WorldWideScience

Sample records for dimensional 15d quantum-dynamical

  1. Geometry of quantum dynamics in infinite-dimensional Hilbert space

    Science.gov (United States)

    Grabowski, Janusz; Kuś, Marek; Marmo, Giuseppe; Shulman, Tatiana

    2018-04-01

    We develop a geometric approach to quantum mechanics based on the concept of the Tulczyjew triple. Our approach is genuinely infinite-dimensional, i.e. we do not restrict considerations to finite-dimensional Hilbert spaces, contrary to many other works on the geometry of quantum mechanics, and include a Lagrangian formalism in which self-adjoint (Schrödinger) operators are obtained as Lagrangian submanifolds associated with the Lagrangian. As a byproduct we also obtain results concerning coadjoint orbits of the unitary group in infinite dimensions, embedding of pure states in the unitary group, and self-adjoint extensions of symmetric relations.

  2. Quantum dynamics of water dissociative chemisorption on rigid Ni(111): An approximate nine-dimensional treatment

    International Nuclear Information System (INIS)

    Jiang, Bin; Song, Hongwei; Yang, Minghui; Guo, Hua

    2016-01-01

    The quantum dynamics of water dissociative chemisorption on the rigid Ni(111) surface is investigated using a recently developed nine-dimensional potential energy surface. The quantum dynamical model includes explicitly seven degrees of freedom of D 2 O at fixed surface sites, and the final results were obtained with a site-averaging model. The mode specificity in the site-specific results is reported and analyzed. Finally, the approximate sticking probabilities for various vibrationally excited states of D 2 O are obtained considering surface lattice effects and formally all nine degrees of freedom. The comparison with experiment reveals the inaccuracy of the density functional theory and suggests the need to improve the potential energy surface.

  3. Water dissociating on rigid Ni(100): A quantum dynamics study on a full-dimensional potential energy surface

    Science.gov (United States)

    Liu, Tianhui; Chen, Jun; Zhang, Zhaojun; Shen, Xiangjian; Fu, Bina; Zhang, Dong H.

    2018-04-01

    We constructed a nine-dimensional (9D) potential energy surface (PES) for the dissociative chemisorption of H2O on a rigid Ni(100) surface using the neural network method based on roughly 110 000 energies obtained from extensive density functional theory (DFT) calculations. The resulting PES is accurate and smooth, based on the small fitting errors and the good agreement between the fitted PES and the direct DFT calculations. Time dependent wave packet calculations also showed that the PES is very well converged with respect to the fitting procedure. The dissociation probabilities of H2O initially in the ground rovibrational state from 9D quantum dynamics calculations are quite different from the site-specific results from the seven-dimensional (7D) calculations, indicating the importance of full-dimensional quantum dynamics to quantitatively characterize this gas-surface reaction. It is found that the validity of the site-averaging approximation with exact potential holds well, where the site-averaging dissociation probability over 15 fixed impact sites obtained from 7D quantum dynamics calculations can accurately approximate the 9D dissociation probability for H2O in the ground rovibrational state.

  4. New ab initio potential surfaces and three-dimensional quantum dynamics for transition state spectroscopy in ozone photodissociation

    Science.gov (United States)

    Yamashita, Koichi; Morokuma, Keiji; Le Quéré, Frederic; Leforestier, Claude

    1992-04-01

    New ab initio potential energy surfaces (PESs) of the ground and B ( 1B 2) states of ozone have been calculated with the CASSCF-SECI/DZP method to describe the three-dimensional photodissociation process. The dissociation energy of the ground state and the vertical barrier height of the B PES are obtained to be 0.88 and 1.34 eV, respectively, in better agreement with the experimental values than the previous calculation. The photodissociation autocorrelation function, calculated on the new B PES, based on exact three-dimensional quantum dynamics, reproduces well the main recurrence feature extracted from the experimental spectra.

  5. Competition between abstraction and exchange channels in H + HCN reaction: Full-dimensional quantum dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Bin; Guo, Hua, E-mail: hguo@unm.edu [Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131 (United States)

    2013-12-14

    Dynamics of the title reaction is investigated on an ab initio based potential energy surface using a full-dimensional quantum wave packet method within the centrifugal sudden approximation. It is shown that the reaction between H and HCN leads to both the hydrogen exchange and hydrogen abstraction channels. The exchange channel has a lower threshold and larger cross section than the abstraction channel. It also has more oscillations due apparently to quantum resonances. Both channels are affected by long-lived resonances supported by potential wells. Comparison with experimental cross sections indicates underestimation of the abstraction barrier height.

  6. Full-dimensional quantum dynamics of CO in collision with H{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Benhui; Stancil, P. C. [Department of Physics and Astronomy and the Center for Simulational Physics, The University of Georgia, Athens, Georgia 30602 (United States); Balakrishnan, N. [Department of Chemistry, University of Nevada, Las Vegas, Nevada 89154 (United States); Zhang, P. [Department of Chemistry, Duke University, Durham, North Carolina 27708 (United States); Wang, X.; Bowman, J. M. [Department of Chemistry, Emory University, Atlanta, Georgia 30322 (United States); Forrey, R. C. [Department of Physics, Penn State University, Berks Campus, Reading, Pennsylvania 19610 (United States)

    2016-07-21

    Inelastic scattering computations are presented for collisions of vibrationally and rotationally excited CO with H{sub 2} in full dimension. The computations utilize a newly developed six-dimensional potential energy surface (PES) and the previously reported four-dimensional V12 PES [P. Jankowski et al., J. Chem. Phys. 138, 084307 (2013)] and incorporate full angular-momentum coupling. At low collision energies, pure rotational excitation cross sections of CO by para-, ortho-, and normal-H{sub 2} are calculated and convolved to compare with recent measurements. Good agreement with the measured data is shown except for j{sub 1} = 0 → 1 excitation of CO for very low-energy para-H{sub 2} collisions. Rovibrational quenching results are presented for initially excited CO(v{sub 1}j{sub 1}) levels with v{sub 1} = 1, j{sub 1} = 1–5 and v{sub 1} = 2, j{sub 1} = 0 for collisions with para-H{sub 2} (v{sub 2} = 0, j{sub 2} = 0) and ortho-H{sub 2} (v{sub 2} = 0, j{sub 2} = 1) over the kinetic energy range 0.1–1000 cm{sup −1}. The total quenching cross sections are found to have similar magnitudes, but increase (decrease) with j{sub 1} for collision energies above ∼300 cm{sup −1} (below ∼10 cm{sup −1}). Only minor differences are found between para- and ortho-H{sub 2} colliders for rovibrational and pure rotational transitions, except at very low collision energies. Likewise, pure rotational deexcitation of CO yields similar cross sections for the v{sub 1} = 0 and v{sub 1} = 1 vibrational levels, while rovibrational quenching from v{sub 1} = 2, j{sub 1} = 0 is a factor of ∼5 larger than that from v{sub 1} = 1, j{sub 1} = 0. Details on the PES, computed at the CCSD(T)/aug-cc-pV5Z level, and fitted with an invariant polynomial method, are also presented.

  7. Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. II. Infrared spectrum and vibrational dynamics

    DEFF Research Database (Denmark)

    Vendrell, Oriol; Gatti, Fabien; Meyer, Hans-Dieter

    2007-01-01

    The infrared absorption spectrum of the protonated water dimer (H5O2+) is simulated in full dimensionality (15 dimensional) in the spectral range of 0-4000 cm(-1). The calculations are performed using the multiconfiguration time-dependent Hartree (MCTDH) method for propagation of wavepackets. All...

  8. Mode specific dynamics of the H2 + CH3 → H + CH4 reaction studied using quasi-classical trajectory and eight-dimensional quantum dynamics methods

    International Nuclear Information System (INIS)

    Wang, Yan; Li, Jun; Guo, Hua; Chen, Liuyang; Yang, Minghui; Lu, Yunpeng

    2015-01-01

    An eight-dimensional quantum dynamical model is proposed and applied to the title reaction. The reaction probabilities and integral cross sections have been determined for both the ground and excited vibrational states of the two reactants. The results indicate that the H 2 stretching and CH 3 umbrella modes, along with the translational energy, strongly promote the reactivity, while the CH 3 symmetric stretching mode has a negligible effect. The observed mode specificity is confirmed by full-dimensional quasi-classical trajectory calculations. The mode specificity can be interpreted by the recently proposed sudden vector projection model, which attributes the enhancement effects of the reactant modes to their strong couplings with the reaction coordinate at the transition state

  9. Quantum dynamical entropy revisited

    International Nuclear Information System (INIS)

    Hudetz, T.

    1996-10-01

    We define a new quantum dynamical entropy, which is a 'hybrid' of the closely related, physically oriented entropy introduced by Alicki and Fannes in 1994, and of the mathematically well-developed, single-argument entropy introduced by Connes, Narnhofer and Thirring in 1987. We show that this new quantum dynamical entropy has many properties similar to the ones of the Alicki-Fannes entropy, and also inherits some additional properties from the CNT entropy. In particular, the 'hybrid' entropy interpolates between the two different ways in which both the AF and the CNT entropy of the shift automorphism on the quantum spin chain agree with the usual quantum entropy density, resulting in even better agreement. Also, the new quantum dynamical entropy generalizes the classical dynamical entropy of Kolmogorov and Sinai in the same way as does the AF entropy. Finally, we estimate the 'hybrid' entropy both for the Powers-Price shift systems and for the noncommutative Arnold map on the irrational rotation C * -algebra, leaving some interesting open problems. (author)

  10. Engineering quantum dynamics

    International Nuclear Information System (INIS)

    Lloyd, Seth; Viola, Lorenza

    2002-01-01

    The ability to perform measurements on a quantum system, combined with the ability to feed back the measurement results via coherent control, allows one to control the system to follow any desired coherent or incoherent quantum dynamics. Such universal dynamical control can be achieved, in principle, through the repeated application of only two coherent control operations and a simple 'Yes-No' measurement. As a consequence, a quantum computer can simulate an arbitrary open-system dynamics using just one qubit more than required to simulate closed-system dynamics

  11. Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water-dimer III: Mixed Jacobi-valence parametrization and benchmark results for the zero point energy, vibrationally excited states, and infrared spectrum.

    Science.gov (United States)

    Vendrell, Oriol; Brill, Michael; Gatti, Fabien; Lauvergnat, David; Meyer, Hans-Dieter

    2009-06-21

    Quantum dynamical calculations are reported for the zero point energy, several low-lying vibrational states, and the infrared spectrum of the H(5)O(2)(+) cation. The calculations are performed by the multiconfiguration time-dependent Hartree (MCTDH) method. A new vector parametrization based on a mixed Jacobi-valence description of the system is presented. With this parametrization the potential energy surface coupling is reduced with respect to a full Jacobi description, providing a better convergence of the n-mode representation of the potential. However, new coupling terms appear in the kinetic energy operator. These terms are derived and discussed. A mode-combination scheme based on six combined coordinates is used, and the representation of the 15-dimensional potential in terms of a six-combined mode cluster expansion including up to some 7-dimensional grids is discussed. A statistical analysis of the accuracy of the n-mode representation of the potential at all orders is performed. Benchmark, fully converged results are reported for the zero point energy, which lie within the statistical uncertainty of the reference diffusion Monte Carlo result for this system. Some low-lying vibrationally excited eigenstates are computed by block improved relaxation, illustrating the applicability of the approach to large systems. Benchmark calculations of the linear infrared spectrum are provided, and convergence with increasing size of the time-dependent basis and as a function of the order of the n-mode representation is studied. The calculations presented here make use of recent developments in the parallel version of the MCTDH code, which are briefly discussed. We also show that the infrared spectrum can be computed, to a very good approximation, within D(2d) symmetry, instead of the G(16) symmetry used before, in which the complete rotation of one water molecule with respect to the other is allowed, thus simplifying the dynamical problem.

  12. Intermediate spectral theory and quantum dynamics

    CERN Document Server

    de Oliveira, Cesar R

    2008-01-01

    The spectral theory of linear operators plays a key role in the mathematical formulation of quantum theory. Furthermore, such a rigorous mathematical foundation leads to a more profound insight into the nature of quantum mechanics. This textbook provides a concise and comprehensible introduction to the spectral theory of (unbounded) self-adjoint operators and its application in quantum dynamics. The book places emphasis on the symbiotic relationship of these two domains by (1) presenting the basic mathematics of nonrelativistic quantum mechanics of one particle, i.e., developing the spectral theory of self-adjoint operators in infinite-dimensional Hilbert spaces from the beginning, and (2) giving an overview of many of the basic functional aspects of quantum theory, from its physical principles to the mathematical models. The book is intended for graduate (or advanced undergraduate) students and researchers interested in mathematical physics. It starts with linear operator theory, spectral questions and self-...

  13. Symmetry of intramolecular quantum dynamics

    CERN Document Server

    Burenin, Alexander V

    2012-01-01

    The main goal of this book is to give a systematic description of intramolecular quantum dynamics on the basis of only the symmetry principles. In this respect, the book has no analogs in the world literature. The obtained models lead to a simple, purely algebraic, scheme of calculation and are rigorous in the sense that their correctness is limited only to the correct choice of symmetry of the internal dynamics. The book is basically intended for scientists working in the field of molecular spectroscopy, quantum and structural chemistry.

