:209-36; El Naschie MS. E-Infinity theory - some recent results and new interpretations. Chaos, Solitons and Fractals 2006;29:845-853; El Naschie MS. The concepts of E-infinity. An elementary introduction to the cantorian-fractal theory of quantum physics. Chaos, Solitons and Fractals 2004;22:495-511; El Naschie MS. SU(5) grand unification in a transfinite form. Chaos, Solitons and Fractals 2007;32:370-374; Nottale L. Fractal space-time and microphysics: towards a theory of scale relativity. Singapore: World Scientific; 1993; Ord G. Fractal space time and the statistical mechanics of random works. Chaos, Soiltons and Fractals 1996;7:821-843] approach to quantum

  6. Perching aerodynamics and trajectory optimization

    Science.gov (United States)

    Wickenheiser, Adam; Garcia, Ephrahim

    2007-04-01

    Advances in smart materials, actuators, and control architecture have enabled new flight capabilities for aircraft. Perching is one such capability, described as a vertical landing maneuver using in-flight shape reconfiguration in lieu of high thrust generation. A morphing, perching aircraft design is presented that is capable of post stall flight and very slow landing on a vertical platform. A comprehensive model of the aircraft's aerodynamics, with special regard to nonlinear affects such as flow separation and dynamic stall, is discussed. Trajectory optimization using nonlinear programming techniques is employed to show the effects that morphing and nonlinear aerodynamics have on the maneuver. These effects are shown to decrease the initial height and distance required to initiate the maneuver, reduce the bounds on the trajectory, and decrease the required thrust for the maneuver. Perching trajectories comparing morphing versus fixed-configuration and stalled versus un-stalled aircraft are presented. It is demonstrated that a vertical landing is possible in the absence of high thrust if post-stall flight capabilities and vehicle reconfiguration are utilized.

  7. Alternative perturbation approaches in classical mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Amore, Paolo [Facultad de Ciencias, Universidad de Colima, Bernal DIaz del Castillo 340, Colima, Colima (Mexico); Raya, Alfredo [Facultad de Ciencias, Universidad de Colima, Bernal DIaz del Castillo 340, Colima, Colima (Mexico); Fernandez, Francisco M [INIFTA (Conicet, UNLP), Blvd. 113 y 64 S/N, Sucursal 4, Casilla de Correo 16, 1900 La Plata (Argentina)

    2005-11-01

    We discuss two alternative methods, based on the Lindstedt-Poincare technique, for the removal of secular terms from the equations of perturbation theory. We calculate the period of an anharmonic oscillator by means of both approaches and show that one of them is more accurate for all values of the coupling constant. We believe that present discussion and comparison may be a suitable exercise for teaching perturbation theory in advanced undergraduate courses on classical mechanics.

  8. Vibrational coherence and energy transfer in two-dimensional spectra with the optimized mean-trajectory approximation

    Energy Technology Data Exchange (ETDEWEB)

    Alemi, Mallory; Loring, Roger F., E-mail: roger.loring@cornell.edu [Baker Laboratory, Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853 (United States)

    2015-06-07

    The optimized mean-trajectory (OMT) approximation is a semiclassical method for computing vibrational response functions from action-quantized classical trajectories connected by discrete transitions that represent radiation-matter interactions. Here, we extend the OMT to include additional vibrational coherence and energy transfer processes. This generalized approximation is applied to a pair of anharmonic chromophores coupled to a bath. The resulting 2D spectra are shown to reflect coherence transfer between normal modes.

  9. Perspective: Quantum or classical coherence?

    Science.gov (United States)

    Miller, William H

    2012-06-07

    Some coherence effects in chemical dynamics are described correctly by classical mechanics, while others only appear in a quantum treatment--and when these are observed experimentally it is not always immediately obvious whether their origin is classical or quantum. Semiclassical theory provides a systematic way of adding quantum coherence to classical molecular dynamics and thus provides a useful way to distinguish between classical and quantum coherence. Several examples are discussed which illustrate both cases. Particularly interesting is the situation with electronically non-adiabatic processes, where sometimes whether the coherence effects are classical or quantum depends on what specific aspects of the process are observed.

  10. Mechanical Systems, Classical Models

    CERN Document Server

    Teodorescu, Petre P

    2009-01-01

    This third volume completes the Work Mechanical Systems, Classical Models. The first two volumes dealt with particle dynamics and with discrete and continuous mechanical systems. The present volume studies analytical mechanics. Topics like Lagrangian and Hamiltonian mechanics, the Hamilton-Jacobi method, and a study of systems with separate variables are thoroughly discussed. Also included are variational principles and canonical transformations, integral invariants and exterior differential calculus, and particular attention is given to non-holonomic mechanical systems. The author explains in detail all important aspects of the science of mechanics, regarded as a natural science, and shows how they are useful in understanding important natural phenomena and solving problems of interest in applied and engineering sciences. Professor Teodorescu has spent more than fifty years as a Professor of Mechanics at the University of Bucharest and this book relies on the extensive literature on the subject as well as th...

  11. Grassmannization of classical models

    CERN Document Server

    Pollet, Lode; Prokof'ev, Nikolay V; Svistunov, Boris V

    2016-01-01

    Applying Feynman diagrammatics to non-fermionic strongly correlated models with local constraints might seem generically impossible for two separate reasons: (i) the necessity to have a Gaussian (non-interacting) limit on top of which the perturbative diagrammatic expansion is generated by Wick's theorem, and (ii) the Dyson's collapse argument implying that the expansion in powers of coupling constant is divergent. We show that for arbitrary classical lattice models both problems can be solved/circumvented by reformulating the high-temperature expansion (more generally, any discrete representation of the model) in terms of Grassmann integrals. Discrete variables residing on either links, plaquettes, or sites of the lattice are associated with the Grassmann variables in such a way that the partition function (and correlations) of the original system and its Grassmann-field counterpart are identical. The expansion of the latter around its Gaussian point generates Feynman diagrams. A proof-of-principle implement...

  12. Classical and quantum cosmology

    CERN Document Server

    Calcagni, Gianluca

    2017-01-01

    This comprehensive textbook is devoted to classical and quantum cosmology, with particular emphasis on modern approaches to quantum gravity and string theory and on their observational imprint. It covers major challenges in theoretical physics such as the big bang and the cosmological constant problem. An extensive review of standard cosmology, the cosmic microwave background, inflation and dark energy sets the scene for the phenomenological application of all the main quantum-gravity and string-theory models of cosmology. Born of the author's teaching experience and commitment to bridging the gap between cosmologists and theoreticians working beyond the established laws of particle physics and general relativity, this is a unique text where quantum-gravity approaches and string theory are treated on an equal footing. As well as introducing cosmology to undergraduate and graduate students with its pedagogical presentation and the help of 45 solved exercises, this book, which includes an ambitious bibliography...

  13. An efficient and stable hybrid extended Lagrangian/self-consistent field scheme for solving classical mutual induction

    Energy Technology Data Exchange (ETDEWEB)

    Albaugh, Alex [Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720 (United States); Demerdash, Omar [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Head-Gordon, Teresa, E-mail: thg@berkeley.edu [Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720 (United States); Department of Chemistry, University of California, Berkeley, California 94720 (United States); Department of Bioengineering, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, University of California, Berkeley, California 94720 (United States)

    2015-11-07

    We have adapted a hybrid extended Lagrangian self-consistent field (EL/SCF) approach, developed for time reversible Born Oppenheimer molecular dynamics for quantum electronic degrees of freedom, to the problem of classical polarization. In this context, the initial guess for the mutual induction calculation is treated by auxiliary induced dipole variables evolved via a time-reversible velocity Verlet scheme. However, we find numerical instability, which is manifested as an accumulation in the auxiliary velocity variables, that in turn results in an unacceptable increase in the number of SCF cycles to meet even loose convergence tolerances for the real induced dipoles over the course of a 1 ns trajectory of the AMOEBA14 water model. By diagnosing the numerical instability as a problem of resonances that corrupt the dynamics, we introduce a simple thermostating scheme, illustrated using Berendsen weak coupling and Nose-Hoover chain thermostats, applied to the auxiliary dipole velocities. We find that the inertial EL/SCF (iEL/SCF) method provides superior energy conservation with less stringent convergence thresholds and a correspondingly small number of SCF cycles, to reproduce all properties of the polarization model in the NVT and NVE ensembles accurately. Our iEL/SCF approach is a clear improvement over standard SCF approaches to classical mutual induction calculations and would be worth investigating for application to ab initio molecular dynamics as well.

  14. Mobile Information Collectors' Trajectory Data Warehouse Design

    CERN Document Server

    oueslati, wided

    2010-01-01

    To analyze complex phenomena which involve moving objects, Trajectory Data Warehouse (TDW) seems to be an answer for many recent decision problems related to various professions (physicians, commercial representatives, transporters, ecologists ...) concerned with mobility. This work aims to make trajectories as a first class concept in the trajectory data conceptual model and to design a TDW, in which data resulting from mobile information collectors' trajectory are gathered. These data will be analyzed, according to trajectory characteristics, for decision making purposes, such as new products commercialization, new commerce implementation, etc.

  15. Citation classics in epilepsy

    Directory of Open Access Journals (Sweden)

    Maryann Wilson

    2013-01-01

    Full Text Available BACKGROUND: The impact of a scientific article is proportional to the citations it has received. In this study, we set out to identify the most cited works in epileptology in order to evaluate research trends in this field. METHODS: According to the Web of Science database, articles with more than 400 citations qualify as "citation classics". We conducted a literature search on the ISI Web of Science bibliometric database for scientific articles relevant to epilepsy. RESULTS: We retrieved 67 highly cited articles (400 or more citations, which were published in 31 journals: 17 clinical studies, 42 laboratory studies, 5 reviews and 3 classification articles. Clinical studies consisted of epidemiological analyses (n=3, studies on the clinical phenomenology of epilepsy (n=5 – including behavioral and prognostic aspects – and articles focusing on pharmacological (n=6 and non-pharmacological (n=3 treatment. The laboratory studies dealt with genetics (n=6, animal models (n=27, and neurobiology (n=9 – including both neurophysiology and neuropathology studies. The majority (61% of citation classics on epilepsy were published after 1986, possibly reflecting the expansion of research interest in laboratory studies driven by the development of new methodologies, specifically in the fields of genetics and animal models. Consequently, clinical studies were highly cited both before and after the mid 80s, whilst laboratory researches became widely cited after 1990. CONCLUSIONS: Our study indicates that the main drivers of scientific impact in the field of epileptology have increasingly become genetic and neurobiological studies, along with research on animal models of epilepsy. These articles are able to gain the highest numbers of citations in the time span of a few years and suggest potential directions for future research.

  16. Calculation of the transport properties of carbon dioxide. I. Shear viscosity, viscomagnetic effects, and self-diffusion

    Science.gov (United States)

    Bock, Steffen; Bich, Eckard; Vogel, Eckhard; Dickinson, Alan S.; Vesovic, Velisa

    2002-08-01

    Transport properties of pure carbon dioxide have been calculated from the intermolecular potential using the classical trajectory approach. Results are reported for shear viscosity, viscomagnetic coefficients, and self-diffusion in the dilute-gas limit and in the temperature range of 200-1500 K for the three recently proposed carbon dioxide potential energy hypersurfaces. Agreement with the measurements is, in general, within the experimental error. The calculations indicate that the corrections in the second-order approximation and those due to the angular-momentum polarization for the viscosity are small, Bukowski [et al.] potential energy hypersurface (1999) with the experimental viscosity data is consistent with the rigid-rotor assumption made in the calculations being reasonable for the three properties considered.

  17. Path-based Queries on Trajectory Data

    DEFF Research Database (Denmark)

    Krogh, Benjamin Bjerre; Pelekis, Nikos; Theodoridis, Yannis

    2014-01-01

    a specific path by only retrieving data from the first and last edge in the path. To correctly answer strict path queries existing network-constrained trajectory indexes must retrieve data from all edges in the path. An extensive performance study of NETTRA using a very large real-world trajectory data set....... To efficiently support strict path queries, we present a novel NETwork-constrained TRAjectory index (NETTRA). This index enables very efficient retrieval of trajectories that follow a specific path, i.e., strict path queries. NETTRA uses a new path encoding scheme that can determine if a trajectory follows......, consisting of 1.7 million trajectories (941 million GPS records) and a road network with 1.3 million edges, shows a speed-up of two orders of magnitude compared to state-of-the-art trajectory indexes....

  18. Vehicle/trajectory optimization for aerocapture at Mars

    Science.gov (United States)

    Wetzel, Todd A.; Moerder, Daniel D.

    1994-01-01

    This paper considers joint optimization of trajectory and configuration in determining a minimum-mass vehicle for aeroassisted capture of a payload to a specific orbit at Mars. Aerocapture by a vehicle with a blunt aeroshell is assumed, supplemented by either chemical or nuclear thermal rocket impulses within the planet's sphere of influence. Optimal combinations of aeroshell size and exoatmospheric impulses are calculated for a range of entry velocities and constraints on integrated convective heating.

  19. Regge trajectories in {N} = 2 supersymmetric Yang-Mills theory

    Science.gov (United States)

    Córdova, Clay

    2016-09-01

    We demonstrate that {N} = 2 supersymmetric non-Abelian gauge theories have towers of BPS particles obeying a Regge relation, J ˜ m 2, between their angular momenta, J, and their masses, m. For SU( N) Yang-Mills theories, we estimate the slope of these Regge trajectories using a non-relativistic quiver quantum mechanics model. Along the way, we also prove various structure theorems for the quiver moduli spaces that appear in the calculation.