  14. Quantum dynamics of quantum bits

    International Nuclear Information System (INIS)

    Nguyen, Bich Ha

    2011-01-01

    The theory of coherent oscillations of the matrix elements of the density matrix of the two-state system as a quantum bit is presented. Different calculation methods are elaborated in the case of a free quantum bit. Then the most appropriate methods are applied to the study of the density matrices of the quantum bits interacting with a classical pumping radiation field as well as with the quantum electromagnetic field in a single-mode microcavity. The theory of decoherence of a quantum bit in Markovian approximation is presented. The decoherence of a quantum bit interacting with monoenergetic photons in a microcavity is also discussed. The content of the present work can be considered as an introduction to the study of the quantum dynamics of quantum bits. (review)

  15. Langevin formulation of quantum dynamics

    International Nuclear Information System (INIS)

    Roncadelli, M.

    1989-03-01

    We first show that nonrelativistic quantum mechanics formulated at imaginary-(h/2 π) can formally be viewed as the Fokker-Planck description of a frictionless brownian motion, which occurs (in general) in an absorbing medium. We next offer a new formulation of quantum mechanics, which is basically the Langevin treatment of this brownian motion. Explicitly, we derive a noise-average representation for the transition probability W(X'',t''|X',t'), in terms of the solutions to a Langevin equation with a Gaussian white-noise. Upon analytic continuation back to real-(h/2 π),W(X'',t''|X',t') becomes the propagator of the original Schroedinger equation. Our approach allows for a straightforward application to quantum dynamical problems of the mathematical techniques of classical stochastic processes. Moreover, computer simulations of quantum mechanical systems can be carried out by using numerical programs based on the Langevin dynamics. (author). 19 refs, 1 tab

  16. Quantum Dynamics in Biological Systems

    Science.gov (United States)

    Shim, Sangwoo

    In the first part of this dissertation, recent efforts to understand quantum mechanical effects in biological systems are discussed. Especially, long-lived quantum coherences observed during the electronic energy transfer process in the Fenna-Matthews-Olson complex at physiological condition are studied extensively using theories of open quantum systems. In addition to the usual master equation based approaches, the effect of the protein structure is investigated in atomistic detail through the combined application of quantum chemistry and molecular dynamics simulations. To evaluate the thermalized reduced density matrix, a path-integral Monte Carlo method with a novel importance sampling approach is developed for excitons coupled to an arbitrary phonon bath at a finite temperature. In the second part of the thesis, simulations of molecular systems and applications to vibrational spectra are discussed. First, the quantum dynamics of a molecule is simulated by combining semiclassical initial value representation and density funcitonal theory with analytic derivatives. A computationally-tractable approximation to the sum-of-states formalism of Raman spectra is subsequently discussed.

  17. Quantum dynamical semigroups and approach to equilibrium

    International Nuclear Information System (INIS)

    Frigerio, A.

    1977-01-01

    For a quantum dynamical semigroup possessing a faithful normal stationary state, some conditions are discussed, which ensure the uniqueness of the equilibrium state and/or the approach to equilibrium for arbitrary initial condition. (Auth.)

  18. Dissipative quantum dynamics and nonlinear sigma-model

    International Nuclear Information System (INIS)

    Tarasov, V.E.

    1992-01-01

    Sedov variational principle which is the generalization of the least action principle for the dissipative and irreversible processes and the classical dissipative mechanics in the phase space is considered. Quantum dynamics for the dissipative and irreversible processes is constructed. As an example of the dissipative quantum theory the nonlinear two-dimensional sigma-model is considered. The conformal anomaly of the energy momentum tensor trace for closed bosonic string on the affine-metric manifold is investigated. The two-loop metric beta-function for nonlinear dissipative sigma-model was calculated. The results are compared with the ultraviolet two-loop conterterms for affine-metric sigma model. 71 refs

  19. 7 CFR 15d.2 - Discrimination prohibited.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 1 2010-01-01 2010-01-01 false Discrimination prohibited. 15d.2 Section 15d.2... THE UNITED STATES DEPARTMENT OF AGRICULTURE § 15d.2 Discrimination prohibited. (a) No agency, officer... participation in, deny the benefits of, or subject to discrimination any person in the United States under any...

  20. Controllable Subspaces of Open Quantum Dynamical Systems

    International Nuclear Information System (INIS)

    Zhang Ming; Gong Erling; Xie Hongwei; Hu Dewen; Dai Hongyi

    2008-01-01

    This paper discusses the concept of controllable subspace for open quantum dynamical systems. It is constructively demonstrated that combining structural features of decoherence-free subspaces with the ability to perform open-loop coherent control on open quantum systems will allow decoherence-free subspaces to be controllable. This is in contrast to the observation that open quantum dynamical systems are not open-loop controllable. To a certain extent, this paper gives an alternative control theoretical interpretation on why decoherence-free subspaces can be useful for quantum computation.

  1. Quantum dynamical phenomena of independent electrons in semiconductor superlattices subject to a uniform electric field

    International Nuclear Information System (INIS)

    Bouchard, A.M.

    1994-01-01

    This report discusses the following topics: Bloch oscillations and other dynamical phenomena of electrons in semiconductor superlattices; solvable dynamical model of an electron in a one-dimensional aperiodic lattice subject to a uniform electric field; and quantum dynamical phenomena of electrons in aperiodic semiconductor superlattices

  2. Logical entropy of quantum dynamical systems

    Directory of Open Access Journals (Sweden)

    Ebrahimzadeh Abolfazl

    2016-01-01

    Full Text Available This paper introduces the concepts of logical entropy and conditional logical entropy of hnite partitions on a quantum logic. Some of their ergodic properties are presented. Also logical entropy of a quantum dynamical system is dehned and ergodic properties of dynamical systems on a quantum logic are investigated. Finally, the version of Kolmogorov-Sinai theorem is proved.

  3. Quantumness-generating capability of quantum dynamics

    Science.gov (United States)

    Li, Nan; Luo, Shunlong; Mao, Yuanyuan

    2018-04-01

    We study quantumness-generating capability of quantum dynamics, where quantumness refers to the noncommutativity between the initial state and the evolving state. In terms of the commutator of the square roots of the initial state and the evolving state, we define a measure to quantify the quantumness-generating capability of quantum dynamics with respect to initial states. Quantumness-generating capability is absent in classical dynamics and hence is a fundamental characteristic of quantum dynamics. For qubit systems, we present an analytical form for this measure, by virtue of which we analyze several prototypical dynamics such as unitary dynamics, phase damping dynamics, amplitude damping dynamics, and random unitary dynamics (Pauli channels). Necessary and sufficient conditions for the monotonicity of quantumness-generating capability are also identified. Finally, we compare these conditions for the monotonicity of quantumness-generating capability with those for various Markovianities and illustrate that quantumness-generating capability and quantum Markovianity are closely related, although they capture different aspects of quantum dynamics.

  4. Molecular quantum dynamics. From theory to applications

    International Nuclear Information System (INIS)

    Gatti, Fabien

    2014-01-01

    An educational and accessible introduction to the field of molecular quantum dynamics. Illustrates the importance of the topic for broad areas of science: from astrophysics and the physics of the atmosphere, over elementary processes in chemistry, to biological processes. Presents chosen examples of striking applications, highlighting success stories, summarized by the internationally renowned experts. Including a foreword by Lorenz Cederbaum (University Heidelberg, Germany). This book focuses on current applications of molecular quantum dynamics. Examples from all main subjects in the field, presented by the internationally renowned experts, illustrate the importance of the domain. Recent success in helping to understand experimental observations in fields like heterogeneous catalysis, photochemistry, reactive scattering, optical spectroscopy, or femto- and attosecond chemistry and spectroscopy underline that nuclear quantum mechanical effects affect many areas of chemical and physical research. In contrast to standard quantum chemistry calculations, where the nuclei are treated classically, molecular quantum dynamics can cover quantum mechanical effects in their motion. Many examples, ranging from fundamental to applied problems, are known today that are impacted by nuclear quantum mechanical effects, including phenomena like tunneling, zero point energy effects, or non-adiabatic transitions. Being important to correctly understand many observations in chemical, organic and biological systems, or for the understanding of molecular spectroscopy, the range of applications covered in this book comprises broad areas of science: from astrophysics and the physics and chemistry of the atmosphere, over elementary processes in chemistry, to biological processes (such as the first steps of photosynthesis or vision). Nevertheless, many researchers refrain from entering this domain. The book ''Molecular Quantum Dynamics'' offers them an accessible introduction. Although the

  5. Molecular quantum dynamics. From theory to applications

    Energy Technology Data Exchange (ETDEWEB)

    Gatti, Fabien (ed.) [Montpellier 2 Univ. (France). Inst. Charles Gerhardt - CNRS 5253

    2014-09-01

    An educational and accessible introduction to the field of molecular quantum dynamics. Illustrates the importance of the topic for broad areas of science: from astrophysics and the physics of the atmosphere, over elementary processes in chemistry, to biological processes. Presents chosen examples of striking applications, highlighting success stories, summarized by the internationally renowned experts. Including a foreword by Lorenz Cederbaum (University Heidelberg, Germany). This book focuses on current applications of molecular quantum dynamics. Examples from all main subjects in the field, presented by the internationally renowned experts, illustrate the importance of the domain. Recent success in helping to understand experimental observations in fields like heterogeneous catalysis, photochemistry, reactive scattering, optical spectroscopy, or femto- and attosecond chemistry and spectroscopy underline that nuclear quantum mechanical effects affect many areas of chemical and physical research. In contrast to standard quantum chemistry calculations, where the nuclei are treated classically, molecular quantum dynamics can cover quantum mechanical effects in their motion. Many examples, ranging from fundamental to applied problems, are known today that are impacted by nuclear quantum mechanical effects, including phenomena like tunneling, zero point energy effects, or non-adiabatic transitions. Being important to correctly understand many observations in chemical, organic and biological systems, or for the understanding of molecular spectroscopy, the range of applications covered in this book comprises broad areas of science: from astrophysics and the physics and chemistry of the atmosphere, over elementary processes in chemistry, to biological processes (such as the first steps of photosynthesis or vision). Nevertheless, many researchers refrain from entering this domain. The book ''Molecular Quantum Dynamics'' offers them an accessible

  6. Measure theoretical approach to recurrent properties for quantum dynamics

    International Nuclear Information System (INIS)

    Otobe, Yoshiki; Sasaki, Itaru

    2011-01-01

    Poincaré's recurrence theorem, which states that every Hamiltonian dynamics enclosed in a finite volume returns to its initial position as close as one wishes, is a mathematical basis of statistical mechanics. It is Liouville's theorem that guarantees that the dynamics preserves the volume on the state space. A quantum version of Poincaré's theorem was obtained in the middle of the 20th century without any volume structures of the state space (Hilbert space). One of our aims in this paper is to establish such properties of quantum dynamics from an analog of Liouville's theorem, namely, we will construct a natural probability measure on the Hilbert space from a Hamiltonian defined on the space. Then we will show that the measure is invariant under the corresponding Schrödinger flow. Moreover, we show that the dynamics naturally causes an infinite-dimensional Weyl transformation. It also enables us to discuss the ergodic properties of such dynamics. (paper)

  7. Adaptive resummation of Markovian quantum dynamics

    International Nuclear Information System (INIS)

    Lucas, Felix

    2014-01-01

    In this thesis we derive a highly convergent, nonperturbative expansion of Markovian open quantum dynamics. It is based on a splitting of the incoherent dynamics into periods of continuous evolution and abrupt jumps and attains its favorable convergence properties from an adaptive resummation of this so-called jump expansion. By means of the long-standing problems of spatial particle detection and Landau-Zener tunneling in the presence of dephasing, we show that this adaptive resummation technique facilitates new highly accurate analytic approximations of Markovian open systems. The open Landau-Zener model leads us to propose an efficient and robust incoherent control technique for the isomerization reaction of the visual pigment protein rhodopsin. Besides leading to approximate analytic descriptions of Markovian open quantum dynamics, the adaptive resummation of the jump expansion implies an efficient numerical simulation method. We spell out the corresponding numerical algorithm by means of Monte Carlo integration of the relevant terms in the jump expansion and demonstrate it in a set of paradigmatic open quantum systems.

  8. Quantum dynamic imaging theoretical and numerical methods

    CERN Document Server

    Ivanov, Misha

    2011-01-01

    Studying and using light or "photons" to image and then to control and transmit molecular information is among the most challenging and significant research fields to emerge in recent years. One of the fastest growing areas involves research in the temporal imaging of quantum phenomena, ranging from molecular dynamics in the femto (10-15s) time regime for atomic motion to the atto (10-18s) time scale of electron motion. In fact, the attosecond "revolution" is now recognized as one of the most important recent breakthroughs and innovations in the science of the 21st century. A major participant in the development of ultrafast femto and attosecond temporal imaging of molecular quantum phenomena has been theory and numerical simulation of the nonlinear, non-perturbative response of atoms and molecules to ultrashort laser pulses. Therefore, imaging quantum dynamics is a new frontier of science requiring advanced mathematical approaches for analyzing and solving spatial and temporal multidimensional partial differ...

  9. Quantum dynamics modeled by interacting trajectories

    Science.gov (United States)

    Cruz-Rodríguez, L.; Uranga-Piña, L.; Martínez-Mesa, A.; Meier, C.

    2018-03-01

    We present quantum dynamical simulations based on the propagation of interacting trajectories where the effect of the quantum potential is mimicked by effective pseudo-particle interactions. The method is applied to several quantum systems, both for bound and scattering problems. For the bound systems, the quantum ground state density and zero point energy are shown to be perfectly obtained by the interacting trajectories. In the case of time-dependent quantum scattering, the Eckart barrier and uphill ramp are considered, with transmission coefficients in very good agreement with standard quantum calculations. Finally, we show that via wave function synthesis along the trajectories, correlation functions and energy spectra can be obtained based on the dynamics of interacting trajectories.

  10. Simulation of quantum dynamics with integrated photonics

    Science.gov (United States)

    Sansoni, Linda; Sciarrino, Fabio; Mataloni, Paolo; Crespi, Andrea; Ramponi, Roberta; Osellame, Roberto

    2012-12-01

    In recent years, quantum walks have been proposed as promising resources for the simulation of physical quantum systems. In fact it is widely adopted to simulate quantum dynamics. Up to now single particle quantum walks have been experimentally demonstrated by different approaches, while only few experiments involving many-particle quantum walks have been realized. Here we simulate the 2-particle dynamics on a discrete time quantum walk, built on an array of integrated waveguide beam splitters. The polarization independence of the quantum walk circuit allowed us to exploit the polarization entanglement to encode the symmetry of the two-photon wavefunction, thus the bunching-antibunching behavior of non interacting bosons and fermions has been simulated. We have also characterized the possible distinguishability and decoherence effects arising in such a structure. This study is necessary in view of the realization of a quantum simulator based on an integrated optical array built on a large number of beam splitters.

  11. Classical and quantum dynamics of a kicked relativistic particle in a box

    Science.gov (United States)

    Yusupov, J. R.; Otajanov, D. M.; Eshniyazov, V. E.; Matrasulov, D. U.

    2018-03-01

    We study classical and quantum dynamics of a kicked relativistic particle confined in a one dimensional box. It is found that in classical case for chaotic motion the average kinetic energy grows in time, while for mixed regime the growth is suppressed. However, in case of regular motion energy fluctuates around certain value. Quantum dynamics is treated by solving the time-dependent Dirac equation with delta-kicking potential, whose exact solution is obtained for single kicking period. In quantum case, depending on the values of the kicking parameters, the average kinetic energy can be quasi periodic, or fluctuating around some value. Particle transport is studied by considering spatio-temporal evolution of the Gaussian wave packet and by analyzing the trembling motion.

  12. Direct Quantum Dynamics Using Grid-Based Wave Function Propagation and Machine-Learned Potential Energy Surfaces.

    Science.gov (United States)

    Richings, Gareth W; Habershon, Scott

    2017-09-12

    We describe a method for performing nuclear quantum dynamics calculations using standard, grid-based algorithms, including the multiconfiguration time-dependent Hartree (MCTDH) method, where the potential energy surface (PES) is calculated "on-the-fly". The method of Gaussian process regression (GPR) is used to construct a global representation of the PES using values of the energy at points distributed in molecular configuration space during the course of the wavepacket propagation. We demonstrate this direct dynamics approach for both an analytical PES function describing 3-dimensional proton transfer dynamics in malonaldehyde and for 2- and 6-dimensional quantum dynamics simulations of proton transfer in salicylaldimine. In the case of salicylaldimine we also perform calculations in which the PES is constructed using Hartree-Fock calculations through an interface to an ab initio electronic structure code. In all cases, the results of the quantum dynamics simulations are in excellent agreement with previous simulations of both systems yet do not require prior fitting of a PES at any stage. Our approach (implemented in a development version of the Quantics package) opens a route to performing accurate quantum dynamics simulations via wave function propagation of many-dimensional molecular systems in a direct and efficient manner.

  13. Coherent quantum dynamics of excitons in monolayer transition metal dichalcogenides

    KAUST Repository

    Moody, Galan

    2016-03-14

    Transition metal dichalcogenides (TMDs) have garnered considerable interest in recent years owing to their layer thickness-dependent optoelectronic properties. In monolayer TMDs, the large carrier effective masses, strong quantum confinement, and reduced dielectric screening lead to pronounced exciton resonances with remarkably large binding energies and coupled spin and valley degrees of freedom (valley excitons). Coherent control of valley excitons for atomically thin optoelectronics and valleytronics requires understanding and quantifying sources of exciton decoherence. In this work, we reveal how exciton-exciton and exciton-phonon scattering influence the coherent quantum dynamics of valley excitons in monolayer TMDs, specifically tungsten diselenide (WSe2), using two-dimensional coherent spectroscopy. Excitation-density and temperature dependent measurements of the homogeneous linewidth (inversely proportional to the optical coherence time) reveal that exciton-exciton and exciton-phonon interactions are significantly stronger compared to quasi-2D quantum wells and 3D bulk materials. The residual homogeneous linewidth extrapolated to zero excitation density and temperature is ~1:6 meV (equivalent to a coherence time of 0.4 ps), which is limited only by the population recombination lifetime in this sample. © (2016) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.

  14. Measure theoretical approach to recurrent properties for quantum dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Otobe, Yoshiki [Department of Mathematical Sciences, Shinshu University, Asahi 3-1-1, Matsumoto 390-8621 (Japan); Sasaki, Itaru, E-mail: otobe@math.shinshu-u.ac.jp, E-mail: isasaki@shinshu-u.ac.jp [Fiber-Nanotech Young Researcher Empowerment Center, Shinshu University, Asahi 3-1-1, Matsumoto 390-8621 (Japan)

    2011-11-18

    Poincare's recurrence theorem, which states that every Hamiltonian dynamics enclosed in a finite volume returns to its initial position as close as one wishes, is a mathematical basis of statistical mechanics. It is Liouville's theorem that guarantees that the dynamics preserves the volume on the state space. A quantum version of Poincare's theorem was obtained in the middle of the 20th century without any volume structures of the state space (Hilbert space). One of our aims in this paper is to establish such properties of quantum dynamics from an analog of Liouville's theorem, namely, we will construct a natural probability measure on the Hilbert space from a Hamiltonian defined on the space. Then we will show that the measure is invariant under the corresponding Schroedinger flow. Moreover, we show that the dynamics naturally causes an infinite-dimensional Weyl transformation. It also enables us to discuss the ergodic properties of such dynamics. (paper)

  15. Coherent quantum dynamics of excitons in monolayer transition metal dichalcogenides

    KAUST Repository

    Moody, Galan; Hao, Kai; Dass, Chandriker Kavir; Singh, Akshay; Xu, Lixiang; Tran, Kha; Chen, Chang-Hsiao; Li, Ming-yang; Li, Lain-Jong; Clark, Genevieve; Bergh ä user, Gunnar; Malic, Ermin; Knorr, Andreas; Xu, Xiaodong; Li, Xiaoqin

    2016-01-01

    Transition metal dichalcogenides (TMDs) have garnered considerable interest in recent years owing to their layer thickness-dependent optoelectronic properties. In monolayer TMDs, the large carrier effective masses, strong quantum confinement, and reduced dielectric screening lead to pronounced exciton resonances with remarkably large binding energies and coupled spin and valley degrees of freedom (valley excitons). Coherent control of valley excitons for atomically thin optoelectronics and valleytronics requires understanding and quantifying sources of exciton decoherence. In this work, we reveal how exciton-exciton and exciton-phonon scattering influence the coherent quantum dynamics of valley excitons in monolayer TMDs, specifically tungsten diselenide (WSe2), using two-dimensional coherent spectroscopy. Excitation-density and temperature dependent measurements of the homogeneous linewidth (inversely proportional to the optical coherence time) reveal that exciton-exciton and exciton-phonon interactions are significantly stronger compared to quasi-2D quantum wells and 3D bulk materials. The residual homogeneous linewidth extrapolated to zero excitation density and temperature is ~1:6 meV (equivalent to a coherence time of 0.4 ps), which is limited only by the population recombination lifetime in this sample. © (2016) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.

  16. Role of controllability in optimizing quantum dynamics

    International Nuclear Information System (INIS)

    Wu Rebing; Hsieh, Michael A.; Rabitz, Herschel

    2011-01-01

    This paper reveals an important role that controllability plays in the complexity of optimizing quantum control dynamics. We show that the loss of controllability generally leads to multiple locally suboptimal controls when gate fidelity in a quantum control system is maximized, which does not happen if the system is controllable. Such local suboptimal controls may attract an optimization algorithm into a local trap when a global optimal solution is sought, even if the target gate can be perfectly realized. This conclusion results from an analysis of the critical topology of the corresponding quantum control landscape, which refers to the gate fidelity objective as a functional of the control fields. For uncontrollable systems, due to SU(2) and SU(3) dynamical symmetries, the control landscape corresponding to an implementable target gate is proven to possess multiple locally optimal critical points, and its ruggedness can be further increased if the target gate is not realizable. These results imply that the optimization of quantum dynamics can be seriously impeded when operating with local search algorithms under these conditions, and thus full controllability is demanded.

  17. Quantum dynamics and breakdown of classical realism in nonlinear oscillators

    International Nuclear Information System (INIS)

    Gat, Omri

    2007-01-01

    The leading nonclassical term in the quantum dynamics of nonlinear oscillators is calculated in the Moyal quasi-trajectory representation. The irreducibility of the quantum dynamics to phase-space trajectories is quantified by the discrepancy of the canonical quasi-flow and the quasi-flow of a general observable. This discrepancy is shown to imply the breakdown of classical realism that can give rise to a dynamical violation of Bell's inequalities. (fast track communication)

  18. Note on transmitted complexity for quantum dynamical systems

    Science.gov (United States)

    Watanabe, Noboru; Muto, Masahiro

    2017-10-01

    Transmitted complexity (mutual entropy) is one of the important measures for quantum information theory developed recently in several ways. We will review the fundamental concepts of the Kossakowski, Ohya and Watanabe entropy and define a transmitted complexity for quantum dynamical systems. This article is part of the themed issue `Second quantum revolution: foundational questions'.

  19. A quantum dynamics study of the benzopyran ring opening guided by laser pulses

    Science.gov (United States)

    Saab, Mohamad; Doriol, Loïc Joubert; Lasorne, Benjamin; Guérin, Stéphane; Gatti, Fabien

    2014-10-01

    The ring-opening photoisomerization of benzopyran, which occurs via a photochemical route involving a conical intersection, has been studied with quantum dynamics calculations using the multi-configuration time-dependent Hartree method (MCTDH). We introduce a mechanistic strategy to control the conversion of benzopyran to merocyanine with laser pulses. We use a six-dimensional model developed in a previous work for the potential energy surfaces (PES) based on an extension of the vibronic-coupling Hamiltonian model (diabatization method by ansatz), which depends on the most active degrees of freedom. The main objective of these quantum dynamics simulations is to provide a set of strategies that could help experimentalists to control the photoreactivity vs. photostability ratio (selectivity). In this work we present: (i) a pump-dump technique used to control the photostability, (ii) a two-step strategy to enhance the reactivity of the system: first, a pure vibrational excitation in the electronic ground state that prepares the system and, second, an ultraviolet excitation that brings the system to the first adiabatic electronic state; (iii) finally the effect of a non-resonant pulse (Stark effect) on the dynamics.

  20. Tensor-Train Split-Operator Fourier Transform (TT-SOFT) Method: Multidimensional Nonadiabatic Quantum Dynamics.

    Science.gov (United States)

    Greene, Samuel M; Batista, Victor S

    2017-09-12

    We introduce the "tensor-train split-operator Fourier transform" (TT-SOFT) method for simulations of multidimensional nonadiabatic quantum dynamics. TT-SOFT is essentially the grid-based SOFT method implemented in dynamically adaptive tensor-train representations. In the same spirit of all matrix product states, the tensor-train format enables the representation, propagation, and computation of observables of multidimensional wave functions in terms of the grid-based wavepacket tensor components, bypassing the need of actually computing the wave function in its full-rank tensor product grid space. We demonstrate the accuracy and efficiency of the TT-SOFT method as applied to propagation of 24-dimensional wave packets, describing the S 1 /S 2 interconversion dynamics of pyrazine after UV photoexcitation to the S 2 state. Our results show that the TT-SOFT method is a powerful computational approach for simulations of quantum dynamics of polyatomic systems since it avoids the exponential scaling problem of full-rank grid-based representations.

  1. Phase space approach to quantum dynamics

    International Nuclear Information System (INIS)

    Leboeuf, P.

    1991-03-01

    The Schroedinger equation for the time propagation of states of a quantised two-dimensional spherical phase space is replaced by the dynamics of a system of N particles lying in phase space. This is done through factorization formulae of analytic function theory arising in coherent-state representation, the 'particles' being the zeros of the quantum state. For linear Hamiltonians, like a spin in a uniform magnetic field, the motion of the particles is classical. However, non-linear terms induce interactions between the particles. Their time propagation is studied and it is shown that, contrary to integrable systems, for chaotic maps they tend to fill, as their classical counterpart, the whole phase space. (author) 13 refs., 3 figs

  2. Quantum dynamics of a strongly driven Josephson Junction

    Energy Technology Data Exchange (ETDEWEB)

    Gosner, Jennifer; Kubala, Bjoern; Ankerhold, Joachim [Institute for Complex Quantum Systems, University of Ulm (Germany)

    2015-07-01

    A Josephson Junction embedded in a dissipative circuit can be driven to exhibit non-linear oscillations. Classically the non-linear oscillator shows under sufficient strong driving and weak damping dynamical bifurcations and a bistable region similar to the conventional Duffing-oscillator. These features depend sensitively on initial conditions and parameters. The sensitivity of this circuit, called Josephson Bifurcation Amplifier, can be used to amplify an incoming signal, to form a sensing device or even for measuring a quantum system. The quantum dynamics can be described by a dissipative Lindblad master equation. Signatures of the classical bifurcation phenomena appear in the Wigner representation, used to characterize and visualize the resulting behaviour. In order to compare this quantum dynamics to that of the conventional Duffing-oscillator, the complete cosine-nonlinearity of the Josephson Junction is kept for the quantum description while going into a rotating frame.