  20. Six-DOF trajectory optimization for reusable launch vehicles via Gauss pseudospectral method

    Institute of Scientific and Technical Information of China (English)

    Zhen Wang; Zhong Wu

    2016-01-01

    To be close to the practical flight process and in-crease the precision of optimal trajectory, a six-degree-of- freedom (6-DOF) trajectory is optimized for the reusable launch vehicle (RLV) using the Gauss pseudospectral method (GPM). Different from the traditional trajectory optimization problem which generaly considers the RLV as a point mass, the coupling between translational dynamics and rotational dynamics is taken into account. An optimization problem is formulated to minimize a performance index subject to 6-DOF equations of motion, including translational and rotational dynamics. A two-step optimal strategy is then introduced to reduce the large calculations caused by multiple variables and convergence confinement in 6-DOF trajectory optimization. The simulation results demonstrate that the 6-DOF trajectory optimal strategy for RLV is feasible.

  1. Declination Calculator

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Declination is calculated using the current International Geomagnetic Reference Field (IGRF) model. Declination is calculated using the current World Magnetic Model...

  2. Quantum-classical correspondence of a field induced KAM-type transition: A QTM approach

    Indian Academy of Sciences (India)

    P K Chattaraj; S Sengupta; S Giri

    2008-01-01

    A transition from regular to chaotic behaviour in the dynamics of a classical Henon-Heiles oscillator in the presence of an external field is shown to have a similar quantum signature when studied using the pertaining phase portraits and the associated Kolmogorov-Sinai-Lyapunov entropies obtained through the corresponding Bohmian trajectories.

  3. Privacy-Preserving Trajectory Collection

    DEFF Research Database (Denmark)

    Gidofalvi, Gyozo; Xuegang, Huang; Pedersen, Torben Bach

    2008-01-01

    In order to provide context--aware Location--Based Services, real location data of mobile users must be collected and analyzed by spatio--temporal data mining methods. However, the data mining methods need precise location data, while the mobile users want to protect their location privacy....... To remedy this situation, this paper first formally defines novel location privacy requirements. Then, it briefly presents a system for privacy--preserving trajectory collection that meets these requirements. The system is composed of an untrusted server and clients communicating in a P2P network. Location...

  4. Mobility, education and life trajectories

    DEFF Research Database (Denmark)

    Olwig, Karen Fog; Valentin, Karen

    2015-01-01

    the perspective that education includes a broad range of formative experiences, the articles explore different educational trajectories and the local, regional and transnational relations in which they are embedded. Three key issues emerge from the analyses: firstly, the central role of temporality in terms...... of both the overall historical conditions and the specific biographical circumstances shaping educational opportunities; secondly, the complex agendas informing individuals’ migration and the adjustment of these agendas in the light of the vagaries of migrant life; and thirdly, the importance of migrants...

  5. Classical Fourier analysis

    CERN Document Server

    Grafakos, Loukas

    2014-01-01

    The main goal of this text is to present the theoretical foundation of the field of Fourier analysis on Euclidean spaces. It covers classical topics such as interpolation, Fourier series, the Fourier transform, maximal functions, singular integrals, and Littlewood–Paley theory. The primary readership is intended to be graduate students in mathematics with the prerequisite including satisfactory completion of courses in real and complex variables. The coverage of topics and exposition style are designed to leave no gaps in understanding and stimulate further study. This third edition includes new Sections 3.5, 4.4, 4.5 as well as a new chapter on “Weighted Inequalities,” which has been moved from GTM 250, 2nd Edition. Appendices I and B.9 are also new to this edition.  Countless corrections and improvements have been made to the material from the second edition. Additions and improvements include: more examples and applications, new and more relevant hints for the existing exercises, new exercises, and...

  6. Extended symmetrical classical electrodynamics.

    Science.gov (United States)

    Fedorov, A V; Kalashnikov, E G

    2008-03-01

    In this paper, we discuss a modification of classical electrodynamics in which "ordinary" point charges are absent. The modified equations contain additional terms describing the induced charges and currents. The densities of the induced charges and currents depend on the vector k and the vectors of the electromagnetic field, E and B . It is shown that the vectors E and B can be defined in terms of two four-potentials and the components of k are the components of a four-tensor of the third rank. The Lagrangian of the modified electrodynamics is defined. The conditions are derived at which only one four-potential determines the behavior of the electromagnetic field. It is also shown that static modified electrodynamics can describe the electromagnetic field in the inner region of an electric monopole. In the outer region of the electric monopole the electric field is governed by the Maxwell equations. It follows from boundary conditions at the interface between the inner and outer regions of the monopole that the vector k has a discrete spectrum. The electric and magnetic fields, energy, and angular momentum of the monopole are found for different eigenvalues of k .

  7. Grassmannization of classical models

    Science.gov (United States)

    Pollet, Lode; Kiselev, Mikhail N.; Prokof'ev, Nikolay V.; Svistunov, Boris V.

    2016-11-01

    Applying Feynman diagrammatics to non-fermionic strongly correlated models with local constraints might seem generically impossible for two separate reasons: (i) the necessity to have a Gaussian (non-interacting) limit on top of which the perturbative diagrammatic expansion is generated by Wick’s theorem, and (ii) Dyson’s collapse argument implying that the expansion in powers of coupling constant is divergent. We show that for arbitrary classical lattice models both problems can be solved/circumvented by reformulating the high-temperature expansion (more generally, any discrete representation of the model) in terms of Grassmann integrals. Discrete variables residing on either links, plaquettes, or sites of the lattice are associated with the Grassmann variables in such a way that the partition function (as well as all correlation functions) of the original system and its Grassmann-field counterpart are identical. The expansion of the latter around its Gaussian point generates Feynman diagrams. Our work paves the way for studying lattice gauge theories by treating bosonic and fermionic degrees of freedom on equal footing.

  8. Time, classical and quantum

    Science.gov (United States)

    Aniello, P.; Ciaglia, F. M.; Di Cosmo, F.; Marmo, G.; Pérez-Pardo, J. M.

    2016-10-01

    We propose a new point of view regarding the problem of time in quantum mechanics, based on the idea of replacing the usual time operator T with a suitable real-valued function T on the space of physical states. The proper characterization of the function T relies on a particular relation with the dynamical evolution of the system rather than with the infinitesimal generator of the dynamics (Hamiltonian). We first consider the case of classical hamiltonian mechanics, where observables are functions on phase space and the tools of differential geometry can be applied. The idea is then extended to the case of the unitary evolution of pure states of finite-level quantum systems by means of the geometric formulation of quantum mechanics. It is found that T is a function on the space of pure states which is not associated with any self-adjoint operator. The link between T and the dynamical evolution is interpreted as defining a simultaneity relation for the states of the system with respect to the dynamical evolution itself. It turns out that different dynamical evolutions lead to different notions of simultaneity, i.e., the notion of simultaneity is a dynamical notion.

  9. Classical competing risks

    CERN Document Server

    Crowder, Martin J

    2001-01-01

    If something can fail, it can often fail in one of several ways and sometimes in more than one way at a time. There is always some cause of failure, and almost always, more than one possible cause. In one sense, then, survival analysis is a lost cause. The methods of Competing Risks have often been neglected in the survival analysis literature. Written by a leading statistician, Classical Competing Risks thoroughly examines the probability framework and statistical analysis of data of Competing Risks. The author explores both the theory of the subject and the practicalities of fitting the models to data. In a coherent, self-contained, and sequential account, the treatment moves from the bare bones of the Competing Risks setup and the associated likelihood functions through survival analysis using hazard functions. It examines discrete failure times and the difficulties of identifiability, and concludes with an introduction to the counting-process approach and the associated martingale theory.With a dearth of ...

  10. Classics in radio astronomy

    CERN Document Server

    Sullivan, Woodruff Turner

    1982-01-01

    Radio techniques were the nrst to lead astronomy away from the quiescent and limited Universe revealed by traditional observations at optical wave­ lengths. In the earliest days of radio astronomy, a handful of radio physicists and engineers made one startling discovery after another as they opened up the radio sky. With this collection of classic papers and the extensive intro­ ductory material, the reader can experience these exciting discoveries, as well as understand the developing techniques and follow the motivations which prompted the various lines of inquiry. For instance he or she will follow in detail the several attempts to detect radio waves from the sun at the turn of the century; the unravelling by Jansky of a "steady hiss type static"; the incredible story of Reber who built a 9 meter dish in his backyard in 1937 and then mapped the Milky Way; the vital discoveries by Hey and colleagues of radio bursts from the Sun and of a discrete source in the constellation of Cygnus; the development of re...

  11. Semi-Classical Wavefunction Perspective to High-Harmonic Generation

    CERN Document Server

    Mauger, Francois; Lopata, Kenneth; Schafer, Kenneth J; Gaarde, Mette B

    2015-01-01

    We introduce a semi-classical wavefunction (SCWF) model for strong-field physics and attosecond science. When applied to high harmonic generation (HHG), this formalism allows one to show that the natural time-domain separation of the contribution of ionization, propagation and recollisions to the HHG process leads to a frequency-domain factorization of the harmonic yield into these same contributions, for any choice of atomic or molecular potential. We first derive the factorization from the natural expression of the dipole signal in the temporal domain by using a reference system, as in the quantitative rescattering (QRS) formalism [J. Phys. B. 43, 122001 (2010)]. Alternatively, we show how the trajectory component of the SCWF can be used to express the factorization, which also allows one to attribute individual contributions to the spectrum to the underlying trajectories.

  12. Bohmian mechanics with complex action: a new trajectory-based formulation of quantum mechanics.

    Science.gov (United States)

    Goldfarb, Yair; Degani, Ilan; Tannor, David J

    2006-12-21

    In recent years there has been a resurgence of interest in Bohmian mechanics as a numerical tool because of its local dynamics, which suggest the possibility of significant computational advantages for the simulation of large quantum systems. However, closer inspection of the Bohmian formulation reveals that the nonlocality of quantum mechanics has not disappeared-it has simply been swept under the rug into the quantum force. In this paper we present a new formulation of Bohmian mechanics in which the quantum action, S, is taken to be complex. This leads to a single equation for complex S, and ultimately complex x and p but there is a reward for this complexification-a significantly higher degree of localization. The quantum force in the new approach vanishes for Gaussian wave packet dynamics, and its effect on barrier tunneling processes is orders of magnitude lower than that of the classical force. In fact, the current method is shown to be a rigorous extension of generalized Gaussian wave packet dynamics to give exact quantum mechanics. We demonstrate tunneling probabilities that are in virtually perfect agreement with the exact quantum mechanics down to 10(-7) calculated from strictly localized quantum trajectories that do not communicate with their neighbors. The new formulation may have significant implications for fundamental quantum mechanics, ranging from the interpretation of non-locality to measures of quantum complexity.

  13. Fisher Information of Wavefunctions: Classical and Quantum

    Institute of Scientific and Technical Information of China (English)

    LUO Shun-Long

    2006-01-01

    A parametric quantum mechanical wavefunction naturally induces parametric probability distributions by taking absolute square, and we can consider its classical Fisher information. On the other hand, it also induces parametric rank-one projections which may be viewed as density operators, and we can talk about its quantum Fisher information. Among many versions of quantum Fisher information, there are two prominent ones. The first,deiined via a quantum score function, was introduced by Helstrom in 1967 and is well known. The second,defined via the square root of the density operator, has its origin in the skew information introduced by Wigner and Yanase in 1963 and remains relatively unnoticed. This study is devoted to investigating the relationships between the classical Fisher information and these two versions of quantum Fisher information for wavefunctions.It is shown that the two versions of quantum Fisher information differ by a factor 2 and that they dominate the classical Fisher information. The non-coincidence of these two versions of quantum Fisher information may be interpreted as a manifestation of quantum discord. We further calculate the difference between the Helstrom quantum Fisher information and the classical Fisher information, and show that it is precisely the instantaneous phase fluctuation of the wavefunctions.

  14. Lane changing trajectory planning and tracking control for intelligent vehicle on curved road.

    Science.gov (United States)

    Wang, Lukun; Zhao, Xiaoying; Su, Hao; Tang, Gongyou

    2016-01-01

    This paper explores lane changing trajectory planning and tracking control for intelligent vehicle on curved road. A novel arcs trajectory is planned for the desired lane changing trajectory. A kinematic controller and a dynamics controller are designed to implement the trajectory tracking control. Firstly, the kinematic model and dynamics model of intelligent vehicle with non-holonomic constraint are established. Secondly, two constraints of lane changing on curved road in practice (LCCP) are proposed. Thirdly, two arcs with same curvature are constructed for the desired lane changing trajectory. According to the geometrical characteristics of arcs trajectory, equations of desired state can be calculated. Finally, the backstepping method is employed to design a kinematic trajectory tracking controller. Then the sliding-mode dynamics controller is designed to ensure that the motion of the intelligent vehicle can follow the desired velocity generated by kinematic controller. The stability of control system is proved by Lyapunov theory. Computer simulation demonstrates that the desired arcs trajectory and state curves with B-spline optimization can meet the requirements of LCCP constraints and the proposed control schemes can make tracking errors to converge uniformly.

  15. The classic: Bone morphogenetic protein.

    Science.gov (United States)

    Urist, Marshall R; Strates, Basil S

    2009-12-01

    This Classic Article is a reprint of the original work by Marshall R. Urist and Basil S. Strates, Bone Morphogenetic Protein. An accompanying biographical sketch of Marshall R. Urist, MD is available at DOI 10.1007/s11999-009-1067-4; a second Classic Article is available at DOI 10.1007/s11999-009-1069-2; and a third Classic Article is available at DOI 10.1007/s11999-009-1070-9. The Classic Article is copyright 1971 by Sage Publications Inc. Journals and is reprinted with permission from Urist MR, Strates BS. Bone morphogenetic protein. J Dent Res. 1971;50:1392-1406.

  16. Debt trajectories and mental health.

    Science.gov (United States)

    Hojman, Daniel A; Miranda, Álvaro; Ruiz-Tagle, Jaime

    2016-10-01

    In the last few decades, there was a marked increase in consumer debt in the United States, Latin America and other emerging countries, spurring a debate about the real costs and benefits of household credit. Using a unique longitudinal dataset with detailed health and balance sheet information from a large sample of 10,900 Chilean households we study the relationship between debt trajectories in a three-year time window and mental health. We find that depressive symptoms are higher for those who have been persistently over-indebted, followed by those who transit from moderate to high debt levels. We also find that those who transition from over-indebtedness to moderate debt levels have no additional depressive symptoms compared to those with trajectories of moderate debt throughout (never over-indebted). This suggests that the debt-related contribution to depressive symptoms vanishes as debt levels fall. The association between debt and depressive symptoms seems to be driven by non-mortgage debt -primarily consumer credit- or late mortgage payments; secured debt (secured by collateral) per se is not associated with depressive symptoms. Policy interventions to reduce the negative association of over-indebtedness on mental health are discussed.

  17. Trajectory Codes for Flash Memory

    CERN Document Server

    Anxiao,; Langberg, Michael; Schwartz, Moshe; Bruck, Jehoshua

    2010-01-01

    Flash memory is well-known for its inherent asymmetry: the flash-cell charge levels are easy to increase but are hard to decrease. In a general rewriting model, the stored data changes its value with certain patterns. The patterns of data updates are determined by the data structure and the application, and are independent of the constraints imposed by the storage medium. Thus, an appropriate coding scheme is needed so that the data changes can be updated and stored efficiently under the storage-medium's constraints. In this paper, we define the general rewriting problem using a graph model. It extends many known rewriting models such as floating codes, WOM codes, buffer codes, etc. We present a new rewriting scheme for flash memories, called the trajectory code, for rewriting the stored data as many times as possible without block erasures. We prove that the trajectory code is asymptotically optimal in a wide range of scenarios. We also present randomized rewriting codes optimized for expected performance (g...

  18. Innovation: the classic traps.

    Science.gov (United States)

    Kanter, Rosabeth Moss

    2006-11-01

    Never a fad, but always in or out of fashion, innovation gets rediscovered as a growth enabler every half dozen years. Too often, though, grand declarations about innovation are followed by mediocre execution that produces anemic results, and innovation groups are quietly disbanded in cost-cutting drives. Each managerial generation embarks on the same enthusiastic quest for the next new thing. And each generation faces the same vexing challenges- most of which stem from the tensions between protecting existing revenue streams critical to current success and supporting new concepts that may be crucial to future success. In this article, Harvard Business School professor Rosabeth Moss Kanter reflects on the four major waves of innovation enthusiasm she's observed over the past 25 years. She describes the classic mistakes companies make in innovation strategy, process, structure, and skills assessment, illustrating her points with a plethora of real-world examples--including AT&T Worldnet, Timberland, and Ocean Spray. A typical strategic blunder is when managers set their hurdles too high or limit the scope of their innovation efforts. Quaker Oats, for instance, was so busy in the 1990s making minor tweaks to its product formulas that it missed larger opportunities in distribution. A common process mistake is when managers strangle innovation efforts with the same rigid planning, budgeting, and reviewing approaches they use in their existing businesses--thereby discouraging people from adapting as circumstances warrant. Companies must be careful how they structure fledgling entities alongside existing ones, Kanter says, to avoid a clash of cultures and agendas--which Arrow Electronics experienced in its attempts to create an online venture. Finally, companies commonly undervalue and underinvest in the human side of innovation--for instance, promoting individuals out of innovation teams long before their efforts can pay off. Kanter offers practical advice for avoiding

  19. Winding light beams along elliptical helical trajectories

    CERN Document Server

    Wen, Yuanhui; Zhang, Yanfeng; Chen, Hui; Yu, Siyuan

    2016-01-01

    Conventional caustic methods in real or Fourier space produced accelerating optical beams only with convex trajectories. We develop a superposition caustic method capable of winding light beams along non-convex trajectories. We ascertain this method by constructing a one-dimensional (1D) accelerating beam moving along a sinusoidal trajectory, and subsequently extending to two-dimensional (2D) accelerating beams along arbitrarily elliptical helical trajectories. We experimentally implement the method with a compact and robust integrated optics approach by fabricating micro-optical structures on quartz glass plates to perform the spatial phase and amplitude modulation to the incident light, generating beam trajectories highly consistent with prediction. The theoretical and implementation methods can in principle be extended to the construction of accelerating beams with a wide variety of non-convex trajectories, thereby opening up a new route of manipulating light beams for fundamental research and practical ap...

  20. Stochastic and fractal analysis of fracture trajectories

    Science.gov (United States)

    Bessendorf, Michael H.

    1987-01-01

    Analyses of fracture trajectories are used to investigate structures that fall between 'micro' and 'macro' scales. It was shown that fracture trajectories belong to the class of nonstationary processes. It was also found that correlation distance, which may be related to a characteristic size of a fracture process, increases with crack length. An assemblage of crack trajectory processes may be considered as a diffusive process. Chudnovsky (1981-1985) introduced a 'crack diffusion coefficient' d which reflects the ability of the material to deviate the crack trajectory from the most energetically efficient path and thus links the material toughness to its structure. For the set of fracture trajectories in AISI 304 steel, d was found to be equal to 1.04 microns. The fractal dimension D for the same set of trajectories was found to be 1.133.

  1. Influence of Pedestrian Trajectories on School Children Exposure to PM10

    OpenAIRE

    João Garcia; Rita Cerdeira; Luís Coelho; Prashant Kumar; Maria da Graça Carvalho

    2014-01-01

    Three pedestrian trajectories are considered to study the influence of PM10 concentrations on children exposure, in a high-traffic street canyon. Two types of exposure were calculated: daily exposure for each wind condition and cumulative annual exposure considering all wind conditions. FLUENT was used to simulate the flow, turbulence, and PM10 dispersion in the street canyon. Our results indicate that exposure is influenced by the chosen walking trajectory and wind direction. When considerin...

  2. Electron trajectories in free electron laser with realizable helical wiggler and ion channel guiding

    Directory of Open Access Journals (Sweden)

    S. Ebrahimi

    2004-12-01

    Full Text Available   A detailed analysis of electron trajectories in a realizable helical wiggler free electron laser with ion channel guiding using electron (single particle dynamics is presented. Conditions for stability of electron orbit have been investigated, calculations are made to illustrate. Conclusion shows that there are differences stable (unstable condition(s electron trajectories between ideal helical wiggler(2D and realizable helical wiggler (3D.

  3. Inductance Calculations of Variable Pitch Helical Inductors

    Science.gov (United States)

    2015-08-01

    current. Using the classical skin depth definition , we can adjust the effec- tive diameters used to calculate the inductances. The classical skin depth can...are not. The definition of classical skin depth is an approximation that assumes that all the cmrent is flowing evenly within the region encompassed...inductance can be applied to other more complex forms of geometry, including tapered coils, by simply using the more general forms of the self- and

  4. Methods of scientific calculation applied to classic and quantum description of the vibrational dynamics of chaotic systems. Application to the HO2 system; Metodos de calculo cientifico aplicados a la caracterizacion clasica y cuantica de la dinamica vibracional de sistemas caoticas. Aplicacion al sistema molecular HO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez Giralda, C.

    2005-07-01

    The main objective of this thesis is to search for points of correspondence between the classic and quantum behavior of the dynamics of non-rigid molecular system HO2 (Hidroperoxil Radix), and too, the study of the manifestation mode as the regularity than the ergodicity from the point of view of the classical and quantum mechanics laws. (Author)

  5. Global aspects of classical integrable systems

    CERN Document Server

    Cushman, Richard H

    2015-01-01

    This book gives a uniquely complete description of the geometry of the energy momentum mapping of five classical integrable systems: the 2-dimensional harmonic oscillator, the geodesic flow on the 3-sphere, the Euler top, the spherical pendulum and the Lagrange top. It presents for the first time in book form a general theory of symmetry reduction which allows one to reduce the symmetries in the spherical pendulum and the Lagrange top. Also the monodromy obstruction to the existence of global action angle coordinates is calculated for the spherical pendulum and the Lagrange top. The book addresses professional mathematicians and graduate students and can be used as a textbook on advanced classical mechanics or global analysis.

  6. Quantum algorithmic integrability: The metaphor of classical polygonal billiards

    Science.gov (United States)

    Mantica, Giorgio

    2000-06-01

    We study the algorithmic complexity of motions in classical polygonal billiards, which, as the number of sides increases, tend to curved billiards, both regular and chaotic. This study unveils the equivalence of this problem to the procedure of quantization: the average complexity of symbolic trajectories in polygonal billiards features the same scaling relations (with respect to the number of sides) that govern quantum systems when a semiclassical parameter is varied. Two cases, the polygonal approximations of the circle and of the stadium, are examined in detail and are presented as paradigms of quantization of integrable and chaotic systems.

  7. Operator Formulation of Classical Mechanics.

    Science.gov (United States)

    Cohn, Jack

    1980-01-01

    Discusses the construction of an operator formulation of classical mechanics which is directly concerned with wave packets in configuration space and is more similar to that of convential quantum theory than other extant operator formulations of classical mechanics. (Author/HM)

  8. Dynamical Symmetries in Classical Mechanics

    Science.gov (United States)

    Boozer, A. D.

    2012-01-01

    We show how symmetries of a classical dynamical system can be described in terms of operators that act on the state space for the system. We illustrate our results by considering a number of possible symmetries that a classical dynamical system might have, and for each symmetry we give examples of dynamical systems that do and do not possess that…

  9. Teaching and Demonstrating Classical Conditioning.

    Science.gov (United States)

    Sparrow, John; Fernald, Peter

    1989-01-01

    Discusses classroom demonstrations of classical conditioning and notes tendencies to misrepresent Pavlov's procedures. Describes the design and construction of the conditioner that is used for demonstrating classical conditioning. Relates how students experience conditioning, generalization, extinction, discrimination, and spontaneous recovery.…

  10. Classic writings on instructional technology

    NARCIS (Netherlands)

    Ely, Donald P.; Plomp, Tjeerd

    1996-01-01

    This paper describes the selection process of 17 articles for inclusion in the book, "Classic Writings on Instructional Technology." The book brings together original "classic" educational technology articles into one volume to document the history of the field through its literature. It is also an

  11. COMPETITION: CLASSICAL VERSUS NEOCLASSICAL VIEW

    OpenAIRE

    Mihaela Cornelia Sandu

    2013-01-01

    Competition is an important element from economical theory. Over time it has experienced several definitions and classifications much of them being contradictory. In this paper I will make a parallel between classical and neoclassical point of view according to competition. Keywords. Competition; neoclassical theory; classical theory; monopolistic; perfect competition.

  12. Classic African American Children's Literature

    Science.gov (United States)

    McNair, Jonda C.

    2010-01-01

    The purpose of this article is to assert that there are classic African American children's books and to identify a sampling of them. The author presents multiple definitions of the term classic based on the responses of children's literature experts and relevant scholarship. Next, the manner in which data were collected and analyzed in regard to…

  13. Classical Music Fan Chen Li

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The heyday of Beijing’s classical music beganin 1993, when top-quality sound equipment andrecords were imported. Also in that year, BeijingMusic Radio presented a classical music programtitled "Fan’s Club" and founded the "Music and

  14. Quantum versus classical descriptions of sub-Poissonian light generation in three-wave mixing

    CERN Document Server

    Bajer, J; Bajer, Jiri; Miranowicz, Adam

    2001-01-01

    Sub-Poissonian light generation in the non-degenerate three-wave mixing is studied numerically and analytically within quantum and classical approaches. Husimi Q-functions and their classical trajectory simulations are analysed to reveal a special regime corresponding to the time-stable sub-Poissonian photocount statistics of the sum-frequency mode. Conditions for observation of this regime are discussed. Theoretical predictions of the Fano factor and explanation of the extraordinary stabilization of the sub-Poissonian photocount behavior are obtained analytically by applying the classical trajectories. Scaling laws for the maximum sub-Poissonian behavior are found. Noise suppression levels in the non-degenerate vs degenerate three-wave mixing are discussed on different time scales compared to the revival times. It is shown that the non-degenerate conversion offers much better stabilization of the suppressed noise in comparison to that of degenerate process.

  15. Classical dynamics a modern perspective

    CERN Document Server

    Sudarshan, Ennackal Chandy George

    2016-01-01

    Classical dynamics is traditionally treated as an early stage in the development of physics, a stage that has long been superseded by more ambitious theories. Here, in this book, classical dynamics is treated as a subject on its own as well as a research frontier. Incorporating insights gained over the past several decades, the essential principles of classical dynamics are presented, while demonstrating that a number of key results originally considered only in the context of quantum theory and particle physics, have their foundations in classical dynamics.Graduate students in physics and practicing physicists will welcome the present approach to classical dynamics that encompasses systems of particles, free and interacting fields, and coupled systems. Lie groups and Lie algebras are incorporated at a basic level and are used in describing space-time symmetry groups. There is an extensive discussion on constrained systems, Dirac brackets and their geometrical interpretation. The Lie-algebraic description of ...

  16. Entry Into a Care Trajectory

    Directory of Open Access Journals (Sweden)

    Normand Carpentier

    2013-06-01

    Full Text Available A broad range of services are developing in response to the needs of an aging population. Although most interventions are carried out in the patient’s living environment—at the heart of society—few studies on service utilization refer to social theory. This paper suggests that studies on older people with chronic health conditions would benefit from a stronger theoretical foundation. Drawing on 15 in-depth interviews, it highlights the relevance of individualization processes and the network society, 2 central theoretical concerns in sociology. The research provides a unique perspective on the entry into the care trajectory and expands our comprehension of the emergence of a social organization that can respond to the needs of elderly patients. Data of this nature may be useful in service planning and the development of a care-centered approach.