  3. Single-Particle Quantum Dynamics in a Magnetic Lattice

    Energy Technology Data Exchange (ETDEWEB)

    Venturini, Marco

    2001-02-01

    We study the quantum dynamics of a spinless charged-particle propagating through a magnetic lattice in a transport line or storage ring. Starting from the Klein-Gordon equation and by applying the paraxial approximation, we derive a Schroedinger-like equation for the betatron motion. A suitable unitary transformation reduces the problem to that of a simple harmonic oscillator. As a result we are able to find an explicit expression for the particle wavefunction.

  4. Fundamental limits on quantum dynamics based on entropy change

    Science.gov (United States)

    Das, Siddhartha; Khatri, Sumeet; Siopsis, George; Wilde, Mark M.

    2018-01-01

    It is well known in the realm of quantum mechanics and information theory that the entropy is non-decreasing for the class of unital physical processes. However, in general, the entropy does not exhibit monotonic behavior. This has restricted the use of entropy change in characterizing evolution processes. Recently, a lower bound on the entropy change was provided in the work of Buscemi, Das, and Wilde [Phys. Rev. A 93(6), 062314 (2016)]. We explore the limit that this bound places on the physical evolution of a quantum system and discuss how these limits can be used as witnesses to characterize quantum dynamics. In particular, we derive a lower limit on the rate of entropy change for memoryless quantum dynamics, and we argue that it provides a witness of non-unitality. This limit on the rate of entropy change leads to definitions of several witnesses for testing memory effects in quantum dynamics. Furthermore, from the aforementioned lower bound on entropy change, we obtain a measure of non-unitarity for unital evolutions.

  5. Nonadiabatic quantum dynamics and laser control of Br2 in solid argon.

    Science.gov (United States)

    Accardi, A; Borowski, A; Kühn, O

    2009-07-02

    A five-dimensional reaction surface-vibronic coupling model is introduced to describe the B- to C-state predissociation dynamics of Br(2) occupying a double substitutional lattice site in a face-centered cubic argon crystal at low temperatures. The quantum dynamics driven by a Franck-Condon vertical excitation is investigated, revealing the role of matrix cage compression for efficient nonadiabatic transitions. Vibrational preexcitation of the Br(2) bond in the electronic ground state can be used to access a different regime of predissociation which does not require substantial matrix compression because the Franck-Condon window shifts into the energetic range of the B-C level crossing. Using optimal control theory, it is shown how vibrational preexcitation can be achieved via a pump-dump-type mechanism involving the repulsive C state.

  6. Classical and quantum dynamics from classical paths to path integrals

    CERN Document Server

    Dittrich, Walter

    2016-01-01

    Graduate students who want to become familiar with advanced computational strategies in classical and quantum dynamics will find here both the fundamentals of a standard course and a detailed treatment of the time-dependent oscillator, Chern-Simons mechanics, the Maslov anomaly and the Berry phase, to name a few. Well-chosen and detailed examples illustrate the perturbation theory, canonical transformations, the action principle and demonstrate the usage of path integrals. This new edition has been revised and enlarged with chapters on quantum electrodynamics, high energy physics, Green’s functions and strong interaction.

  7. Finite difference evolution equations and quantum dynamical semigroups

    International Nuclear Information System (INIS)

    Ghirardi, G.C.; Weber, T.

    1983-12-01

    We consider the recently proposed [Bonifacio, Lett. Nuovo Cimento, 37, 481 (1983)] coarse grained description of time evolution for the density operator rho(t) through a finite difference equation with steps tau, and we prove that there exists a generator of the quantum dynamical semigroup type yielding an equation giving a continuous evolution coinciding at all time steps with the one induced by the coarse grained description. The map rho(0)→rho(t) derived in this way takes the standard form originally proposed by Lindblad [Comm. Math. Phys., 48, 119 (1976)], even when the map itself (and, therefore, the corresponding generator) is not bounded. (author)

  8. Noninertial effects on the quantum dynamics of scalar bosons

    International Nuclear Information System (INIS)

    Castro, Luis B.

    2016-01-01

    The noninertial effect of rotating frames on the quantum dynamics of scalar bosons embedded in the background of a cosmic string is considered. In this work, scalar bosons are described by the Duffin-Kemmer-Petiau (DKP) formalism. Considering the DKP oscillator in this background the combined effects of a rotating frames and cosmic string on the equation of motion, energy spectrum, and DKP spinor are analyzed and discussed in detail. Additionally, the effect of rotating frames on the scalar bosons' localization is studied. (orig.)

  9. On the quantum dynamical foundations of collision terms

    International Nuclear Information System (INIS)

    Nemes, M.C.; Toledo Piza, A.F.R. de

    1981-08-01

    Collision terms are non-unitary corrections usually added to mean field descriptions in order to describe dissipative effects. Derivations of collision terms usually include assumptions which lack an explicit connection with a fully quantum dynamical description. Quantum dynamical foundations of collision terms are examined: they are shown to reflect the dynamics of quantum correlations. A careful study of the non-unitary aspects of the evolution of quantum correlations leads naturally to an unambiguous definition of a collision term. This collision term is shown to obey a non-linear pre-master equation, whose derivation is fully quantum-mechanical. Moreover, it is shown that quantum correlations also yield an unitary correction to the mean field description, which could be absorbed in a suitable redefinition of the mean field. Formal expressions for these corrections are derived and their connection with memory effects exhibited explicitely. The typical time of evaluation of quantum correlations allows for an analytical expression for the 'lifetime of mean field descriptions'. Finally, a quantum mechanical point of view for 'irreversibility' in deep inelastic is discussed. (Author) [pt

  10. Quantum dynamical simulations of local field enhancement in metal nanoparticles.

    Science.gov (United States)

    Negre, Christian F A; Perassi, Eduardo M; Coronado, Eduardo A; Sánchez, Cristián G

    2013-03-27

    Field enhancements (Γ) around small Ag nanoparticles (NPs) are calculated using a quantum dynamical simulation formalism and the results are compared with electrodynamic simulations using the discrete dipole approximation (DDA) in order to address the important issue of the intrinsic atomistic structure of NPs. Quite remarkably, in both quantum and classical approaches the highest values of Γ are located in the same regions around single NPs. However, by introducing a complete atomistic description of the metallic NPs in optical simulations, a different pattern of the Γ distribution is obtained. Knowing the correct pattern of the Γ distribution around NPs is crucial for understanding the spectroscopic features of molecules inside hot spots. The enhancement produced by surface plasmon coupling is studied by using both approaches in NP dimers for different inter-particle distances. The results show that the trend of the variation of Γ versus inter-particle distance is different for classical and quantum simulations. This difference is explained in terms of a charge transfer mechanism that cannot be obtained with classical electrodynamics. Finally, time dependent distribution of the enhancement factor is simulated by introducing a time dependent field perturbation into the Hamiltonian, allowing an assessment of the localized surface plasmon resonance quantum dynamics.

  11. 17 CFR 240.15d-2 - Special financial report.

    Science.gov (United States)

    2010-04-01

    ... 17 Commodity and Securities Exchanges 3 2010-04-01 2010-04-01 false Special financial report. 240....15d-2 Special financial report. (a) If the registration statement under the Securities Act of 1933 did... registration statement, file a special report furnishing certified financial statements for such last full...

  12. Exponential spreading and singular behavior of quantum dynamics near hyperbolic points.

    Science.gov (United States)

    Iomin, A

    2013-05-01

    Quantum dynamics of a particle in the vicinity of a hyperbolic point is considered. Expectation values of dynamical variables are calculated, and the singular behavior is analyzed. Exponentially fast extension of quantum dynamics is obtained, and conditions for this realization are analyzed.

  13. Multi-arrangement quantum dynamics in 6D: cis-trans isomerization and 1,3-hydrogen transfer in HONO

    International Nuclear Information System (INIS)

    Luckhaus, David

    2004-01-01

    The overtone spectrum and wave packet dynamics of nitrous acid (HONO) are studied with a global six-dimensional potential energy function interpolated directly from density functional calculations together with the corresponding dipole hypersurfaces. The quantum dynamics for the cis-trans isomerization and the symmetric 1,3-hydrogen transfer are treated in full dimensionality in terms of the generalized Z-matrix discrete variable representation. For the quantum mechanical description of complicated rearrangements a new approach to multi-arrangement quantum dynamics is introduced and applied to the symmetric hydrogen exchange tunneling in cis-HONO. The cis-trans isomerization is found to be dominated by adiabatic barrier crossing with only minor tunneling contributions, but with pronounced mode selectivity. The OH-stretching overtones of trans-HONO are adiabatically almost completely separated from the OH torsional dynamics with extremely slow intramolecular energy redistribution. The 1,3-hydrogen transfer, by contrast, proceeds largely via coherent tunneling even significantly below the barrier. The process is clearly non-adiabatic (at least in terms of valence coordinates) but remains highly state specific. While the absorption spectrum of trans-HONO remains largely unaffected, OH-stretching overtones of cis-HONO (above the barrier between 2ν OH and 3ν OH ) decompose into highly fragmented absorption patterns with corresponding tunneling periods on the picosecond time scale

  14. The classical and quantum dynamics of molecular spins on graphene

    Science.gov (United States)

    Cervetti, Christian; Rettori, Angelo; Pini, Maria Gloria; Cornia, Andrea; Repollés, Ana; Luis, Fernando; Dressel, Martin; Rauschenbach, Stephan; Kern, Klaus; Burghard, Marko; Bogani, Lapo

    2016-02-01

    Controlling the dynamics of spins on surfaces is pivotal to the design of spintronic and quantum computing devices. Proposed schemes involve the interaction of spins with graphene to enable surface-state spintronics and electrical spin manipulation. However, the influence of the graphene environment on the spin systems has yet to be unravelled. Here we explore the spin-graphene interaction by studying the classical and quantum dynamics of molecular magnets on graphene. Whereas the static spin response remains unaltered, the quantum spin dynamics and associated selection rules are profoundly modulated. The couplings to graphene phonons, to other spins, and to Dirac fermions are quantified using a newly developed model. Coupling to Dirac electrons introduces a dominant quantum relaxation channel that, by driving the spins over Villain’s threshold, gives rise to fully coherent, resonant spin tunnelling. Our findings provide fundamental insight into the interaction between spins and graphene, establishing the basis for electrical spin manipulation in graphene nanodevices.

  15. Classical and quantum dynamics from classical paths to path integrals

    CERN Document Server

    Dittrich, Walter

    2017-01-01

    Graduate students who wish to become familiar with advanced computational strategies in classical and quantum dynamics will find in this book both the fundamentals of a standard course and a detailed treatment of the time-dependent oscillator, Chern-Simons mechanics, the Maslov anomaly and the Berry phase, to name just a few topics. Well-chosen and detailed examples illustrate perturbation theory, canonical transformations and the action principle, and demonstrate the usage of path integrals. The fifth edition has been revised and enlarged to include chapters on quantum electrodynamics, in particular, Schwinger’s proper time method and the treatment of classical and quantum mechanics with Lie brackets and pseudocanonical transformations. It is shown that operator quantum electrodynamics can be equivalently described with c-numbers, as demonstrated by calculating the propagation function for an electron in a prescribed classical electromagnetic field.

  16. Quantum Dynamics of Test Particle in Curved Space-Time

    International Nuclear Information System (INIS)

    Piechocki, W.

    2002-01-01

    To reveal the nature of space-time singularities of removable type we examine classical and quantum dynamics of a free particle in the Sitter type spacetimes. Consider space-times have different topologies otherwise are isometric. Our systems are integrable and we present analytic solutions of the classical dynamics. We quantize the systems by making use of the group theoretical method: we find an essentially self-adjoint representation of the algebra of observables integrable to the irreducible unitarity representation of the symmetry group of each consider gravitational system. The massless particle dynamics is obtained in the zero-mass limit of the massive case. Global properties of considered gravitational systems are of primary importance for the quantization procedure. Systems of a particle in space-times with removable singularities appear to be quantizable. We give specific proposal for extension of our analysis to space-times with essential type singularities. (author)

  17. Harnessing Disordered-Ensemble Quantum Dynamics for Machine Learning

    Science.gov (United States)

    Fujii, Keisuke; Nakajima, Kohei

    2017-08-01

    The quantum computer has an amazing potential of fast information processing. However, the realization of a digital quantum computer is still a challenging problem requiring highly accurate controls and key application strategies. Here we propose a platform, quantum reservoir computing, to solve these issues successfully by exploiting the natural quantum dynamics of ensemble systems, which are ubiquitous in laboratories nowadays, for machine learning. This framework enables ensemble quantum systems to universally emulate nonlinear dynamical systems including classical chaos. A number of numerical experiments show that quantum systems consisting of 5-7 qubits possess computational capabilities comparable to conventional recurrent neural networks of 100-500 nodes. This discovery opens up a paradigm for information processing with artificial intelligence powered by quantum physics.

  18. Nonlinear quantum dynamics in diatomic molecules: Vibration, rotation and spin

    International Nuclear Information System (INIS)

    Yang, Ciann-Dong; Weng, Hung-Jen

    2012-01-01

    Highlights: ► This paper reveals the internal nonlinear dynamics embedded in a molecular quantum state. ► Analyze quantum molecular dynamics in a deterministic way, while preserving the consistency with probability interpretation. ► Molecular vibration–rotation interaction and spin–orbital coupling are considered simultaneously. ► Spin is just the remnant angular motion when orbital angular momentum is zero. ► Spin is the “zero dynamics” of nonlinear quantum dynamics. - Abstract: For a given molecular wavefunction Ψ, the probability density function Ψ ∗ Ψ is not the only information that can be extracted from Ψ. We point out in this paper that nonlinear quantum dynamics of a diatomic molecule, completely consistent with the probability prediction of quantum mechanics, does exist and can be derived from the quantum Hamilton equations of motion determined by Ψ. It can be said that the probability density function Ψ ∗ Ψ is an external representation of the quantum state Ψ, while the related Hamilton dynamics is an internal representation of Ψ, which reveals the internal mechanism underlying the externally observed random events. The proposed internal representation of Ψ establishes a bridge between nonlinear dynamics and quantum mechanics, which allows the methods and tools already developed by the former to be applied to the latter. Based on the quantum Hamilton equations of motion derived from Ψ, vibration, rotation and spin motions of a diatomic molecule and the interactions between them can be analyzed simultaneously. The resulting dynamic analysis of molecular motion is compared with the conventional probability analysis and the consistency between them is demonstrated.

  19. Accurate quantum dynamics calculations using symmetrized Gaussians on a doubly dense Von Neumann lattice

    Energy Technology Data Exchange (ETDEWEB)

    Halverson, Thomas; Poirier, Bill [Department of Chemistry and Biochemistry and Department of Physics, Texas Tech University, P.O. Box 41061, Lubbock, Texas 79409-1061 (United States)

    2012-12-14

    In a series of earlier articles [B. Poirier, J. Theor. Comput. Chem. 2, 65 (2003); B. Poirier and A. Salam, J. Chem. Phys. 121, 1690 (2004); and ibid. 121, 1704 (2004)], a new method was introduced for performing exact quantum dynamics calculations. The method uses a 'weylet' basis set (orthogonalized Weyl-Heisenberg wavelets) combined with phase space truncation, to defeat the exponential scaling of CPU effort with system dimensionality-the first method ever able to achieve this long-standing goal. Here, we develop another such method, which uses a much more convenient basis of momentum-symmetrized Gaussians. Despite being non-orthogonal, symmetrized Gaussians are collectively local, allowing for effective phase space truncation. A dimension-independent code for computing energy eigenstates of both coupled and uncoupled systems has been created, exploiting massively parallel algorithms. Results are presented for model isotropic uncoupled harmonic oscillators and coupled anharmonic oscillators up to 27 dimensions. These are compared with the previous weylet calculations (uncoupled harmonic oscillators up to 15 dimensions), and found to be essentially just as efficient. Coupled system results are also compared to corresponding exact results obtained using a harmonic oscillator basis, and also to approximate results obtained using first-order perturbation theory up to the maximum dimensionality for which the latter may be feasibly obtained (four dimensions).

  20. Communication: Mode specific quantum dynamics of the F + CHD{sub 3} → HF + CD{sub 3} reaction

    Energy Technology Data Exchange (ETDEWEB)

    Qi, Ji; Song, Hongwei; Yang, Minghui, E-mail: yangmh@wipm.ac.cn, E-mail: juliana@unq.edu.ar, E-mail: uwe.manthe@uni-bielefeld.de [Key Laboratory of Magnetic Resonance in Biological Systems, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, National Center for Magnetic Resonance in Wuhan, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071 (China); Palma, Juliana, E-mail: yangmh@wipm.ac.cn, E-mail: juliana@unq.edu.ar, E-mail: uwe.manthe@uni-bielefeld.de [Departamento de Ciencia y Tecnología, Universidad Nacional de Quilmes, CONICET, Sáenz Peña 352, Bernal B1876BXD (Argentina); Manthe, Uwe, E-mail: yangmh@wipm.ac.cn, E-mail: juliana@unq.edu.ar, E-mail: uwe.manthe@uni-bielefeld.de [Theoretische Chemie, Fakultät für Chemie, Universität Bielefeld, Universitätsstr. 25, D-33615 Bielefeld (Germany); Guo, Hua [Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131 (United States)

    2016-05-07

    The mode specific reactivity of the F + CHD{sub 3} → HF + CD{sub 3} reaction is investigated using an eight-dimensional quantum dynamical model on a recently developed ab initio based full-dimensional potential energy surface. Our results indicate prominent resonance structures at low collision energies and absence of an energy threshold in reaction probabilities. It was also found that excitation of the C–D stretching or CD{sub 3} umbrella mode has a relatively small impact on reactivity. On the other hand, the excitation of the C–H vibration (v{sub 1}) in CHD{sub 3} is shown to significantly increase the reactivity, which, like several recent quasi-classical trajectory studies, is at odds with the available experimental data. Possible sources of the disagreement are discussed.

  1. Full Quantum Dynamics Simulation of a Realistic Molecular System Using the Adaptive Time-Dependent Density Matrix Renormalization Group Method.

    Science.gov (United States)

    Yao, Yao; Sun, Ke-Wei; Luo, Zhen; Ma, Haibo

    2018-01-18

    The accurate theoretical interpretation of ultrafast time-resolved spectroscopy experiments relies on full quantum dynamics simulations for the investigated system, which is nevertheless computationally prohibitive for realistic molecular systems with a large number of electronic and/or vibrational degrees of freedom. In this work, we propose a unitary transformation approach for realistic vibronic Hamiltonians, which can be coped with using the adaptive time-dependent density matrix renormalization group (t-DMRG) method to efficiently evolve the nonadiabatic dynamics of a large molecular system. We demonstrate the accuracy and efficiency of this approach with an example of simulating the exciton dissociation process within an oligothiophene/fullerene heterojunction, indicating that t-DMRG can be a promising method for full quantum dynamics simulation in large chemical systems. Moreover, it is also shown that the proper vibronic features in the ultrafast electronic process can be obtained by simulating the two-dimensional (2D) electronic spectrum by virtue of the high computational efficiency of the t-DMRG method.

  2. Accurate quantum dynamics calculations using symmetrized Gaussians on a doubly dense Von Neumann lattice

    International Nuclear Information System (INIS)

    Halverson, Thomas; Poirier, Bill

    2012-01-01

    In a series of earlier articles [B. Poirier, J. Theor. Comput. Chem. 2, 65 (2003); B. Poirier and A. Salam, J. Chem. Phys. 121, 1690 (2004); and ibid. 121, 1704 (2004)], a new method was introduced for performing exact quantum dynamics calculations. The method uses a “weylet” basis set (orthogonalized Weyl-Heisenberg wavelets) combined with phase space truncation, to defeat the exponential scaling of CPU effort with system dimensionality—the first method ever able to achieve this long-standing goal. Here, we develop another such method, which uses a much more convenient basis of momentum-symmetrized Gaussians. Despite being non-orthogonal, symmetrized Gaussians are collectively local, allowing for effective phase space truncation. A dimension-independent code for computing energy eigenstates of both coupled and uncoupled systems has been created, exploiting massively parallel algorithms. Results are presented for model isotropic uncoupled harmonic oscillators and coupled anharmonic oscillators up to 27 dimensions. These are compared with the previous weylet calculations (uncoupled harmonic oscillators up to 15 dimensions), and found to be essentially just as efficient. Coupled system results are also compared to corresponding exact results obtained using a harmonic oscillator basis, and also to approximate results obtained using first-order perturbation theory up to the maximum dimensionality for which the latter may be feasibly obtained (four dimensions).

  3. Constructing quantum dynamics from mixed quantum-classical descriptions

    International Nuclear Information System (INIS)

    Barsegov, V.; Rossky, P.J.

    2004-01-01

    The influence of quantum bath effects on the dynamics of a quantum two-level system linearly coupled to a harmonic bath is studied when the coupling is both diagonal and off-diagonal. It is shown that the pure dephasing kernel and the non-adiabatic quantum transition rate between Born-Oppenheimer states of the subsystem can be decomposed into a contribution from thermally excited bath modes plus a zero point energy contribution. This quantum rate can be modewise factorized exactly into a product of a mixed quantum subsystem-classical bath transition rate and a quantum correction factor. This factor determines dynamics of quantum bath correlations. Quantum bath corrections to both the transition rate and the pure dephasing kernel are shown to be readily evaluated via a mixed quantum-classical simulation. Hence, quantum dynamics can be recovered from a mixed quantum-classical counterpart by incorporating the missing quantum bath corrections. Within a mixed quantum-classical framework, a simple approach for evaluating quantum bath corrections in calculation of the non-adiabatic transition rate is presented

  4. Quantum dynamics and electronic spectroscopy within the framework of wavelets

    International Nuclear Information System (INIS)

    Toutounji, Mohamad

    2013-01-01

    This paper serves as a first-time report on formulating important aspects of electronic spectroscopy and quantum dynamics in condensed harmonic systems using the framework of wavelets, and a stepping stone to our future work on developing anharmonic wavelets. The Morlet wavelet is taken to be the mother wavelet for the initial state of the system of interest. This work reports daughter wavelets that may be used to study spectroscopy and dynamics of harmonic systems. These wavelets are shown to arise naturally upon optical electronic transition of the system of interest. Natural birth of basis (daughter) wavelets emerging on exciting an electronic two-level system coupled, both linearly and quadratically, to harmonic phonons is discussed. It is shown that this takes place through using the unitary dilation and translation operators, which happen to be part of the time evolution operator of the final electronic state. The corresponding optical autocorrelation function and linear absorption spectra are calculated to test the applicability and correctness of the herein results. The link between basis wavelets and the Liouville space generating function is established. An anharmonic mother wavelet is also proposed in the case of anharmonic electron–phonon coupling. A brief description of deriving anharmonic wavelets and the corresponding anharmonic Liouville space generating function is explored. In conclusion, a mother wavelet (be it harmonic or anharmonic) which accounts for Duschinsky mixing is suggested. (paper)

  5. Quantum dynamics in open quantum-classical systems.

    Science.gov (United States)

    Kapral, Raymond

    2015-02-25

    Often quantum systems are not isolated and interactions with their environments must be taken into account. In such open quantum systems these environmental interactions can lead to decoherence and dissipation, which have a marked influence on the properties of the quantum system. In many instances the environment is well-approximated by classical mechanics, so that one is led to consider the dynamics of open quantum-classical systems. Since a full quantum dynamical description of large many-body systems is not currently feasible, mixed quantum-classical methods can provide accurate and computationally tractable ways to follow the dynamics of both the system and its environment. This review focuses on quantum-classical Liouville dynamics, one of several quantum-classical descriptions, and discusses the problems that arise when one attempts to combine quantum and classical mechanics, coherence and decoherence in quantum-classical systems, nonadiabatic dynamics, surface-hopping and mean-field theories and their relation to quantum-classical Liouville dynamics, as well as methods for simulating the dynamics.

  6. Stabilizing simulations of complex stochastic representations for quantum dynamical systems

    Energy Technology Data Exchange (ETDEWEB)

    Perret, C; Petersen, W P, E-mail: wpp@math.ethz.ch [Seminar for Applied Mathematics, ETH, Zurich (Switzerland)

    2011-03-04

    Path integral representations of quantum dynamics can often be formulated as stochastic differential equations (SDEs). In a series of papers, Corney and Drummond (2004 Phys. Rev. Lett. 93 260401), Deuar and Drummond (2001 Comput. Phys. Commun. 142 442-5), Drummond and Gardnier (1980 J. Phys. A: Math. Gen. 13 2353-68), Gardiner and Zoller (2004 Quantum Noise: A Handbook of Markovian and Non-Markovian Quantum Stochastic Methods with Applications to Quantum Optics (Springer Series in Synergetics) 3rd edn (Berlin: Springer)) and Gilchrist et al (1997 Phys. Rev. A 55 3014-32) and their collaborators have derived SDEs from coherent states representations for density matrices. Computationally, these SDEs are attractive because they seem simple to simulate. They can be quite unstable, however. In this paper, we consider some of the instabilities and propose a few remedies. Particularly, because the variances of the simulated paths typically grow exponentially, the processes become de-localized in relatively short times. Hence, the issues of boundary conditions and stable integration methods become important. We use the Bose-Einstein Hamiltonian as an example. Our results reveal that it is possible to significantly extend integration times and show the periodic structure of certain functionals.

  7. The quantum structure of matter grand challenge project: Large-scale 3-D solutions in relativistic quantum dynamics

    International Nuclear Information System (INIS)

    Wells, J.C.; Oberacker, V.E.; Umar, A.S.

    1993-01-01

    We describe the numerical methods used to solve the time-dependent Dirac equation on a three-dimensional Cartesian lattice. Efficient algorithms are required for computationally intensive studies of nonperturbative relativistic quantum dynamics. Discretization is achieved through the lattice basis-spline collocation method, in which quantum-state vectors and coordinate-space operators are expressed in terms of basis-spline functions on a spatial lattice. All numerical procedures reduce to a series of matrix-vector operations which we perform on the Intel iPSC/860 hypercube, making full use of parallelism. We discuss our solutions to the problems of limited node memory and node-to-node communication overhead inherent in using distributed-memory, multiple-instruction, multiple-data stream parallel computers

  8. Quantum dynamics and entanglement of spins on a square lattice

    DEFF Research Database (Denmark)

    Christensen, Niels Bech; Rønnow, Henrik Moodysson; McMorrow, Desmond Francis

    2007-01-01

    in understanding quantum effects in one-dimensional quantum antiferromagnets, but a complete experimental description of even simple two-dimensional antiferromagnets is lacking. Here we describe a comprehensive set of neutron scattering measurements that reveal a non-spin-wave continuum and strong quantum effects...