  17. A comparison of HYSPLIT backward trajectories generated from two GDAS datasets.

    Science.gov (United States)

    Su, Lin; Yuan, Zibing; Fung, Jimmy C H; Lau, Alexis K H

    2015-02-15

    The Hybrid Single-Particle Lagrangian Integrated Trajectory (HYSPLIT) model is widely used to generate backward trajectories in given starting locations. However, differences exist between trajectories generated from the model with different input datasets. In this study, backward trajectories in Hong Kong in the entire year of 2011 are derived by HYSPLIT model. Two sets of Global Data Assimilation System (GDAS) output data associated with different horizontal and vertical resolutions (GDAS1 and GDAS0P5) are used as drivers in an attempt to quantify the differences between the results and discover the underlying reasons responsible for discrepancy. The results reveal that the significant differences between back trajectories generated from the two GDAS datasets can be mainly attributed to different vertical velocity calculation methods due to the absence of vertical velocity in GDAS0P5 dataset. The HYSPLIT trajectories are also sensitive to the horizontal and vertical resolutions of the input meteorological data, but to lesser extents. Results of cluster analysis indicate that when the air mass is from the north, northeast, or west with a long-to-medium range, the HYSPLIT backward trajectories are sensitive to the vertical advection calculation method and data resolution, whereas when the air mass is from the south or southwest with a long range, the trajectories are more likely to remain unchanged with the shifting of vertical velocity or data resolution. By comparing the vertical velocities with the observations and the performance in retrieving PM contributions from different directions, we conclude that GDAS1 dataset is more plausible in backward trajectory analysis in the Pearl River Delta.

  18. Analysing a complementarity experiment on the quantum-classical boundary

    CERN Document Server

    Terra-Cunha, M O

    2002-01-01

    The complementarity experiment reported in Bertet [{\\it{et al.}} (2001), {\\it{Nature}} {\\bf{411}}, 166.] is discussed. The role played by entanglement in reaching the classical limit is pointed out. Dissipative and thermal effects of the cavity are calculated and a simple modification of the experiment is proposed in order to observe the progressive loss of the capacity of ``quantum erasing''as a manifestation of the classical limit of quantum mechanics.

  19. Bohmian quantum mechanical and classical Lyapunov exponents for kicked rotor

    Energy Technology Data Exchange (ETDEWEB)

    Zheng Yindong [Department of Physics, University of North Texas, Denton, TX 76203-1427 (United States); Kobe, Donald H. [Department of Physics, University of North Texas, Denton, TX 76203-1427 (United States)], E-mail: kobe@unt.edu

    2008-04-15

    Using de Broglie-Bohm approach to quantum theory, we show that the kicked rotor at quantum resonance exhibits quantum chaos for the control parameter K above a threshold. Lyapunov exponents are calculated from the method of Benettin et al. for bounded systems for both the quantum and classical kicked rotor. In the chaotic regime we find stability regions for control parameters equal to even and odd multiples of {pi}, but the quantum regions are only remnants of the classical ones.

  20. Plastic anisotropy and dislocation trajectory in BCC metals

    Science.gov (United States)

    Dezerald, Lucile; Rodney, David; Clouet, Emmanuel; Ventelon, Lisa; Willaime, François

    2016-05-01

    Plasticity in body-centred cubic (BCC) metals at low temperatures is atypical, marked in particular by an anisotropic elastic limit in clear violation of the famous Schmid law applicable to most other metals. This effect is known to originate from the behaviour of the screw dislocations; however, the underlying physics has so far remained insufficiently understood to predict plastic anisotropy without adjustable parameters. Here we show that deviations from the Schmid law can be quantified from the deviations of the screw dislocation trajectory away from a straight path between equilibrium configurations, a consequence of the asymmetrical and metal-dependent potential energy landscape of the dislocation. We propose a modified parameter-free Schmid law, based on a projection of the applied stress on the curved trajectory, which compares well with experimental variations and first-principles calculations of the dislocation Peierls stress as a function of crystal orientation.

  1. A Classical Trajectory Study of the Dissociation and Isomerization of C2H5

    Science.gov (United States)

    2013-01-01

    combustion properties as laminar flame speeds, induction times, and flammability, extinction , and ignition limits.1,2 Because of its importance in combustion...photoionized and subsequently detected by mass spectroscopy. Recently, Steinbauer et al.11 confirmed the existence of both a unimolecular and direct...q) determines the imaginary frequency at the saddle point. S′(q) was given more flexibility to set this frequency by making it a sixth order

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

    Science.gov (United States)

    Wang, Xiaohong; Bowman, Joel M

    2013-02-12

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

  3. MEMS Calculator

    Science.gov (United States)

    SRD 166 MEMS Calculator (Web, free access)   This MEMS Calculator determines the following thin film properties from data taken with an optical interferometer or comparable instrument: a) residual strain from fixed-fixed beams, b) strain gradient from cantilevers, c) step heights or thicknesses from step-height test structures, and d) in-plane lengths or deflections. Then, residual stress and stress gradient calculations can be made after an optical vibrometer or comparable instrument is used to obtain Young's modulus from resonating cantilevers or fixed-fixed beams. In addition, wafer bond strength is determined from micro-chevron test structures using a material test machine.

  4. Efficient Spatial Keyword Search in Trajectory Databases

    CERN Document Server

    Cong, Gao; Ooi, Beng Chin; Zhang, Dongxiang; Zhang, Meihui

    2012-01-01

    An increasing amount of trajectory data is being annotated with text descriptions to better capture the semantics associated with locations. The fusion of spatial locations and text descriptions in trajectories engenders a new type of top-$k$ queries that take into account both aspects. Each trajectory in consideration consists of a sequence of geo-spatial locations associated with text descriptions. Given a user location $\\lambda$ and a keyword set $\\psi$, a top-$k$ query returns $k$ trajectories whose text descriptions cover the keywords $\\psi$ and that have the shortest match distance. To the best of our knowledge, previous research on querying trajectory databases has focused on trajectory data without any text description, and no existing work has studied such kind of top-$k$ queries on trajectories. This paper proposes one novel method for efficiently computing top-$k$ trajectories. The method is developed based on a new hybrid index, cell-keyword conscious B$^+$-tree, denoted by \\cellbtree, which enabl...

  5. A Framework for Context-aware Trajectory

    NARCIS (Netherlands)

    Bogorny, V.; Wachowicz, M.

    2009-01-01

    The recent advances in technologies for mobile devices, like GPS and mobile phones, are generating large amounts of a new kind of data: trajectories of moving objects. These data are normally available as sample points, with very little or no semantics. Trajectory data can be used in a variety of ap

  6. Simulation of Airplane and Rocket Trajectories

    Science.gov (United States)

    Wahbah, Magdy M.; Berning, Michael J.; Choy, Tony S.

    1987-01-01

    Simulation and Optimization of Rocket Trajectories program (SORT) contains comprehensive mathematical models for simulating aircraft dynamics, freely falling objects, and many types of ballistic trajectories. Provides high-fidelity, three-degrees-of-freedom simulation for atmospheric and exoatmospheric flight. It numerically models vehicle subsystems and vehicle environment. Used for wide range of simulations. Written in machine-independent FORTRAN 77.

  7. Soccer Ball Lift Coefficients via Trajectory Analysis

    Science.gov (United States)

    Goff, John Eric; Carre, Matt J.

    2010-01-01

    We performed experiments in which a soccer ball was launched from a machine while two high-speed cameras recorded portions of the trajectory. Using the trajectory data and published drag coefficients, we extracted lift coefficients for a soccer ball. We determined lift coefficients for a wide range of spin parameters, including several spin…

  8. Trajectories of Intimate Partner Violence Victimization

    Directory of Open Access Journals (Sweden)

    Kevin M. Swartout

    2012-08-01

    Full Text Available Introduction: The purposes of this study were to assess the extent to which latent trajectories of female intimate partner violence (IPV victimization exist; and, if so, use negative childhood experiences to predict trajectory membership.Methods: We collected data from 1,575 women at 5 time-points regarding experiences during adolescence and their 4 years of college. We used latent class growth analysis to fit a series of personcentered, longitudinal models ranging from 1 to 5 trajectories. Once the best-fitting model was selected, we used negative childhood experience variables—sexual abuse, physical abuse, and witnessing domestic violence—to predict most-likely trajectory membership via multinomial logistic regression.Results: A 5-trajectory model best fit the data both statistically and in terms of interpretability. The trajectories across time were interpreted as low or no IPV, low to moderate IPV, moderate to low IPV, high to moderate IPV, and high and increasing IPV, respectively. Negative childhood experiences differentiated trajectory membership, somewhat, with childhood sexual abuse as a consistent predictor of membership in elevated IPV trajectories.Conclusion: Our analyses show how IPV risk changes over time and in different ways. These differential patterns of IPV suggest the need for prevention strategies tailored for women that consider victimization experiences in childhood and early adulthood. [West J Emerg Med. 2012;13(3:272–277.

  9. Trajectories of Delinquency and Parenting Styles

    Science.gov (United States)

    Hoeve, Machteld; Blokland, Arjan; Dubas, Judith Semon; Loeber, Rolf; Gerris, Jan R. M.; van der Laan, Peter H.

    2008-01-01

    We investigated trajectories of adolescent delinquent development using data from the Pittsburgh Youth Study and examined the extent to which these different trajectories are differentially predicted by childhood parenting styles. Based on self-reported and official delinquency seriousness, covering ages 10-19, we identified five distinct…

  10. Estimation of motility parameters from trajectory data

    DEFF Research Database (Denmark)

    Vestergaard, Christian L.; Pedersen, Jonas Nyvold; Mortensen, Kim I.;

    2015-01-01

    Given a theoretical model for a self-propelled particle or micro-organism, how does one optimally determine the parameters of the model from experimental data in the form of a time-lapse recorded trajectory? For very long trajectories, one has very good statistics, and optimality may matter little...... to which similar results may be obtained also for self-propelled particles....

  11. Comment on "The envelope of projectile trajectories"

    CERN Document Server

    Butikov, E I

    2003-01-01

    Several simple alternative methods to obtain the equation of the envelope of the family of projectile trajectories corresponding to the same initial speed are suggested, including methods in which the boundary of the region occupied by the parabolic trajectories is found as an envelope of a set of circles. Two possible generalizations of the discussed problem are also suggested. (letters and comments)

  12. Trajectories of CBCL Attention Problems in childhood

    NARCIS (Netherlands)

    S.C.C. Robbers (Sylvana); F.V.A. van Oort (Floor); T.J.C. Polderman (Tinca); M. Bartels (Meike); D.I. Boomsma (Dorret); F.C. Verhulst (Frank); G.H. Lubke (Gitta); A.C. Huizink (Anja)

    2011-01-01

    textabstractThe first aim of this study was to identify developmental trajectories of Attention Problems in twins followed from age 6 to 12 years. Second, we investigated whether singletons follow similar trajectories. Maternal longitudinal ratings on the Attention Problems (AP) subscale of the Chil

  13. Classical Knowledge for Quantum Security

    CERN Document Server

    D'Hondt, Ellie

    2008-01-01

    We propose a decision procedure for analysing security of quantum cryptographic protocols, combining a classical algebraic rewrite system for knowledge with an operational semantics for quantum distributed computing. As a test case, we use our procedure to reason about security properties of a recently developed quantum secret sharing protocol that uses graph states. We analyze three different scenarios based on the safety assumptions of the classical and quantum channels and discover the path of an attack in the presence of an adversary. The epistemic analysis that leads to this and similar types of attacks is purely based on our classical notion of knowledge.

  14. Quantum localization of Classical Mechanics

    CERN Document Server

    Batalin, Igor A

    2016-01-01

    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.

  15. Quantum localization of classical mechanics

    Science.gov (United States)

    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.

  16. The Wigner representation of classical mechanics, quantization and classical limit

    Energy Technology Data Exchange (ETDEWEB)

    Bolivar, A.O. [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil)

    2001-08-01

    Starting from the Liouvillian formulation of classical physics it is possible by means of a Fourier transform to introduce the Wigner representation and to derive an operator structure to classical mechanisms. The importance of this new representation lies on the fact that it turns out to be suitable route to establish a general method of quantization directly from the equations of motion without alluding to the existence of Hamiltonian and Lagrangian functions. Following this approach we quantize only the motion of a Browian particle with non-linear friction in the Markovian approximation - the thermal bath may be quantum or classical -, thus when the bath is classically described we obtain a master equation which reduces to Caldeira-Legget equation for the linear friction case, and when the reservoir is quantum we get an equation reducing to the one found by Caldeira et al. By neglecting the environmental influence we show that the system can be approximately described by equations of motion in terms of wave function, such as the Schrodinger-Langevin equation and equations of the Caldirola-Kanai type. Finally to make the present study self-consistent we evaluate the classical limit of these dynamical equations employing a new classical limiting method h/2{pi} {yields} 0. (author)

  17. Classical Loop Actions of Gauge Theories

    CERN Document Server

    Armand-Ugon, D; Griego, J R; Setaro, L; Armand-Ugon, Daniel; Gambini, Rodolfo; Griego, Jorge; Setaro, Leonardo

    1994-01-01

    Since the first attempts to quantize Gauge Theories and Gravity in the loop representation, the problem of the determination of the corresponding classical actions has been raised. Here we propose a general procedure to determine these actions and we explicitly apply it in the case of electromagnetism. Going to the lattice we show that the electromagnetic action in terms of loops is equivalent to the Wilson action, allowing to do Montecarlo calculations in a gauge invariant way. In the continuum these actions need to be regularized and they are the natural candidates to describe the theory in a ``confining phase''.