  9. 17 CFR 240.15d-20 - Plain English presentation of specified information.

    Science.gov (United States)

    2010-04-01

    ... 17 Commodity and Securities Exchanges 3 2010-04-01 2010-04-01 false Plain English presentation of specified information. 240.15d-20 Section 240.15d-20 Commodity and Securities Exchanges SECURITIES AND... Regulations Under the Securities Exchange Act of 1934 Other Reports § 240.15d-20 Plain English presentation of...

  10. Fuzzy Geometry of Commutative Spaces and Quantum Dynamics

    International Nuclear Information System (INIS)

    Mayburov, S.N.

    2016-01-01

    Fuzzy topology and geometry considered as the possible mathematical framework for novel quantum-mechanical formalism. In such formalism the states of massive particle m correspond to the elements of fuzzy manifold called fuzzy points. Due to the manifold weak topology, m space coordinate x acquires principal uncertainty σ_x and described by the positive, normalized density w(r-vector , t) in 3-dimensional case. It’s shown that the evolution of m state on such 3-dimensional manifold corresponds to Shroedinger dynamics of massive quantum particle

  11. A non-critical string approach to black holes, time and quantum dynamics

    CERN Document Server

    Ellis, John R.; Nanopoulos, Dimitri V.

    1994-01-01

    We review our approach to time and quantum dynamics based on non-critical string theory, developing its relationship to previous work on non-equilibrium quantum statistical mechanics and the microscopic arrow of time. We exhibit specific non-factorizing contributions to the {\

  12. Exact solution for a non-Markovian dissipative quantum dynamics.

    Science.gov (United States)

    Ferialdi, Luca; Bassi, Angelo

    2012-04-27

    We provide the exact analytic solution of the stochastic Schrödinger equation describing a harmonic oscillator interacting with a non-Markovian and dissipative environment. This result represents an arrival point in the study of non-Markovian dynamics via stochastic differential equations. It is also one of the few exactly solvable models for infinite-dimensional systems. We compute the Green's function; in the case of a free particle and with an exponentially correlated noise, we discuss the evolution of Gaussian wave functions.

  13. A quantum dynamical study of the rotation of the dihydrogen ligand in the Fe(H)2(H2)(PEtPh2)3 coordination complex

    Science.gov (United States)

    Gonzalez, Megan E.; Eckert, Juergen; Aquino, Adelia J. A.; Poirier, Bill

    2018-04-01

    Progress in the hydrogen fuel field requires a clear understanding and characterization of how materials of interest interact with hydrogen. Due to the inherently quantum mechanical nature of hydrogen nuclei, any theoretical studies of these systems must be treated quantum dynamically. One class of material that has been examined in this context are dihydrogen complexes. Since their discovery by Kubas in 1984, many such complexes have been studied both experimentally and theoretically. This particular study examines the rotational dynamics of the dihydrogen ligand in the Fe(H)2(H2)(PEtPh2)3 complex, allowing for full motion in both the rotational degrees of freedom and treating the quantum dynamics (QD) explicitly. A "gas-phase" global potential energy surface is first constructed using density functional theory with the Becke, 3-parameter, Lee-Yang-Parr functional; this is followed by an exact QD calculation of the corresponding rotation/libration states. The results provide insight into the dynamical correlation of the two rotation angles as well as a comprehensive analysis of both ground- and excited-state librational tunneling splittings. The latter was computed to be 6.914 cm-1—in excellent agreement with the experimental value of 6.4 cm-1. This work represents the first full-dimensional ab initio exact QD calculation ever performed for dihydrogen ligand rotation in a coordination complex.

  14. Global optimization for quantum dynamics of few-fermion systems

    Science.gov (United States)

    Li, Xikun; Pecak, Daniel; Sowiński, Tomasz; Sherson, Jacob; Nielsen, Anne E. B.

    2018-03-01

    Quantum state preparation is vital to quantum computation and quantum information processing tasks. In adiabatic state preparation, the target state is theoretically obtained with nearly perfect fidelity if the control parameter is tuned slowly enough. As this, however, leads to slow dynamics, it is often desirable to be able to carry out processes more rapidly. In this work, we employ two global optimization methods to estimate the quantum speed limit for few-fermion systems confined in a one-dimensional harmonic trap. Such systems can be produced experimentally in a well-controlled manner. We determine the optimized control fields and achieve a reduction in the ramping time of more than a factor of four compared to linear ramping. We also investigate how robust the fidelity is to small variations of the control fields away from the optimized shapes.

  15. Chapter 5: Quantum Dynamics in Dissipative Molecular Systems

    Science.gov (United States)

    Zhang, Hou-Dao; Xu, J.; Xu, Rui-Xue; Yan, Y. J.

    2014-04-01

    The following sections are included: * Introduction * HEOM versus Path Integral Formalism: Background * Generic form and terminology of HEOM * Statistical mechanics description of bath influence * Feynman-Vernon influence functional formalism * General comments * Memory-Frequency Decomposition of Bath Correlation Functions * PSD of Bose function * Brownian oscillators decomposition of bath spectral density function * Optimized HEOM Theory With Accuracy Control * Construction of HEOM via path integral formalism * Accuracy control on white-noise residue ansatz * Efficient HEOM propagator: Numerical filtering and indexing algorithm * HEOM in Quantum Mechanics for Open Systems * The HEOM space and the Schrödinger picture * HEOM in the Heisenberg picture * Mixed Heisenberg-Schrödinger block-matrix dynamics in nonlinear optical response functions * Two-Dimensional Spectroscopy: Model Calculations * Concluding Remarks * Acknowledgments * References

  16. Quantum dynamics for classical systems with applications of the number operator

    CERN Document Server

    Bagarello, Fabio

    2013-01-01

    Mathematics is increasingly applied to classical problems in finance, biology, economics, and elsewhere. Quantum Dynamics for Classical Systems describes how quantum tools—the number operator in particular—can be used to create dynamical systems in which the variables are operator-valued functions and whose results explain the presented model. The book presents mathematical results and their applications to concrete systems and discusses the methods used, results obtained, and techniques developed for the proofs of the results. The central ideas of number operators are illuminated while avoiding excessive technicalities that are unnecessary for understanding and learning the various mathematical applications. The presented dynamical systems address a variety of contexts and offer clear analyses and explanations of concluded results. Additional features in Quantum Dynamics for Classical Systems include: Applications across diverse fields including stock markets and population migration as well as a uniqu...

  17. Feynman’s clock, a new variational principle, and parallel-in-time quantum dynamics

    Science.gov (United States)

    McClean, Jarrod R.; Parkhill, John A.; Aspuru-Guzik, Alán

    2013-01-01

    We introduce a discrete-time variational principle inspired by the quantum clock originally proposed by Feynman and use it to write down quantum evolution as a ground-state eigenvalue problem. The construction allows one to apply ground-state quantum many-body theory to quantum dynamics, extending the reach of many highly developed tools from this fertile research area. Moreover, this formalism naturally leads to an algorithm to parallelize quantum simulation over time. We draw an explicit connection between previously known time-dependent variational principles and the time-embedded variational principle presented. Sample calculations are presented, applying the idea to a hydrogen molecule and the spin degrees of freedom of a model inorganic compound, demonstrating the parallel speedup of our method as well as its flexibility in applying ground-state methodologies. Finally, we take advantage of the unique perspective of this variational principle to examine the error of basis approximations in quantum dynamics. PMID:24062428

  18. Matching-pursuit/split-operator Fourier-transform simulations of nonadiabatic quantum dynamics

    Science.gov (United States)

    Wu, Yinghua; Herman, Michael F.; Batista, Victor S.

    2005-03-01

    A rigorous and practical approach for simulations of nonadiabatic quantum dynamics is introduced. The algorithm involves a natural extension of the matching-pursuit/split-operator Fourier-transform (MP/SOFT) method [Y. Wu and V. S. Batista, J. Chem. Phys. 121, 1676 (2004)] recently developed for simulations of adiabatic quantum dynamics in multidimensional systems. The MP/SOFT propagation scheme, extended to nonadiabatic dynamics, recursively applies the time-evolution operator as defined by the standard perturbation expansion to first-, or second-order, accuracy. The expansion is implemented in dynamically adaptive coherent-state representations, generated by an approach that combines the matching-pursuit algorithm with a gradient-based optimization method. The accuracy and efficiency of the resulting propagation method are demonstrated as applied to the canonical model systems introduced by Tully for testing simulations of dual curve-crossing nonadiabatic dynamics.

  19. Automatic generation of active coordinates for quantum dynamics calculations: Application to the dynamics of benzene photochemistry

    International Nuclear Information System (INIS)

    Lasorne, Benjamin; Sicilia, Fabrizio; Bearpark, Michael J.; Robb, Michael A.; Worth, Graham A.; Blancafort, Lluis

    2008-01-01

    A new practical method to generate a subspace of active coordinates for quantum dynamics calculations is presented. These reduced coordinates are obtained as the normal modes of an analytical quadratic representation of the energy difference between excited and ground states within the complete active space self-consistent field method. At the Franck-Condon point, the largest negative eigenvalues of this Hessian correspond to the photoactive modes: those that reduce the energy difference and lead to the conical intersection; eigenvalues close to 0 correspond to bath modes, while modes with large positive eigenvalues are photoinactive vibrations, which increase the energy difference. The efficacy of quantum dynamics run in the subspace of the photoactive modes is illustrated with the photochemistry of benzene, where theoretical simulations are designed to assist optimal control experiments

  20. Quantum dynamics of hydrogen atoms on graphene. II. Sticking

    Science.gov (United States)

    Bonfanti, Matteo; Jackson, Bret; Hughes, Keith H.; Burghardt, Irene; Martinazzo, Rocco

    2015-09-01

    Following our recent system-bath modeling of the interaction between a hydrogen atom and a graphene surface [Bonfanti et al., J. Chem. Phys. 143, 124703 (2015)], we present the results of converged quantum scattering calculations on the activated sticking dynamics. The focus of this study is the collinear scattering on a surface at zero temperature, which is treated with high-dimensional wavepacket propagations with the multi-configuration time-dependent Hartree method. At low collision energies, barrier-crossing dominates the sticking and any projectile that overcomes the barrier gets trapped in the chemisorption well. However, at high collision energies, energy transfer to the surface is a limiting factor, and fast H atoms hardly dissipate their excess energy and stick on the surface. As a consequence, the sticking coefficient is maximum (˜0.65) at an energy which is about one and half larger than the barrier height. Comparison of the results with classical and quasi-classical calculations shows that quantum fluctuations of the lattice play a primary role in the dynamics. A simple impulsive model describing the collision of a classical projectile with a quantum surface is developed which reproduces the quantum results remarkably well for all but the lowest energies, thereby capturing the essential physics of the activated sticking dynamics investigated.

  1. Quantum dynamics of hydrogen atoms on graphene. II. Sticking.

    Science.gov (United States)

    Bonfanti, Matteo; Jackson, Bret; Hughes, Keith H; Burghardt, Irene; Martinazzo, Rocco

    2015-09-28

    Following our recent system-bath modeling of the interaction between a hydrogen atom and a graphene surface [Bonfanti et al., J. Chem. Phys. 143, 124703 (2015)], we present the results of converged quantum scattering calculations on the activated sticking dynamics. The focus of this study is the collinear scattering on a surface at zero temperature, which is treated with high-dimensional wavepacket propagations with the multi-configuration time-dependent Hartree method. At low collision energies, barrier-crossing dominates the sticking and any projectile that overcomes the barrier gets trapped in the chemisorption well. However, at high collision energies, energy transfer to the surface is a limiting factor, and fast H atoms hardly dissipate their excess energy and stick on the surface. As a consequence, the sticking coefficient is maximum (∼0.65) at an energy which is about one and half larger than the barrier height. Comparison of the results with classical and quasi-classical calculations shows that quantum fluctuations of the lattice play a primary role in the dynamics. A simple impulsive model describing the collision of a classical projectile with a quantum surface is developed which reproduces the quantum results remarkably well for all but the lowest energies, thereby capturing the essential physics of the activated sticking dynamics investigated.