  18. Semiclassical Calculation of Conductance Transmission through an Open Equilateral Triangular Billiards

    Institute of Scientific and Technical Information of China (English)

    XU Xue-You; ZHANG Yan-Hui; LI Hong-Yun; GAO Song; LIN Sheng-Lu

    2008-01-01

    We study the transport property passing through a weakly open equilateral triangular billiards by using the semiclassical method.We extend the Green function and the transport matrix theory to include the multiple scattering effect at the boundary and the diffractions of the pair of the lead apertures. For analysing the structure of semiclassical pseudo path kinks,the geometric and the special dynamical symmetries of the system are simultaneously taken into account.The conductance is calculated by Landaner formula as a function of the electron's Fermi wave number.Its Fourier transformation,the quantum path-length spectrum,is qualitatively in accordance with the results of the classical trajectories,which indicates that such approach provides an obvious improvement of the semiclassical description.

  19. Global 4-D trajectory optimization for spacecraft

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Global 4-D trajectory(x,y,z,t)is optimized for a spacecraft,which is launched from the Earth to fly around the Sun,just as star-drift of 1437 asteroids in the solar system.The spacecraft trajectory is controlled by low thrust.The performance index of optimal trajectory is to maximize the rendezvous times with the intermediate asteroids,and also maximize the final mass.This paper provides a combined algorithm of global 4-D trajectory optimization.The algorithm is composed of dynamic programming and two-point-boundary algorithm based on optimal control theory.The best 4-D trajectory is obtained:the spacecraft flies passing 55 asteroids,and rendezvous with(following or passing again)asteroids for 454 days,and finally rendezvous with the asteroid 2005SN25 on the day 60521(MJD),the final mass of the spacecraft is 836.53 kg.

  20. Mixed Quantum/Classical Theory for Molecule-Molecule Inelastic Scattering: Derivations of Equations and Application to N2 + H2 System.

    Science.gov (United States)

    Semenov, Alexander; Babikov, Dmitri

    2015-12-17

    The mixed quantum classical theory, MQCT, for inelastic scattering of two molecules is developed, in which the internal (rotational, vibrational) motion of both collision partners is treated with quantum mechanics, and the molecule-molecule scattering (translational motion) is described by classical trajectories. The resultant MQCT formalism includes a system of coupled differential equations for quantum probability amplitudes, and the classical equations of motion in the mean-field potential. Numerical tests of this theory are carried out for several most important rotational state-to-state transitions in the N2 + H2 system, in a broad range of collision energies. Besides scattering resonances (at low collision energies) excellent agreement with full-quantum results is obtained, including the excitation thresholds, the maxima of cross sections, and even some smaller features, such as slight oscillations of energy dependencies. Most importantly, at higher energies the results of MQCT are nearly identical to the full quantum results, which makes this approach a good alternative to the full-quantum calculations that become computationally expensive at higher collision energies and for heavier collision partners. Extensions of this theory to include vibrational transitions or general asymmetric-top rotor (polyatomic) molecules are relatively straightforward.

  1. Influence of Pedestrian Trajectories on School Children Exposure to PM10

    Directory of Open Access Journals (Sweden)

    João Garcia

    2014-01-01

    Full Text Available Three pedestrian trajectories are considered to study the influence of PM10 concentrations on children exposure, in a high-traffic street canyon. Two types of exposure were calculated: daily exposure for each wind condition and cumulative annual exposure considering all wind conditions. FLUENT was used to simulate the flow, turbulence, and PM10 dispersion in the street canyon. Our results indicate that exposure is influenced by the chosen walking trajectory and wind direction. When considering daily exposure, the highest value is achieved for the trajectory on the south side of the street, under westerly wind conditions, 13% higher than the baseline that assumes no traffic. The results indicate that a particular trajectory can be better for one specific wind direction but can represent the worst for a different wind direction. A difference of 3% to 13% higher exposure was achieved by choosing the best and worst trajectories. When computing cumulative annual exposure, trajectory on the north side of the street shows better results, 8.4% higher than the baseline value. Northerly and westerly winds result in the lowest and the highest exposure value for every studied trajectory. Careful selection of the best pedestrian paths can help reduce the exposure in busy street canyons.

  2. A trajectory and orientation reconstruction method for moving objects based on a moving monocular camera.

    Science.gov (United States)

    Zhou, Jian; Shang, Yang; Zhang, Xiaohu; Yu, Wenxian

    2015-03-09

    We propose a monocular trajectory intersection method to solve the problem that a monocular moving camera cannot be used for three-dimensional reconstruction of a moving object point. The necessary and sufficient condition of when this method has the unique solution is provided. An extended application of the method is to not only achieve the reconstruction of the 3D trajectory, but also to capture the orientation of the moving object, which would not be obtained by PnP problem methods due to lack of features. It is a breakthrough improvement that develops the intersection measurement from the traditional "point intersection" to "trajectory intersection" in videometrics. The trajectory of the object point can be obtained by using only linear equations without any initial value or iteration; the orientation of the object with poor conditions can also be calculated. The required condition for the existence of definite solution of this method is derived from equivalence relations of the orders of the moving trajectory equations of the object, which specifies the applicable conditions of the method. Simulation and experimental results show that it not only applies to objects moving along a straight line, or a conic and another simple trajectory, but also provides good result for more complicated trajectories, making it widely applicable.

  3. Personalized trajectory matching in spatial networks

    KAUST Repository

    Shang, Shuo

    2013-07-31

    With the increasing availability of moving-object tracking data, trajectory search and matching is increasingly important. We propose and investigate a novel problem called personalized trajectory matching (PTM). In contrast to conventional trajectory similarity search by spatial distance only, PTM takes into account the significance of each sample point in a query trajectory. A PTM query takes a trajectory with user-specified weights for each sample point in the trajectory as its argument. It returns the trajectory in an argument data set with the highest similarity to the query trajectory. We believe that this type of query may bring significant benefits to users in many popular applications such as route planning, carpooling, friend recommendation, traffic analysis, urban computing, and location-based services in general. PTM query processing faces two challenges: how to prune the search space during the query processing and how to schedule multiple so-called expansion centers effectively. To address these challenges, a novel two-phase search algorithm is proposed that carefully selects a set of expansion centers from the query trajectory and exploits upper and lower bounds to prune the search space in the spatial and temporal domains. An efficiency study reveals that the algorithm explores the minimum search space in both domains. Second, a heuristic search strategy based on priority ranking is developed to schedule the multiple expansion centers, which can further prune the search space and enhance the query efficiency. The performance of the PTM query is studied in extensive experiments based on real and synthetic trajectory data sets. © 2013 Springer-Verlag Berlin Heidelberg.

  4. New perspectives on classical electromagnetism

    OpenAIRE

    Cote, Paul J.

    2009-01-01

    The fallacies associated with the gauge concept in electromagnetism are illustrated. A clearer and more valid formulation of the basics of classical electromagnetism is provided by recognizing existing physical constraints as well as the physical reality of the vector potential.

  5. Soundscape of classical Chinese garden

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    With deep humanized connotation,the classical Chinese garden uses human intuitive sensation and personal poetic observation to express natural sound phenomena.It differs from the rational modern soundscape in western countries.

  6. Invariants from classical field theory

    CERN Document Server

    Diaz, Rafael

    2007-01-01

    We introduce a method that generates invariant functions from classical field theories depending on external parameters. We apply our method to several field theories such as abelian BF, Chern-Simons and 2-dimensional Yang-Mills theory.

  7. From Classical to Quantum Transistor

    OpenAIRE

    Sanjeev Kumar

    2009-01-01

    In this article the classical transistor and the basic physics underlying the operation of single electron transistor are presented; a brief history of transistor and current technological issues are discussed.

  8. From Classical to Quantum Transistor

    Directory of Open Access Journals (Sweden)

    Sanjeev Kumar

    2009-05-01

    Full Text Available In this article the classical transistor and the basic physics underlying the operation of single electron transistor are presented; a brief history of transistor and current technological issues are discussed.

  9. Classical Mechanics and Symplectic Integration

    DEFF Research Database (Denmark)

    Nordkvist, Nikolaj; Hjorth, Poul G.

    2005-01-01

    Content: Classical mechanics: Calculus of variations, Lagrange’s equations, Symmetries and Noether’s theorem, Hamilton’s equations, cannonical transformations, integrable systems, pertubation theory. Symplectic integration: Numerical integrators, symplectic integrators, main theorem on symplectic...

  10. Phase Space Cell in Nonextensive Classical Systems

    Directory of Open Access Journals (Sweden)

    Piero Quarati

    2003-06-01

    Full Text Available Abstract: We calculate the phase space volume Ω occupied by a nonextensive system of N classical particles described by an equilibrium (or steady-state, or long-term stationary state of a nonequilibrium system distribution function, which slightly deviates from Maxwell-Boltzmann (MB distribution in the high energy tail. We explicitly require that the number of accessible microstates does not change respect to the extensive MB case. We also derive, within a classical scheme, an analytical expression of the elementary cell that can be seen as a macrocell, different from the third power of Planck constant. Thermodynamic quantities like entropy, chemical potential and free energy of a classical ideal gas, depending on elementary cell, are evaluated. Considering the fractional deviation from MB distribution we can deduce a physical meaning of the nonextensive parameter q of the Tsallis nonextensive thermostatistics in terms of particle correlation functions (valid at least in the case, discussed in this work, of small deviations from MB standard case.

  11. SU-F-BRB-16: A Spreadsheet Based Automatic Trajectory GEnerator (SAGE): An Open Source Tool for Automatic Creation of TrueBeam Developer Mode Robotic Trajectories

    Energy Technology Data Exchange (ETDEWEB)

    Etmektzoglou, A; Mishra, P; Svatos, M [Varian Medical Systems, Palo Alto, CA (United States)

    2015-06-15

    Purpose: To automate creation and delivery of robotic linac trajectories with TrueBeam Developer Mode, an open source spreadsheet-based trajectory generation tool has been developed, tested and made freely available. The computing power inherent in a spreadsheet environment plus additional functions programmed into the tool insulate users from the underlying schema tedium and allow easy calculation, parameterization, graphical visualization, validation and finally automatic generation of Developer Mode XML scripts which are directly loadable on a TrueBeam linac. Methods: The robotic control system platform that allows total coordination of potentially all linac moving axes with beam (continuous, step-and-shoot, or combination thereof) becomes available in TrueBeam Developer Mode. Many complex trajectories are either geometric or can be described in analytical form, making the computational power, graphing and programmability available in a spreadsheet environment an easy and ideal vehicle for automatic trajectory generation. The spreadsheet environment allows also for parameterization of trajectories thus enabling the creation of entire families of trajectories using only a few variables. Standard spreadsheet functionality has been extended for powerful movie-like dynamic graphic visualization of the gantry, table, MLC, room, lasers, 3D observer placement and beam centerline all as a function of MU or time, for analysis of the motions before requiring actual linac time. Results: We used the tool to generate and deliver extended SAD “virtual isocenter” trajectories of various shapes such as parameterized circles and ellipses. We also demonstrated use of the tool in generating linac couch motions that simulate respiratory motion using analytical parameterized functions. Conclusion: The SAGE tool is a valuable resource to experiment with families of complex geometric trajectories for a TrueBeam Linac. It makes Developer Mode more accessible as a vehicle to quickly

  12. Electrostatics interactions in classical simulations.

    Science.gov (United States)

    Cisneros, G Andrés; Babin, Volodymyr; Sagui, Celeste

    2013-01-01

    Electrostatic interactions are crucial for both the accuracy and performance of atomistic biomolecular simulations. In this chapter we review well-established methods and current developments aiming at efficiency and accuracy. Specifically, we review the classical Ewald summations, particle-particle particle-method particle-method Ewald algorithms, multigrid, fast multipole, and local methods. We also highlight some recent developments targeting more accurate, yet classical, representation of the molecular charge distribution.

  13. Classical Transitions for Flux Vacua

    CERN Document Server

    Deskins, J Tate; Yang, I-Sheng

    2012-01-01

    We present the simplest model for classical transitions in flux vacua. A complex field with a spontaneously broken U(1) symmetry is embedded in $M_2\\times S_1$. We numerically construct different winding number vacua, the vortices interpolating between them, and simulate the collisions of these vortices. We show that classical transitions are generic at large boosts, independent of whether or not vortices miss each other in the compact $S_1$.

  14. New Perspective on Classical Electromagnetism

    Science.gov (United States)

    2013-04-01

    R. Feynman , R. Leighton, and M. Sands, The Feynman Lectures in Physics vol II (Addison-Wesley, Reading, MA, 1964). 6. W.K.H. Panofsky and M...of the basics of classical electromagnetism is provided by recognizing a previously overlooked law of induction as well as the physical reality of the...classical electromagnetism is provided by recognizing a previously overlooked law of induction as well as the physical reality of the vector potential

  15. A FUZZY UNCERTAINTY COMPENSATOR FOR MANIPULATOR TRAJECTORY TRACKING

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    A novel fuzzy logic compensating (FLC) scheme is proposed to enhance the conventional computed-torque control (CTC) structure of manipulators. The control scheme is based on the combination of a classical CTC and FLC, and the resulting control scheme has a simple structure with improved robustness. Further improvement of the performance of the FLC scheme is achieved through automatic tuning of a weight parameter ( leading to a self-tuning fuzzy logic compensator, so the system uncertainty can be compensated very well. By taking into account the full nonlinear nature of the robotic dynamics, the overall closed-loop system is shown to be asymptotically stable. Experimental results demonstrate the effectiveness of the computed torque and fuzzy compensation scheme to control a manipulator during a trajectory tracking task.

  16. Classical Photogrammetry and Uav - Selected Ascpects

    Science.gov (United States)

    Mikrut, S.