  2. Quantum dynamics of hydrogen atoms on graphene. II. Sticking

    Energy Technology Data Exchange (ETDEWEB)

    Bonfanti, Matteo, E-mail: matteo.bonfanti@unimi.it [Dipartimento di Chimica, Università degli Studi di Milano, v. Golgi 19, 20133 Milano (Italy); Jackson, Bret [Department of Chemistry, University of Massachusetts, Amherst, Massachusetts 01003 (United States); Hughes, Keith H. [School of Chemistry, Bangor University, Bangor, Gwynedd LL57 2UW (United Kingdom); Burghardt, Irene [Institute of Physical and Theoretical Chemistry, Goethe University Frankfurt, Max-von-Laue-Str. 7, 60438 Frankfurt/Main (Germany); Martinazzo, Rocco, E-mail: rocco.martinazzo@unimi.it [Dipartimento di Chimica, Università degli Studi di Milano, v. Golgi 19, 20133 Milano (Italy); Istituto di Scienze e Tecnologie Molecolari, Consiglio Nazionale delle Richerche, v. Golgi 19, 20133 Milano (Italy)

    2015-09-28

    Following our recent system-bath modeling of the interaction between a hydrogen atom and a graphene surface [Bonfanti et al., J. Chem. Phys. 143, 124703 (2015)], we present the results of converged quantum scattering calculations on the activated sticking dynamics. The focus of this study is the collinear scattering on a surface at zero temperature, which is treated with high-dimensional wavepacket propagations with the multi-configuration time-dependent Hartree method. At low collision energies, barrier-crossing dominates the sticking and any projectile that overcomes the barrier gets trapped in the chemisorption well. However, at high collision energies, energy transfer to the surface is a limiting factor, and fast H atoms hardly dissipate their excess energy and stick on the surface. As a consequence, the sticking coefficient is maximum (∼0.65) at an energy which is about one and half larger than the barrier height. Comparison of the results with classical and quasi-classical calculations shows that quantum fluctuations of the lattice play a primary role in the dynamics. A simple impulsive model describing the collision of a classical projectile with a quantum surface is developed which reproduces the quantum results remarkably well for all but the lowest energies, thereby capturing the essential physics of the activated sticking dynamics investigated.

  3. Quantum dynamics of hydrogen atoms on graphene. II. Sticking

    International Nuclear Information System (INIS)

    Bonfanti, Matteo; Jackson, Bret; Hughes, Keith H.; Burghardt, Irene; Martinazzo, Rocco

    2015-01-01

    Following our recent system-bath modeling of the interaction between a hydrogen atom and a graphene surface [Bonfanti et al., J. Chem. Phys. 143, 124703 (2015)], we present the results of converged quantum scattering calculations on the activated sticking dynamics. The focus of this study is the collinear scattering on a surface at zero temperature, which is treated with high-dimensional wavepacket propagations with the multi-configuration time-dependent Hartree method. At low collision energies, barrier-crossing dominates the sticking and any projectile that overcomes the barrier gets trapped in the chemisorption well. However, at high collision energies, energy transfer to the surface is a limiting factor, and fast H atoms hardly dissipate their excess energy and stick on the surface. As a consequence, the sticking coefficient is maximum (∼0.65) at an energy which is about one and half larger than the barrier height. Comparison of the results with classical and quasi-classical calculations shows that quantum fluctuations of the lattice play a primary role in the dynamics. A simple impulsive model describing the collision of a classical projectile with a quantum surface is developed which reproduces the quantum results remarkably well for all but the lowest energies, thereby capturing the essential physics of the activated sticking dynamics investigated

  4. Classical and quantum dynamics of driven elliptical billiards

    Energy Technology Data Exchange (ETDEWEB)

    Lenz, Florian

    2009-12-09

    Subject of this thesis is the investigation of the classical dynamics of the driven elliptical billiard and the development of a numerical method allowing the propagation of arbitrary initial states in the quantum version of the system. In the classical case, we demonstrate that there is Fermi acceleration in the driven billiard. The corresponding transport process in momentum space shows a surprising crossover from sub- to normal diffusion. This crossover is not parameter induced, but rather occurs dynamically in the evolution of the ensemble. The four-dimensional phase space is analyzed in depth, especially how its composition changes in different velocity regimes. We show that the stickiness properties, which eventually determine the diffusion, are intimately connected with this change of the composition of the phase space with respect to velocity. In the course of the evolution, the accelerating ensemble thus explores regions of varying stickiness, leading to the mentioned crossover in the diffusion. In the quantum case, a series of transformations tailored to the elliptical billiard is applied to circumvent the time-dependent Dirichlet boundary conditions. By means of an expansion ansatz, this eventually yields a large system of coupled ordinary differential equations, which can be solved by standard techniques. (orig.)

  5. Classical and quantum dynamics of driven elliptical billiards

    International Nuclear Information System (INIS)

    Lenz, Florian

    2009-01-01

    Subject of this thesis is the investigation of the classical dynamics of the driven elliptical billiard and the development of a numerical method allowing the propagation of arbitrary initial states in the quantum version of the system. In the classical case, we demonstrate that there is Fermi acceleration in the driven billiard. The corresponding transport process in momentum space shows a surprising crossover from sub- to normal diffusion. This crossover is not parameter induced, but rather occurs dynamically in the evolution of the ensemble. The four-dimensional phase space is analyzed in depth, especially how its composition changes in different velocity regimes. We show that the stickiness properties, which eventually determine the diffusion, are intimately connected with this change of the composition of the phase space with respect to velocity. In the course of the evolution, the accelerating ensemble thus explores regions of varying stickiness, leading to the mentioned crossover in the diffusion. In the quantum case, a series of transformations tailored to the elliptical billiard is applied to circumvent the time-dependent Dirichlet boundary conditions. By means of an expansion ansatz, this eventually yields a large system of coupled ordinary differential equations, which can be solved by standard techniques. (orig.)

  6. Computational strong-field quantum dynamics. Intense light-matter interactions

    Energy Technology Data Exchange (ETDEWEB)

    Bauer, Dieter (ed.) [Rostock Univ. (Germany). Inst. fuer Physik

    2017-09-01

    This graduate textbook introduces the computational techniques to study ultra-fast quantum dynamics of matter exposed to strong laser fields. Coverage includes methods to propagate wavefunctions according to the time dependent Schroedinger, Klein-Gordon or Dirac equation, the calculation of typical observables, time-dependent density functional theory, multi configurational time-dependent Hartree-Fock, time-dependent configuration interaction singles, the strong-field approximation, and the microscopic particle-in-cell approach.

  7. Computational strong-field quantum dynamics. Intense light-matter interactions

    International Nuclear Information System (INIS)

    Bauer, Dieter

    2017-01-01

    This graduate textbook introduces the computational techniques to study ultra-fast quantum dynamics of matter exposed to strong laser fields. Coverage includes methods to propagate wavefunctions according to the time dependent Schroedinger, Klein-Gordon or Dirac equation, the calculation of typical observables, time-dependent density functional theory, multi configurational time-dependent Hartree-Fock, time-dependent configuration interaction singles, the strong-field approximation, and the microscopic particle-in-cell approach.

  8. Computational strong-field quantum dynamics intense light-matter interactions

    CERN Document Server

    2017-01-01

    This graduate textbook introduces the computational techniques to study ultra-fast quantum dynamics of matter exposed to strong laser fields. Coverage includes methods to propagate wavefunctions according to the time-dependent Schrödinger, Klein-Gordon or Dirac equation, the calculation of typical observables, time-dependent density functional theory, multi-configurational time-dependent Hartree-Fock, time-dependent configuration interaction singles, the strong-field approximation, and the microscopic particle-in-cell approach.

  9. Noise Induced Dissipation in Discrete-Time Classical and Quantum Dynamical Systems

    OpenAIRE

    Wolowski, Lech

    2004-01-01

    We introduce a new characteristics of chaoticity of classical and quantum dynamical systems by defining the notion of the dissipation time which enables us to test how the system responds to the noise and in particular to measure the speed at which an initially closed, conservative system converges to the equilibrium when subjected to noisy (stochastic) perturbations. We prove fast dissipation result for classical Anosov systems and ...

  10. Quantum dynamics simulation of a small quantum system embedded in a classical environment

    International Nuclear Information System (INIS)

    Berendsen, H.J.C.; Mavri, J.; Mavri, J.

    1996-01-01

    The authors wish to consider quantum-dynamical processes that are not restricted to motion on a ground state Born-Oppenheimer surface, but may involve transitions between states. The authors interest is in such processes occurring in a complex environment that modulates the quantum process and interacts with it. In a system containing thousands degrees of freedom, the essential quantum behaviour is generally restricted to a small subsystem containing only a few degrees of freedom, while the environment can be treated classically. The challenge is threefold: 1) to treat the quantum subsystem correctly in a quantum-dynamical sense, 2) to treat the environment correctly in a classical dynamical sense, 3) to couple both systems in such a way that errors in the average or long-term behaviour are minimized. After an exposition of the theory, an insight into quantum-dynamical behaviour by using pictorial analogue, valid for a simple two-level system is given. Then, the authors give a short survey of applications related to collision processes involving quantum levels of one particle, and to proton transfer processes along hydrogen bonds in complex environments. Finally, they conclude with some general remarks on the validity of their approach. (N.T.)

  11. Electron-phonon thermalization in a scalable method for real-time quantum dynamics

    Science.gov (United States)

    Rizzi, Valerio; Todorov, Tchavdar N.; Kohanoff, Jorge J.; Correa, Alfredo A.

    2016-01-01

    We present a quantum simulation method that follows the dynamics of out-of-equilibrium many-body systems of electrons and oscillators in real time. Its cost is linear in the number of oscillators and it can probe time scales from attoseconds to hundreds of picoseconds. Contrary to Ehrenfest dynamics, it can thermalize starting from a variety of initial conditions, including electronic population inversion. While an electronic temperature can be defined in terms of a nonequilibrium entropy, a Fermi-Dirac distribution in general emerges only after thermalization. These results can be used to construct a kinetic model of electron-phonon equilibration based on the explicit quantum dynamics.

  12. On the fly quantum dynamics of electronic and nuclear wave packets

    Science.gov (United States)

    Komarova, Ksenia G.; Remacle, F.; Levine, R. D.

    2018-05-01

    Multielectronic states quantum dynamics on a grid is described in a manner motivated by on the fly classical trajectory computations. Non stationary electronic states are prepared by a few cycle laser pulse. The nuclei respond and begin moving. We solve the time dependent Schrödinger equation for the electronic and nuclear dynamics for excitation from the ground electronic state. A satisfactory accuracy is possible using a localized description on a discrete grid. This enables computing on the fly for both the nuclear and electronic dynamics including non-adiabatic couplings. Attosecond dynamics in LiH is used as an example.

  13. Extracting quantum dynamics from genetic learning algorithms through principal control analysis

    International Nuclear Information System (INIS)

    White, J L; Pearson, B J; Bucksbaum, P H

    2004-01-01

    Genetic learning algorithms are widely used to control ultrafast optical pulse shapes for photo-induced quantum control of atoms and molecules. An unresolved issue is how to use the solutions found by these algorithms to learn about the system's quantum dynamics. We propose a simple method based on covariance analysis of the control space, which can reveal the degrees of freedom in the effective control Hamiltonian. We have applied this technique to stimulated Raman scattering in liquid methanol. A simple model of two-mode stimulated Raman scattering is consistent with the results. (letter to the editor)

  14. Large scale exact quantum dynamics calculations: Ten thousand quantum states of acetonitrile

    Science.gov (United States)

    Halverson, Thomas; Poirier, Bill

    2015-03-01

    'Exact' quantum dynamics (EQD) calculations of the vibrational spectrum of acetonitrile (CH3CN) are performed, using two different methods: (1) phase-space-truncated momentum-symmetrized Gaussian basis and (2) correlated truncated harmonic oscillator basis. In both cases, a simple classical phase space picture is used to optimize the selection of individual basis functions-leading to drastic reductions in basis size, in comparison with existing methods. Massive parallelization is also employed. Together, these tools-implemented into a single, easy-to-use computer code-enable a calculation of tens of thousands of vibrational states of CH3CN to an accuracy of 0.001-10 cm-1.

  15. Quantum dynamics of hydrogen atoms on graphene. I. System-bath modeling.

    Science.gov (United States)

    Bonfanti, Matteo; Jackson, Bret; Hughes, Keith H; Burghardt, Irene; Martinazzo, Rocco

    2015-09-28

    An accurate system-bath model to investigate the quantum dynamics of hydrogen atoms chemisorbed on graphene is presented. The system comprises a hydrogen atom and the carbon atom from graphene that forms the covalent bond, and it is described by a previously developed 4D potential energy surface based on density functional theory ab initio data. The bath describes the rest of the carbon lattice and is obtained from an empirical force field through inversion of a classical equilibrium correlation function describing the hydrogen motion. By construction, model building easily accommodates improvements coming from the use of higher level electronic structure theory for the system. Further, it is well suited to a determination of the system-environment coupling by means of ab initio molecular dynamics. This paper details the system-bath modeling and shows its application to the quantum dynamics of vibrational relaxation of a chemisorbed hydrogen atom, which is here investigated at T = 0 K with the help of the multi-configuration time-dependent Hartree method. Paper II deals with the sticking dynamics.

  16. Quantum dynamics of hydrogen atoms on graphene. I. System-bath modeling

    Energy Technology Data Exchange (ETDEWEB)

    Bonfanti, Matteo, E-mail: matteo.bonfanti@unimi.it [Dipartimento di Chimica, Università degli Studi di Milano, v. Golgi 19, 20133 Milano (Italy); Jackson, Bret [Department of Chemistry, University of Massachusetts, Amherst, Massachusetts 01003 (United States); Hughes, Keith H. [School of Chemistry, Bangor University, Bangor, Gwynedd LL57 2UW (United Kingdom); Burghardt, Irene [Institute of Physical and Theoretical Chemistry, Goethe University Frankfurt, Max-von-Laue-Str. 7, 60438 Frankfurt/Main (Germany); Martinazzo, Rocco, E-mail: rocco.martinazzo@unimi.it [Dipartimento di Chimica, Università degli Studi di Milano, v. Golgi 19, 20133 Milano (Italy); Istituto di Scienze e Tecnologie Molecolari, Consiglio Nazionale delle Richerche, v. Golgi 19, 20133 Milano (Italy)

    2015-09-28

    An accurate system-bath model to investigate the quantum dynamics of hydrogen atoms chemisorbed on graphene is presented. The system comprises a hydrogen atom and the carbon atom from graphene that forms the covalent bond, and it is described by a previously developed 4D potential energy surface based on density functional theory ab initio data. The bath describes the rest of the carbon lattice and is obtained from an empirical force field through inversion of a classical equilibrium correlation function describing the hydrogen motion. By construction, model building easily accommodates improvements coming from the use of higher level electronic structure theory for the system. Further, it is well suited to a determination of the system-environment coupling by means of ab initio molecular dynamics. This paper details the system-bath modeling and shows its application to the quantum dynamics of vibrational relaxation of a chemisorbed hydrogen atom, which is here investigated at T = 0 K with the help of the multi-configuration time-dependent Hartree method. Paper II deals with the sticking dynamics.