    2016-06-01

    The UAV technology seems to be highly future-oriented due to its low costs as compared to traditional aerial images taken from classical photogrammetry aircrafts. The AGH University of Science and Technology in Cracow - Department of Geoinformation, Photogrammetry and Environmental Remote Sensing focuses mainly on geometry and radiometry of recorded images. Various scientific research centres all over the world have been conducting the relevant research for years. The paper presents selected aspects of processing digital images made with the UAV technology. It provides on a practical example a comparison between a digital image taken from an airborne (classical) height, and the one made from an UAV level. In his research the author of the paper is trying to find an answer to the question: to what extent does the UAV technology diverge today from classical photogrammetry, and what are the advantages and disadvantages of both methods? The flight plan was made over the Tokarnia Village Museum (more than 0.5 km2) for two separate flights: the first was made by an UAV - System FT-03A built by FlyTech Solution Ltd. The second was made with the use of a classical photogrammetric Cesna aircraft furnished with an airborne photogrammetric camera (Ultra Cam Eagle). Both sets of photographs were taken with pixel size of about 3 cm, in order to have reliable data allowing for both systems to be compared. The project has made aerotriangulation independently for the two flights. The DTM was generated automatically, and the last step was the generation of an orthophoto. The geometry of images was checked under the process of aerotriangulation. To compare the accuracy of these two flights, control and check points were used. RMSE were calculated. The radiometry was checked by a visual method and using the author's own algorithm for feature extraction (to define edges with subpixel accuracy). After initial pre-processing of data, the images were put together, and shown side by side

  17. CLASSICAL PHOTOGRAMMETRY AND UAV – SELECTED ASCPECTS

    Directory of Open Access Journals (Sweden)

    S. Mikrut

    2016-06-01

    Full Text Available The UAV technology seems to be highly future-oriented due to its low costs as compared to traditional aerial images taken from classical photogrammetry aircrafts. The AGH University of Science and Technology in Cracow - Department of Geoinformation, Photogrammetry and Environmental Remote Sensing focuses mainly on geometry and radiometry of recorded images. Various scientific research centres all over the world have been conducting the relevant research for years. The paper presents selected aspects of processing digital images made with the UAV technology. It provides on a practical example a comparison between a digital image taken from an airborne (classical height, and the one made from an UAV level. In his research the author of the paper is trying to find an answer to the question: to what extent does the UAV technology diverge today from classical photogrammetry, and what are the advantages and disadvantages of both methods? The flight plan was made over the Tokarnia Village Museum (more than 0.5 km2 for two separate flights: the first was made by an UAV - System FT-03A built by FlyTech Solution Ltd. The second was made with the use of a classical photogrammetric Cesna aircraft furnished with an airborne photogrammetric camera (Ultra Cam Eagle. Both sets of photographs were taken with pixel size of about 3 cm, in order to have reliable data allowing for both systems to be compared. The project has made aerotriangulation independently for the two flights. The DTM was generated automatically, and the last step was the generation of an orthophoto. The geometry of images was checked under the process of aerotriangulation. To compare the accuracy of these two flights, control and check points were used. RMSE were calculated. The radiometry was checked by a visual method and using the author's own algorithm for feature extraction (to define edges with subpixel accuracy. After initial pre-processing of data, the images were put together, and

  18. Path Planning Using Concatenated Analytically-Defined Trajectories for Quadrotor UAVs

    Directory of Open Access Journals (Sweden)

    Jonathan Jamieson

    2015-04-01

    Full Text Available This paper presents a semi-analytical trajectory planning method for quadrotor UAVs. These trajectories are analytically defined, are constant in speed and sub-optimal with respect to a weighted quadratic cost function of the translational and angular velocities. A technique for concatenating the trajectories into multi-segment paths is demonstrated. These paths are smooth to the first derivative of the translational position and pass through defined waypoints. A method for detecting potential collisions by discretizing the path into a coarse mesh before using a numerical optimiser to determine the point of the path closest to the obstacle is presented. This hybrid method reduces the computation time when compared to discretizing the trajectory into a fine mesh and calculating the minimum distance. A tracking controller is defined and used to show that the paths are dynamically feasible and the typical magnitudes of the controller inputs required to fly them.

  19. Calculation of the thermal conductivity of low-density CH4-N2 gas mixtures using an improved kinetic theory approach

    Science.gov (United States)

    Hellmann, Robert; Bich, Eckard; Vesovic, Velisa

    2016-04-01

    The thermal conductivity of low-density CH4-N2 gas mixtures has been calculated by means of the classical trajectory method using state-of-the-art intermolecular potential energy surfaces for the CH4-CH4, N2-N2, and CH4-N2 interactions. Results are reported in the temperature range from 70 K to 1200 K. Since the thermal conductivity is influenced by the vibrational degrees of freedom of the molecules, which are not included in the rigid-rotor classical trajectory computations, a new correction scheme to account for vibrational degrees of freedom in a dilute gas mixture is presented. The calculations show that the vibrational contribution at the highest temperature studied amounts to 46% of the total thermal conductivity of an equimolar mixture compared to 13% for pure nitrogen and 58% for pure methane. The agreement with the available experimental thermal conductivity data at room temperature is good, within ±1.4%, whereas at higher temperatures, larger deviations up to 4.5% are observed, which can be tentatively attributed to deteriorating performance of the measuring technique employed. Results are also reported for the magnitude and temperature dependence of the rotational collision number, Zrot, for CH4 relaxing in collisions with N2 and for N2 relaxing in collisions with CH4. Both collision numbers increase with temperature, with the former being consistently about twice the value of the latter.

  20. Calculation of the thermal conductivity of low-density CH4-N2 gas mixtures using an improved kinetic theory approach.

    Science.gov (United States)

    Hellmann, Robert; Bich, Eckard; Vesovic, Velisa

    2016-04-01

    The thermal conductivity of low-density CH4-N2 gas mixtures has been calculated by means of the classical trajectory method using state-of-the-art intermolecular potential energy surfaces for the CH4-CH4, N2-N2, and CH4-N2 interactions. Results are reported in the temperature range from 70 K to 1200 K. Since the thermal conductivity is influenced by the vibrational degrees of freedom of the molecules, which are not included in the rigid-rotor classical trajectory computations, a new correction scheme to account for vibrational degrees of freedom in a dilute gas mixture is presented. The calculations show that the vibrational contribution at the highest temperature studied amounts to 46% of the total thermal conductivity of an equimolar mixture compared to 13% for pure nitrogen and 58% for pure methane. The agreement with the available experimental thermal conductivity data at room temperature is good, within ±1.4%, whereas at higher temperatures, larger deviations up to 4.5% are observed, which can be tentatively attributed to deteriorating performance of the measuring technique employed. Results are also reported for the magnitude and temperature dependence of the rotational collision number, Z(rot), for CH4 relaxing in collisions with N2 and for N2 relaxing in collisions with CH4. Both collision numbers increase with temperature, with the former being consistently about twice the value of the latter.

  1. An online trajectory module (version 1.0 for the non-hydrostatic numerical weather prediction model COSMO

    Directory of Open Access Journals (Sweden)

    A. K. Miltenberger

    2013-02-01

    Full Text Available A module to calculate online trajectories has been implemented into the non-hydrostatic limited-area weather prediction and climate model COSMO. Whereas offline trajectories are calculated with wind fields from model output, which is typically available every one to six hours, online trajectories use the simulated wind field at every model time step (typically less than a minute to solve the trajectory equation. As a consequence, online trajectories much better capture the short-term temporal fluctuations of the wind field, which is particularly important for mesoscale flows near topography and convective clouds, and they do not suffer from temporal interpolation errors between model output times. The numerical implementation of online trajectories in the COSMO model is based upon an established offline trajectory tool and takes full account of the horizontal domain decomposition that is used for parallelization of the COSMO model. Although a perfect workload balance cannot be achieved for the trajectory module (due to the fact that trajectory positions are not necessarily equally distributed over the model domain, the additional computational costs are fairly small for high-resolution simulations. Various options have been implemented to initialize online trajectories at different locations and times during the model simulation. As a first application of the new COSMO module an Alpine North Föhn event in summer 1987 has been simulated with horizontal resolutions of 2.2 km, 7 km, and 14 km. It is shown that low-tropospheric trajectories calculated offline with one- to six-hourly wind fields can significantly deviate from trajectories calculated online. Deviations increase with decreasing model grid spacing and are particularly large in regions of deep convection and strong orographic flow distortion. On average, for this particular case study, horizontal and vertical positions between online and offline trajectories differed by 50–190 km and

  2. Inferring Taxi Status Using GPS Trajectories

    CERN Document Server

    Zhu, Yin; Zhang, Liuhang; Santani, Darshan; Xie, Xing; Yang, Qiang

    2012-01-01

    In this paper, we infer the statuses of a taxi, consisting of occupied, non-occupied and parked, in terms of its GPS trajectory. The status information can enable urban computing for improving a city's transportation systems and land use planning. In our solution, we first identify and extract a set of effective features incorporating the knowledge of a single trajectory, historical trajectories and geographic data like road network. Second, a parking status detection algorithm is devised to find parking places (from a given trajectory), dividing a trajectory into segments (i.e., sub-trajectories). Third, we propose a two-phase inference model to learn the status (occupied or non-occupied) of each point from a taxi segment. This model first uses the identified features to train a local probabilistic classifier and then carries out a Hidden Semi-Markov Model (HSMM) for globally considering long term travel patterns. We evaluated our method with a large-scale real-world trajectory dataset generated by 600 taxis...

  3. Mass spectra and Regge trajectories of , , and baryons

    Science.gov (United States)

    Shah, Zalak; Thakkar, Kaushal; Rai, Ajay Kumar; Vinodkumar, P. C.

    2016-12-01

    We calculate the mass spectra of the singly charmed baryons (, , and ) using the hypercentral constituent quark model (hCQM). The hyper color Coulomb plus linear potential is used to calculate the masses of positive (up to ) and negative (up to ) parity excited states. The spin-spin, spin-orbital and tensor interaction terms are also incorporated for mass spectra. We have compared our results with other theoretical and lattice QCD predictions for each baryon. Moreover, the known experimental results are also reasonably close to our predicted masses. By using the radial and orbital excitation, we construct Regge trajectories for the baryons in the (n, M2) plane and find their slopes and intercepts. Other properties of these baryons, like magnetic moments, radiative transitions and radiative decay widths, are also calculated successfully. Supported in part (A. K. Rai) by DST, India (SERB Fast Track Scheme SR/FTP/PS-152/2012)

  4. A heretical view on linear Regge trajectories

    CERN Document Server

    Diakonov, D; Diakonov, Dmitri; Petrov, Victor

    2003-01-01

    We discuss a possibility that linear Regge trajectories originate not from gluonic strings connecting quarks, as it is usually assumed, but from pion excitations of light hadrons. From this point of view, at large angular momenta both baryons and mesons lying on linear Regge trajectories are slowly rotating thick strings of pion field, giving rise to a universal slope computable from the pion decay constant. The finite resonance widths are mainly due to the semiclassical radiation of pion fields by the rotating elongated chiral solitons. Quantum fluctuations about the soliton determine a string theory which, being quantized, gives the quantum numbers for Regge trajectories.

  5. Evaluating Trajectory Queries over Imprecise Location Data

    DEFF Research Database (Denmark)

    Xie, Scott, Xike; Cheng, Reynold; Yiu, Man Lung

    2012-01-01

    Trajectory queries, which retrieve nearby objects for every point of a given route, can be used to identify alerts of potential threats along a vessel route, or monitor the adjacent rescuers to a travel path. However, the locations of these objects (e.g., threats, succours) may not be precisely......, the query is quite time-consuming, since all the points on the trajectory are considered. In this paper, we study how to efficiently evaluate trajectory queries over imprecise location data, by proposing a new concept called the u-bisector. In general, the u-bisector is an extension of bisector to handle...

  6. Helicopter trajectory planning using optimal control theory

    Science.gov (United States)

    Menon, P. K. A.; Cheng, V. H. L.; Kim, E.

    1988-01-01

    A methodology for optimal trajectory planning, useful in the nap-of-the-earth guidance of helicopters, is presented. This approach uses an adjoint-control transformation along with a one-dimensional search scheme for generating the optimal trajectories. In addition to being useful for helicopter nap-of-the-earth guidance, the trajectory planning solution is of interest in several other contexts, such as robotic vehicle guidance and terrain-following guidance for cruise missiles and aircraft. A distinguishing feature of the present research is that the terrain constraint and the threat envelopes are incorporated in the equations of motion. Second-order necessary conditions are examined.

  7. An Examination of "The Martian" Trajectory

    Science.gov (United States)

    Burke, Laura

    2015-01-01

    This analysis was performed to support a request to examine the trajectory of the Hermes vehicle in the novel "The Martian" by Andy Weir. Weir developed his own tool to perform the analysis necessary to provide proper trajectory information for the novel. The Hermes vehicle is the interplanetary spacecraft that shuttles the crew to and from Mars. It is notionally a Nuclear powered vehicle utilizing VASIMR engines for propulsion. The intent of this analysis was the determine whether the trajectory as it was outlined in the novel is consistent with the rules of orbital mechanics.

  8. Estimation of motility parameters from trajectory data

    DEFF Research Database (Denmark)

    Vestergaard, Christian L.; Pedersen, Jonas Nyvold; Mortensen, Kim I.;

    2015-01-01

    Given a theoretical model for a self-propelled particle or micro-organism, how does one optimally determine the parameters of the model from experimental data in the form of a time-lapse recorded trajectory? For very long trajectories, one has very good statistics, and optimality may matter little....... However, for biological micro-organisms, one may not control the duration of recordings, and then optimality can matter. This is especially the case if one is interested in individuality and hence cannot improve statistics by taking population averages over many trajectories. One can learn much about...

  9. Towards Efficient Search for Activity Trajectories

    DEFF Research Database (Denmark)

    Zheng, Kai; Shang, Shuo; Yuan, Jing

    2013-01-01

    , recent proliferation in location-based web applications (e.g., Foursquare, Facebook) has given rise to large amounts of trajectories associated with activity information, called activity trajectory. In this paper, we study the problem of efficient similarity search on activity trajectory database. Given...... simultaneously. In addition, we propose algorithms for efficient computation of the minimum match distance and minimum order-sensitive match distance, respectively. The results of our extensive empirical studies based on real online check-in datasets demonstrate that our proposed index and methods are capable...

  10. Augmenting Parametric Optimal Ascent Trajectory Modeling with Graph Theory

    Science.gov (United States)

    Dees, Patrick D.; Zwack, Matthew R.; Edwards, Stephen; Steffens, Michael

    2016-01-01

    into Conceptual and Pre-Conceptual design, knowledge of the effects originating from changes to the vehicle must be calculated. In order to do this, a model capable of quantitatively describing any vehicle within the entire design space under consideration must be constructed. This model must be based upon analysis of acceptable fidelity, which in this work comes from POST. Design space interrogation can be achieved with surrogate modeling, a parametric, polynomial equation representing a tool. A surrogate model must be informed by data from the tool with enough points to represent the solution space for the chosen number of variables with an acceptable level of error. Therefore, Design Of Experiments (DOE) is used to select points within the design space to maximize information gained on the design space while minimizing number of data points required. To represent a design space with a non-trivial number of variable parameters the number of points required still represent an amount of work which would take an inordinate amount of time via the current paradigm of manual analysis, and so an automated method was developed. The best practices of expert trajectory analysts working within NASA Marshall's Advanced Concepts Office (ACO) were implemented within a tool called multiPOST. These practices include how to use the output data from a previous run of POST to inform the next, determining whether a trajectory solution is feasible from a real-world perspective, and how to handle program execution errors. The tool was then augmented with multiprocessing capability to enable analysis on multiple trajectories simultaneously, allowing throughput to scale with available computational resources. In this update to the previous work the authors discuss issues with the method and solutions.

  11. Semi-classical H2-broadening coefficients of 12CH3D rovibrational lines and their temperature dependence for planetary atmosphere modeling

    Science.gov (United States)

    Sinyakova, T.; Buldyreva, J.

    2017-01-01

    Theoretical hydrogen-broadening coefficients and associated temperature exponents for 12CH3D (J, K) lines in parallel (ΔK = 0) bands are calculated by a semi-classical approach based on a rigorous consideration of the active molecule as a symmetric top, a model intermolecular potential comprising both short- and long-range interactions, and exact classical trajectories. The leading potential terms are shown to provide a realistic description of line broadening in comparison with scarce measurements available in the literature. The calculations performed for 296, 240 and 190 K are used to extract the line-width temperature-dependence exponents for the typical temperature range of atmospheric interest ∼200-300 K. Detailed P-Q-R-line lists are provided for large intervals of quantum numbers (0 ≤ J ≤ 20, 0 ≤ K ≤ J) requested for remote sensing of planetary atmospheres, in particular those of outer planets and their moons. With negligible vibrational dependence of CH3D line-widths and estimated as negligible their sub-branch dependence, these data can be also employed for perpendicular bands.

  12. Pomeron and odderon Regge trajectories from a dynamical holographic model

    Directory of Open Access Journals (Sweden)

    Eduardo Folco Capossoli

    2016-09-01

    Full Text Available In this work we use gauge/string dualities and a dynamical model that takes into account dynamical corrections to the metric of the anti de Sitter space due to a quadratic dilaton field and calculate the masses of even and odd spin glueball states with P=C=+1, and P=C=−1, respectively. Then we construct the corresponding Regge trajectories which are associated with the pomeron for even states with P=C=+1, and with the odderon for odd states with P=C=−1. We compare our results with those coming from experimental data as well as other models.

  13. Effect of gravomagnetism on the trajectory of light ray

    CERN Document Server

    Chakrabortya, Sarani

    2015-01-01

    It has been shown by various authors that gravo magnetic field can produce lensing effect. The effect of such a gravitational body with magnetic monopole on the trajectory of light ray is discussed in this paper. The light deflection angle has been calculated in the present works, considering upto fourth order terms. Schwarzschild light deflection angle can be obtained from this expression, by setting magnetism equals to zero. However, for a hypothetical massless, magnetic monopole the light deflection angle does not reduce to zero.

  14. Semi-classical description of matter wave interferometers and hybrid quantum systems

    Energy Technology Data Exchange (ETDEWEB)

    Schneider, Mathias

    2015-02-16

    This work considers the semi-classical description of two applications involving cold atoms. This is, on one hand, the behavior of a BOSE-EINSTEIN condensate in hybrid systems, i.e. in contact with a microscopic object (carbon nanotubes, fullerenes, etc.). On the other, the evolution of phase space distributions in matter wave interferometers utilizing ray tracing methods was discussed. For describing condensates in hybrid systems, one can map the GROSS-PITAEVSKII equation, a differential equation in the complex-valued macroscopic wave function, onto a system of two differential equations in density and phase. Neglecting quantum dispersion, one obtains a semiclassical description which is easily modified to incorporate interactions between condensate and microscopical object. In our model, these interactions comprise attractive forces (CASIMIR-POLDER forces) and loss of condensed atoms due to inelastic collisions at the surface of the object. Our model exhibited the excitation of sound waves that are triggered by the object's rapid immersion, and spread across the condensate thereafter. Moreover, local particle loss leads to a shrinking of the bulk condensate. We showed that the total number of condensed particles is decreasing potentially in the beginning (large condensate, strong mean field interaction), while it decays exponentially in the long-time limit (small condensate, mean field inetraction negligible). For representing the physics of matter wave interferometers in phase space, we utilized the WIGNER function. In semi-classical approximation, which again consists in ignoring the quantum dispersion, this representation is subject to the same equation of motion as classical phase space distributions, i.e. the LIOUVILLE equation. This implies that time evolution of theWIGNER function follows a phase space flow that consists of classical trajectories (classical transport). This means, for calculating a time-evolved distribution, one has know the initial

  15. Hermeneutic reading of classic texts.

    Science.gov (United States)

    Koskinen, Camilla A-L; Lindström, Unni Å

    2013-09-01

    The purpose of this article is to broaden the understandinfg of the hermeneutic reading of classic texts. The aim is to show how the choice of a specific scientific tradition in conjunction with a methodological approach creates the foundation that clarifies the actual realization of the reading. This hermeneutic reading of classic texts is inspired by Gadamer's notion that it is the researcher's own research tradition and a clearly formulated theoretical fundamental order that shape the researcher's attitude towards texts and create the starting point that guides all reading, uncovering and interpretation. The researcher's ethical position originates in a will to openness towards what is different in the text and which constantly sets the researcher's preunderstanding and research tradition in movement. It is the researcher's attitude towards the text that allows the text to address, touch and arouse wonder. Through a flexible, lingering and repeated reading of classic texts, what is different emerges with a timeless value. The reading of classic texts is an act that may rediscover and create understanding for essential dimensions and of human beings' reality on a deeper level. The hermeneutic reading of classic texts thus brings to light constantly new possibilities of uncovering for a new envisioning and interpretation for a new understanding of the essential concepts and phenomena within caring science.

  16. Does classical liberalism imply democracy?

    Directory of Open Access Journals (Sweden)

    David Ellerman

    2015-12-01

    Full Text Available There is a fault line running through classical liberalism as to whether or not democratic self-governance is a necessary part of a liberal social order. The democratic and non-democratic strains of classical liberalism are both present today—particularly in the United States. Many contemporary libertarians and neo-Austrian economists represent the non-democratic strain in their promotion of non-democratic sovereign city-states (start-up cities or charter cities. We will take the late James M. Buchanan as a representative of the democratic strain of classical liberalism. Since the fundamental norm of classical liberalism is consent, we must start with the intellectual history of the voluntary slavery contract, the coverture marriage contract, and the voluntary non-democratic constitution (or pactum subjectionis. Next we recover the theory of inalienable rights that descends from the Reformation doctrine of the inalienability of conscience through the Enlightenment (e.g. Spinoza and Hutcheson in the abolitionist and democratic movements. Consent-based governments divide into those based on the subjects’ alienation of power to a sovereign and those based on the citizens’ delegation of power to representatives. Inalienable rights theory rules out that alienation in favor of delegation, so the citizens remain the ultimate principals and the form of government is democratic. Thus the argument concludes in agreement with Buchanan that the classical liberal endorsement of sovereign individuals acting in the marketplace generalizes to the joint action of individuals as the principals in their own organizations.

  17. No Return to Classical Reality

    CERN Document Server

    Jennings, David

    2015-01-01

    At a fundamental level, the classical picture of the world is dead, and has been dead now for almost a century. Pinning down exactly which quantum phenomena are responsible for this has proved to be a tricky and controversial question, but a lot of progress has been made in the past few decades. We now have a range of precise statements showing that whatever the ultimate laws of Nature are, they cannot be classical. In this article, we review results on the fundamental phenomena of quantum theory that cannot be understood in classical terms. We proceed by first granting quite a broad notion of classicality, describe a range of quantum phenomena (such as randomness, discreteness, the indistinguishability of states, measurement-uncertainty, measurement-disturbance, complementarity, noncommutativity, interference, the no-cloning theorem, and the collapse of the wave-packet) that do fall under its liberal scope, and then finally describe some aspects of quantum physics that can never admit a classical understandi...

  18. Insertion device calculations with mathematica

    Energy Technology Data Exchange (ETDEWEB)

    Carr, R. [Stanford Synchrotron Radiation Lab., CA (United States); Lidia, S. [Univ. of California, Davis, CA (United States)

    1995-02-01

    The design of accelerator insertion devices such as wigglers and undulators has usually been aided by numerical modeling on digital computers, using code in high level languages like Fortran. In the present era, there are higher level programming environments like IDL{reg_sign}, MatLab{reg_sign}, and Mathematica{reg_sign} in which these calculations may be performed by writing much less code, and in which standard mathematical techniques are very easily used. The authors present a suite of standard insertion device modeling routines in Mathematica to illustrate the new techniques. These routines include a simple way to generate magnetic fields using blocks of CSEM materials, trajectory solutions from the Lorentz force equations for given magnetic fields, Bessel function calculations of radiation for wigglers and undulators and general radiation calculations for undulators.

  19. Affine trajectory correction for nonholonomic mobile robots

    CERN Document Server

    Pham, Quang-Cuong

    2011-01-01

    Planning trajectories for nonholonomic systems is difficult and computationally expensive. When facing unexpected events, it may therefore be preferable to deform in some way the initially planned trajectory rather than to re-plan entirely a new one. We suggest here a method based on affine transformations to make such deformations. This method is exact and fast: the deformations and the resulting trajectories can be computed algebraically, in one step, and without any trajectory re-integration. To demonstrate the possibilities offered by this new method, we use it to derive position correction, orientation correction, obstacle avoidance and feedback control algorithms for the general class of planar wheeled robots and for a tridimensional underwater vehicle.

  20. Action Recognition Using Discriminative Structured Trajectory Groups

    KAUST Repository

    Atmosukarto, Indriyati

    2015-01-06

    In this paper, we develop a novel framework for action recognition in videos. The framework is based on automatically learning the discriminative trajectory groups that are relevant to an action. Different from previous approaches, our method does not require complex computation for graph matching or complex latent models to localize the parts. We model a video as a structured bag of trajectory groups with latent class variables. We model action recognition problem in a weakly supervised setting and learn discriminative trajectory groups by employing multiple instance learning (MIL) based Support Vector Machine (SVM) using pre-computed kernels. The kernels depend on the spatio-temporal relationship between the extracted trajectory groups and their associated features. We demonstrate both quantitatively and qualitatively that the classification performance of our proposed method is superior to baselines and several state-of-the-art approaches on three challenging standard benchmark datasets.

  1. Boolean networks with robust and reliable trajectories

    Energy Technology Data Exchange (ETDEWEB)

    Schmal, Christoph; Peixoto, Tiago P; Drossel, Barbara, E-mail: schmal@physik.uni-bielefeld.d, E-mail: tiago@fkp.tu-darmstadt.d, E-mail: drossel@fkp.tu-darmstadt.d [Institut fuer Festkoerperphysik, TU Darmstadt, Hochschulstrasse 6, 64289 Darmstadt (Germany)

    2010-11-15

    We construct and investigate Boolean networks that follow a given reliable trajectory in state space, which is insensitive to fluctuations in the updating schedule and which is also robust against noise. Robustness is quantified as the probability that the dynamics return to the reliable trajectory after a perturbation of the state of a single node. In order to achieve high robustness, we navigate through the space of possible update functions by using an evolutionary algorithm. We constrain the networks to those having the minimum number of connections required to obtain the reliable trajectory. Surprisingly, we find that robustness always reaches values close to 100% during the evolutionary optimization process. The set of update functions can be evolved such that it differs only slightly from that of networks that were not optimized with respect to robustness. The state space of the optimized networks is dominated by the basin of attraction of the reliable trajectory.

  2. Analytical Ballistic Trajectories with Approximately Linear Drag

    Directory of Open Access Journals (Sweden)

    Giliam J. P. de Carpentier

    2014-01-01

    Full Text Available This paper introduces a practical analytical approximation of projectile trajectories in 2D and 3D roughly based on a linear drag model and explores a variety of different planning algorithms for these trajectories. Although the trajectories are only approximate, they still capture many of the characteristics of a real projectile in free fall under the influence of an invariant wind, gravitational pull, and terminal velocity, while the required math for these trajectories and planners is still simple enough to efficiently run on almost all modern hardware devices. Together, these properties make the proposed approach particularly useful for real-time applications where accuracy and performance need to be carefully balanced, such as in computer games.

  3. Trajectory Clustering with Applications to Airspace Monitoring

    Data.gov (United States)

    National Aeronautics and Space Administration — This paper presents a framework aimed at monitoring the behavior of aircraft in a given airspace. Trajectories that constitute typical operations are determined and...

  4. Population in the classic economics

    Directory of Open Access Journals (Sweden)

    Adnan Doğruyol

    2013-02-01

    Full Text Available Growth subject in economics is an important factor of development. Classic economics ecole indicates the population as main variable which tender of growth. On the other hand T. R. Malthus is known as economist who regards population as a problem and brings up it among the classical economists. However, Adam Smith is an intellectual who discussed population problem earlier on the classic economics theory. According to Adam Smith one of the main factors that realise the growth is labour. In addition to population made it established. The aim of this study is analyzing the mental relationship between Malthus whose name has been identified with relation between population-growth and Smith who discussed this subject first time but put it off on process of theorisation.

  5. Trajectory Browser: An Online Tool for Interplanetary Trajectory Analysis and Visualization

    Science.gov (United States)

    Foster, Cyrus James

    2013-01-01

    The trajectory browser is a web-based tool developed at the NASA Ames Research Center for finding preliminary trajectories to planetary bodies and for providing relevant launch date, time-of-flight and (Delta)V requirements. The site hosts a database of transfer trajectories from Earth to planets and small-bodies for various types of missions such as rendezvous, sample return or flybys. A search engine allows the user to find trajectories meeting desired constraints on the launch window, mission duration and (Delta)V capability, while a trajectory viewer tool allows the visualization of the heliocentric trajectory and the detailed mission itinerary. The anticipated user base of this tool consists primarily of scientists and engineers designing interplanetary missions in the context of pre-phase A studies, particularly for performing accessibility surveys to large populations of small-bodies.

  6. Optimum Onager: The Classical Mechanics of a Classical Siege Engine

    Science.gov (United States)

    Denny, Mark

    2009-01-01

    The onager is a throwing weapon of classical antiquity, familiar to both the ancient Greeks and Romans. Here we analyze the dynamics of onager operation and derive the optimum angle for launching a projectile to its maximum range. There is plenty of scope for further considerations about increasing onager range, and so by thinking about how this…

  7. Overview of Classical Swine Fever (Hog Cholera, Classical Swine fever)

    Science.gov (United States)

    Classical swine fever is a contagious often fatal disease of pigs clinically characterized by high body temperature, lethargy, yellowish diarrhea, vomits and purple skin discoloration of ears, lower abdomen and legs. It was first described in the early 19th century in the USA. Later, a condition i...

  8. What is Surrealistic about Bohm Trajectories?

    CERN Document Server

    Terra-Cunha, M O

    1998-01-01

    We discuss interferometers in Bohmian quantum mechanics. It is shown that, with the correct configuration space, Bohm trajectories in a which way interferometer are not surrealistic, but behaves exactly as common sense suggests. Some remarks about a way to generalize Bohmian mechanics to treat density matrix are also made. PACS: 03.65.Bz, 03.75.Dg Key words: Bohm Trajectories, Which Way Interferometers, ESSW

  9. Trajectory generation for a remotely operated vehicle

    OpenAIRE

    2003-01-01

    This paper addresses the problem of trajectory generation for a remotely operated vehicle (ROV). The ROV is a nonholonomic vehicle and has limited actuator capabilities. This means that the task of trajectory generation for the inspection of underwater structures is not a trivial one, and that it cannot be done without computer aided design tools. The approach is based on techniques developed for differential flat systems. The ROV model is presented and it is shown that it satisfies the diffe...

  10. Machine Learning for Biological Trajectory Classification Applications

    Science.gov (United States)

    Sbalzarini, Ivo F.; Theriot, Julie; Koumoutsakos, Petros

    2002-01-01

    Machine-learning techniques, including clustering algorithms, support vector machines and hidden Markov models, are applied to the task of classifying trajectories of moving keratocyte cells. The different algorithms axe compared to each other as well as to expert and non-expert test persons, using concepts from signal-detection theory. The algorithms performed very well as compared to humans, suggesting a robust tool for trajectory classification in biological applications.

  11. User Oriented Trajectory Search for Trip Recommendation

    KAUST Repository

    Ding, Ruogu

    2012-09-08

    Trajectory sharing and searching have received significant attention in recent years. In this thesis, we propose and investigate the methods to find and recommend the best trajectory to the traveler, and mainly focus on a novel technique named User Oriented Trajectory Search (UOTS) query processing. In contrast to conventional trajectory search by locations (spatial domain only), we consider both spatial and textual domains in the new UOTS query. Given a trajectory data set, the query input contains a set of intended places given by the traveler and a set of textual attributes describing the traveler’s preference. If a trajectory is connecting/close to the specified query locations, and the textual attributes of the trajectory are similar to the traveler’s preference, it will be recommended to the traveler. This type of queries can enable many popular applications such as trip planning and recommendation. There are two challenges in UOTS query processing, (i) how to constrain the searching range in two domains and (ii) how to schedule multiple query sources effectively. To overcome the challenges and answer the UOTS query efficiently, a novel collaborative searching approach is developed. Conceptually, the UOTS query processing is conducted in the spatial and textual domains alternately. A pair of upper and lower bounds are devised to constrain the searching range in two domains. In the meantime, a heuristic searching strategy based on priority ranking is adopted for scheduling the multiple query sources, which can further reduce the searching range and enhance the query efficiency notably. Furthermore, the devised collaborative searching approach can be extended to situations where the query locations are or- dered. Extensive experiments are conducted on both real and synthetic trajectory data in road networks. Our approach is verified to be effective in reducing both CPU time and disk I/O time.

  12. Trajectory Control and Optimization for Responsive Spacecraft

    Science.gov (United States)

    2012-03-22

    functions. The scalar function φ defines the cost associated with the terminal conditions, and is referred to as the Mayer cost. The scalar function L...defines the cost associated with the values of x and u throughout the trajectory, and is referred to as the Lagrange cost. When J contains both a Mayer ...optimal space trajectories and is a fundamental reference in a vast majority of the literature on this subject. [22] Building on Lawden’s work, Jean

  13. Kinematic evaluation of virtual walking trajectories.

    Science.gov (United States)

    Cirio, Gabriel; Olivier, Anne-Hélène; Marchal, Maud; Pettré, Julien

    2013-04-01

    Virtual walking, a fundamental task in Virtual Reality (VR), is greatly influenced by the locomotion interface being used, by the specificities of input and output devices, and by the way the virtual environment is represented. No matter how virtual walking is controlled, the generation of realistic virtual trajectories is absolutely required for some applications, especially those dedicated to the study of walking behaviors in VR, navigation through virtual places for architecture, rehabilitation and training. Previous studies focused on evaluating the realism of locomotion trajectories have mostly considered the result of the locomotion task (efficiency, accuracy) and its subjective perception (presence, cybersickness). Few focused on the locomotion trajectory itself, but in situation of geometrically constrained task. In this paper, we study the realism of unconstrained trajectories produced during virtual walking by addressing the following question: did the user reach his destination by virtually walking along a trajectory he would have followed in similar real conditions? To this end, we propose a comprehensive evaluation framework consisting on a set of trajectographical criteria and a locomotion model to generate reference trajectories. We consider a simple locomotion task where users walk between two oriented points in space. The travel path is analyzed both geometrically and temporally in comparison to simulated reference trajectories. In addition, we demonstrate the framework over a user study which considered an initial set of common and frequent virtual walking conditions, namely different input devices, output display devices, control laws, and visualization modalities. The study provides insight into the relative contributions of each condition to the overall realism of the resulting virtual trajectories.

  14. Age trajectories of stroke case fatality

    DEFF Research Database (Denmark)

    Olsen, Tom Skyhøj; Andersen, Zorana Jovanovic; Andersen, Klaus Kaae

    2011-01-01

    Mortality rates level off at older ages. Age trajectories of stroke case-fatality rates were studied with the aim of investigating prevalence of this phenomenon, specifically in case-fatality rates at older ages.......Mortality rates level off at older ages. Age trajectories of stroke case-fatality rates were studied with the aim of investigating prevalence of this phenomenon, specifically in case-fatality rates at older ages....

  15. User Oriented Trajectory Search for Trip Recommendation

    KAUST Repository

    Ding, Ruogu

    2012-07-08

    Trajectory sharing and searching have received significant attention in recent years. In this thesis, we propose and investigate the methods to find and recommend the best trajectory to the traveler, and mainly focus on a novel technique named User Oriented Trajectory Search (UOTS) query processing. In contrast to conventional trajectory search by locations (spatial domain only), we consider both spatial and textual domains in the new UOTS query. Given a trajectory data set, the query input contains a set of intended places given by the traveler and a set of textual attributes describing the traveler’s preference. If a trajectory is connecting/close to the specified query locations, and the textual attributes of the trajectory are similar to the traveler’s preference, it will be recommended to the traveler. This type of queries can enable many popular applications such as trip planning and recommendation. There are two challenges in UOTS query processing, (i) how to constrain the searching range in two domains and (ii) how to schedule multiple query sources effectively. To overcome the challenges and answer the UOTS query efficiently, a novel collaborative searching approach is developed. Conceptually, the UOTS query processing is conducted in the spatial and textual domains alternately. A pair of upper and lower bounds are devised to constrain the searching range in two domains. In the meantime, a heuristic searching strategy based on priority ranking is adopted for scheduling the multiple query sources, which can further reduce the searching range and enhance the query efficiency notably. Furthermore, the devised collaborative searching approach can be extended to situations where the query locations are ordered. Extensive experiments are conducted on both real and synthetic trajectory data in road networks. Our approach is verified to be effective in reducing both CPU time and disk I/O time.

  16. Trajectory options for the DART mission

    Science.gov (United States)

    Atchison, Justin A.; Ozimek, Martin T.; Kantsiper, Brian L.; Cheng, Andrew F.

    2016-06-01

    This study presents interplanetary trajectory options for the Double Asteroid Redirection Test (DART) spacecraft to reach the near Earth object, Didymos binary system, during its 2022 Earth conjunction. DART represents a component of a joint NASA-ESA mission to study near Earth object kinetic impact deflection. The DART trajectory must satisfy mission objectives for arrival timing, geometry, and lighting while minimizing launch vehicle and spacecraft propellant requirements. Chemical propulsion trajectories are feasible from two candidate launch windows in late 2020 and 2021. The 2020 trajectories are highly perturbed by Earth's orbit, requiring post-launch deep space maneuvers to retarget the Didymos system. Within these windows, opportunities exist for flybys of additional near Earth objects: Orpheus in 2021 or 2007 YJ in 2022. A second impact attempt, in the event that the first impact is unsuccessful, can be added at the expense of a shorter launch window and increased (∼3x) spacecraft ΔV . However, the second impact arrival geometry has poor lighting, high Earth ranges, and would require additional degrees of freedom for solar panel and/or antenna gimbals. A low-thrust spacecraft configuration increases the trajectory flexibility. A solar electric propulsion spacecraft could be affordably launched as a secondary spacecraft in an Earth orbit and spiral out to target the requisite interplanetary departure condition. A sample solar electric trajectory was constructed from an Earth geostationary transfer using a representative 1.5 kW thruster. The trajectory requires 9 months to depart Earth's sphere of influence, after which its interplanetary trajectory includes a flyby of Orpheus and a second Didymos impact attempt. The solar electric spacecraft implementation would impose additional bus design constraints, including large solar arrays that could pose challenges for terminal guidance. On the basis of this study, there are many feasible options for DART to

  17. "Traditional knowledge" and local development trajectories

    OpenAIRE

    2005-01-01

    The paper discusses the concept of "traditional knowledge": its definition, economic significance and role in shaping regional development trajectories. After outlining a conceptual framework for the analysis of traditional knowledge, the paper examines the changing position of traditional knowledge in two Italian regions that have followed quite different development trajectories since the 1950s: the "Sibillini Mountains Region", which has one of the most complex human landscapes in Europe, ...

  18. Classical equation of motion and anomalous dimensions at leading order

    Science.gov (United States)

    Nii, Keita

    2016-07-01

    Motivated by a recent paper by Rychkov-Tan [1], we calculate the anomalous dimensions of the composite operators at the leading order in various models including a ϕ 3-theory in (6 - ɛ) dimensions. The method presented here relies only on the classical equation of motion and the conformal symmetry. In case that only the leading expressions of the critical exponents are of interest, it is sufficient to reduce the multiplet recombination discussed in [1] to the classical equation of motion. We claim that in many cases the use of the classical equations of motion and the CFT constraint on two- and three-point functions completely determine the leading behavior of the anomalous dimensions at the Wilson-Fisher fixed point without any input of the Feynman diagrammatic calculation. The method developed here is closely related to the one presented in [1] but based on a more perturbative point of view.

  19. Classical planning and causal implicatures

    DEFF Research Database (Denmark)

    Blackburn, Patrick Rowan; Benotti, Luciana

    In this paper we motivate and describe a dialogue manager (called Frolog) which uses classical planning to infer causal implicatures. A causal implicature is a type of Gricean relation implicature, a highly context dependent form of inference. As we shall see, causal implicatures are important...... to generate clarification requests"; as a result we can model task-oriented dialogue as an interactive process locally structured by negotiation of the underlying task. We give several examples of Frolog-human dialog, discuss the limitations imposed by the classical planning paradigm, and indicate...

  20. Comparing classical and quantum equilibration

    CERN Document Server

    Malabarba, Artur S L; Short, Anthony J

    2016-01-01

    By using a physically-relevant and theory independent definition of measurement-based equilibration, we show quantitatively that equilibration is easier for quantum systems than for classical systems, in the situation where the initial state of the system is completely known (pure state). This shows that quantum equilibration is a fundamental, nigh unavoidable, aspect of physical systems, while classical equilibration relies on experimental ignorance. When the state is not completely known, a mixed state, this framework also shows quantum equilibration requires weaker conditions.