  17. Quantum dynamics through conical intersections in macrosystems: Combining effective modes and time-dependent Hartree

    International Nuclear Information System (INIS)

    Basler, Mathias; Gindensperger, Etienne; Meyer, Hans-Dieter; Cederbaum, Lorenz S.

    2008-01-01

    We address the nonadiabatic quantum dynamics of (macro)systems involving a vast number of nuclear degrees of freedom (modes) in the presence of conical intersections. The macrosystem is first decomposed into a system part carrying a few, strongly coupled modes, and an environment, comprising the remaining modes. By successively transforming the modes of the environment, a hierarchy of effective Hamiltonians for the environment can be constructed. Each effective Hamiltonian depends on a reduced number of effective modes, which carry cumulative effects. The environment is described by a few effective modes augmented by a residual environment. In practice, the effective modes can be added to the system's modes and the quantum dynamics of the entire macrosystem can be accurately calculated on a limited time-interval. For longer times, however, the residual environment plays a role. We investigate the possibility to treat fully quantum mechanically the system plus a few effective environmental modes, augmented by the dynamics of the residual environment treated by the time-dependent Hartree (TDH) approximation. While the TDH approximation is known to fail to correctly reproduce the dynamics in the presence of conical intersections, it is shown that its use on top of the effective-mode formalism leads to much better results. Two numerical examples are presented and discussed; one of them is known to be a critical case for the TDH approximation

  18. Observation and quantification of the quantum dynamics of a strong-field excited multi-level system.

    Science.gov (United States)

    Liu, Zuoye; Wang, Quanjun; Ding, Jingjie; Cavaletto, Stefano M; Pfeifer, Thomas; Hu, Bitao

    2017-01-04

    The quantum dynamics of a V-type three-level system, whose two resonances are first excited by a weak probe pulse and subsequently modified by another strong one, is studied. The quantum dynamics of the multi-level system is closely related to the absorption spectrum of the transmitted probe pulse and its modification manifests itself as a modulation of the absorption line shape. Applying the dipole-control model, the modulation induced by the second strong pulse to the system's dynamics is quantified by eight intensity-dependent parameters, describing the self and inter-state contributions. The present study opens the route to control the quantum dynamics of multi-level systems and to quantify the quantum-control process.

  19. A new time-frequency method to reveal quantum dynamics of atomic hydrogen in intense laser pulses: Synchrosqueezing transform

    International Nuclear Information System (INIS)

    Sheu, Yae-lin; Hsu, Liang-Yan; Wu, Hau-tieng; Li, Peng-Cheng; Chu, Shih-I

    2014-01-01

    This study introduces a new adaptive time-frequency (TF) analysis technique, the synchrosqueezing transform (SST), to explore the dynamics of a laser-driven hydrogen atom at an ab initio level, upon which we have demonstrated its versatility as a new viable venue for further exploring quantum dynamics. For a signal composed of oscillatory components which can be characterized by instantaneous frequency, the SST enables rendering the decomposed signal based on the phase information inherited in the linear TF representation with mathematical support. Compared with the classical type of TF methods, the SST clearly depicts several intrinsic quantum dynamical processes such as selection rules, AC Stark effects, and high harmonic generation

  20. Shallow gas incident in 3-ELPS-15D-SPS well; Incidente com shallow gas no poco 3-ELPS-15D-SPS

    Energy Technology Data Exchange (ETDEWEB)

    Ribeiro, Rubens Fausto [Agencia Nacional do Petroleo, Gas Natural e Biocombustiveis (ANP), Rio de Janeiro, RJ (Brazil)

    2004-07-01

    One of the concerns during the planning phase of an exploratory offshore well drilling is the possibility of occurrence of a shallow gas accumulation. In spite of being a rare event, taking into account that an event like this can have disastrous consequences, the cares to work with that type of incident cannot be despised. As example, in 2003, during the operations in the extension well 3-ELPS-15D-SPS, it happened the uncontrolled influx of water and gas to the bottom of the sea: the annular space between the 30'' and 13 3/8'' casings was not filled out with cement, allowing the flow from a shallow permeable interval to the bottom of the sea through the wellhead's cement return orifices, generating the need of an corrective action to make the abandonment of the well in accordance with the Regulation of Abandonment of Wells existent in Brazil. This work presents the mechanical conditions of the interval close to the wet wellhead of the 3-ELPS-15D-SPS, enumerating the sequence of operations accomplished to solve the problem. (author)

  1. Multi-valley effective mass theory for device-level modeling of open quantum dynamics

    Science.gov (United States)

    Jacobson, N. Tobias; Baczewski, Andrew D.; Frees, Adam; Gamble, John King; Montano, Ines; Moussa, Jonathan E.; Muller, Richard P.; Nielsen, Erik

    2015-03-01

    Simple models for semiconductor-based quantum information processors can provide useful qualitative descriptions of device behavior. However, as experimental implementations have matured, more specific guidance from theory has become necessary, particularly in the form of quantitatively reliable yet computationally efficient modeling. Besides modeling static device properties, improved characterization of noisy gate operations requires a more sophisticated description of device dynamics. Making use of recent developments in multi-valley effective mass theory, we discuss device-level simulations of the open system quantum dynamics of a qubit interacting with phonons and other noise sources. Sandia is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy National Nuclear Security Administration under Contract No. DE-AC04-94AL85000.

  2. Comment on "Modified quantum-speed-limit bounds for open quantum dynamics in quantum channels"

    Science.gov (United States)

    Mirkin, Nicolás; Toscano, Fabricio; Wisniacki, Diego A.

    2018-04-01

    In a recent paper [Phys. Rev. A 95, 052118 (2017), 10.1103/PhysRevA.95.052118], the authors claim that our criticism, in Phys. Rev. A 94, 052125 (2016), 10.1103/PhysRevA.94.052125, to some quantum speed limit bounds for open quantum dynamics that appeared recently in literature are invalid. According to the authors, the problem with our analysis would be generated by an artifact of the finite-precision numerical calculations. We analytically show here that it is not possible to have any inconsistency associated with the numerical precision of calculations. Therefore, our criticism of the quantum speed limit bounds continues to be valid.

  3. Quantum dynamics in transverse-field Ising models from classical networks

    Directory of Open Access Journals (Sweden)

    Markus Schmitt, Markus Heyl

    2018-02-01

    Full Text Available The efficient representation of quantum many-body states with classical resources is a key challenge in quantum many-body theory. In this work we analytically construct classical networks for the description of the quantum dynamics in transverse-field Ising models that can be solved efficiently using Monte Carlo techniques. Our perturbative construction encodes time-evolved quantum states of spin-1/2 systems in a network of classical spins with local couplings and can be directly generalized to other spin systems and higher spins. Using this construction we compute the transient dynamics in one, two, and three dimensions including local observables, entanglement production, and Loschmidt amplitudes using Monte Carlo algorithms and demonstrate the accuracy of this approach by comparisons to exact results. We include a mapping to equivalent artificial neural networks, which were recently introduced to provide a universal structure for classical network wave functions.

  4. Effects of the phase periodicity on the quantum dynamics of a resistively shunted Josephson junction

    International Nuclear Information System (INIS)

    Zwerger, W.; Dorsey, A.T.; Fisher, M.P.A.

    1986-01-01

    A phenomenological model is introduced for the dissipative quantum dynamics of the phase phi across a current-biased Josephson junction. The model is invariant under phi→phi+2π. This enables us to restrict phi to the interval 0 to 2π, equating phi+2π with phi, and study the role played by the resulting nontrivial topology. Using Feynman's influence functional theory it is shown that the dissipation suppresses interference between paths with different winding numbers. For Ohmic dissipation this interference is completely destroyed, and phi can effectively be treated as an extended coordinate. This justifies the use of the usual washboard potential description of a current-biased junction even in the quantum case, provided an Ohmic dissipation mechanism is present

  5. Quantum dynamics at finite temperature: Time-dependent quantum Monte Carlo study

    Energy Technology Data Exchange (ETDEWEB)

    Christov, Ivan P., E-mail: ivan.christov@phys.uni-sofia.bg

    2016-08-15

    In this work we investigate the ground state and the dissipative quantum dynamics of interacting charged particles in an external potential at finite temperature. The recently devised time-dependent quantum Monte Carlo (TDQMC) method allows a self-consistent treatment of the system of particles together with bath oscillators first for imaginary-time propagation of Schrödinger type of equations where both the system and the bath converge to their finite temperature ground state, and next for real time calculation where the dissipative dynamics is demonstrated. In that context the application of TDQMC appears as promising alternative to the path-integral related techniques where the real time propagation can be a challenge.

  6. Quantum dynamics via Planck-scale-stepped action-carrying 'Graph Paths'

    CERN Document Server

    Chew, Geoffrey Foucar

    2003-01-01

    A divergence-free, parameter-free, path-based discrete-time quantum dynamics is designed to not only enlarge the achievements of general relativity and the standard particle model, by approximations at spacetime scales far above Planck scale while far below Hubble scale, but to allow tackling of hitherto inaccessible questions. ''Path space'' is larger than and precursor to Hilbert-space basis. The wave-function-propagating paths are action-carrying structured graphs-cubic and quartic structured vertices connected by structured ''fermionic'' or ''bosonic'' ''particle'' and ''nonparticle'' arcs. A Planck-scale path step determines the gravitational constant while controlling all graph structure. The basis of the theory's (zero-rest-mass) elementary-particle Hilbert space (which includes neither gravitons nor scalar bosons) resides in particle arcs. Nonparticle arcs within a path are responsible for energy and rest mass.

  7. Morse oscillator propagator in the high temperature limit II: Quantum dynamics and spectroscopy

    Science.gov (United States)

    Toutounji, Mohamad

    2018-04-01

    This paper is a continuation of Paper I (Toutounji, 2017) of which motivation was testing the applicability of Morse oscillator propagator whose analytical form was derived by Duru (1983). This is because the Morse oscillator propagator was reported (Duru, 1983) in a triple-integral form of a functional of modified Bessel function of the first kind, which considerably limits its applicability. For this reason, I was prompted to find a regime under which Morse oscillator propagator may be simplified and hence be expressed in a closed-form. This was well accomplished in Paper I. Because Morse oscillator is of central importance and widely used in modelling vibrations, its propagator applicability will be extended to applications in quantum dynamics and spectroscopy as will be reported in this paper using the off-diagonal propagator of Morse oscillator whose analytical form is derived.

  8. Quantum dynamics manipulation using optimal control theory in the presence of laser field noise

    Science.gov (United States)

    Kumar, Praveen; Malinovskaya, Svetlana A.

    2010-08-01

    We discuss recent advances in optimal control theory (OCT) related to the investigation of the impact of control field noise on controllability of quantum dynamics. Two numerical methods, the gradient method and the iteration method, are paid particular attention. We analyze the problem of designing noisy control fields to maximize the vibrational transition probability in diatomic quantum systems, e.g. the HF and OH molecules. White noise is used as an additive random variable in the amplitude of the control field. It is demonstrated that the convergence is faster in the presence of noise and population transfer is increased by 0.04% for small values of noise compared to the field amplitude.

  9. Equivalence between classical and quantum dynamics. Neutral kaons and electric circuits

    International Nuclear Information System (INIS)

    Caruso, M.; Fanchiotti, H.; Canal, C.A. Garcia

    2011-01-01

    An equivalence between the Schroedinger dynamics of a quantum system with a finite number of basis states and a classical dynamics is presented. The equivalence is an isomorphism that connects in univocal way both dynamical systems. We treat the particular case of neutral kaons and found a class of electric networks uniquely related to the kaon system finding the complete map between the matrix elements of the effective Hamiltonian of kaons and those elements of the classical dynamics of the networks. As a consequence, the relevant ε parameter that measures CP violation in the kaon system is completely determined in terms of network parameters. - Highlights: → We provide a formal equivalence between classical and quantum dynamics. → We make use of the decomplexification concept. → Neutral kaon systems can be represented by electric circuits. → CP symmetry violation can be taken into account by non-reciprocity. → Non-reciprocity is represented by gyrators.

  10. Verifying detailed fluctuation relations for discrete feedback-controlled quantum dynamics

    Science.gov (United States)

    Camati, Patrice A.; Serra, Roberto M.

    2018-04-01

    Discrete quantum feedback control consists of a managed dynamics according to the information acquired by a previous measurement. Energy fluctuations along such dynamics satisfy generalized fluctuation relations, which are useful tools to study the thermodynamics of systems far away from equilibrium. Due to the practical challenge to assess energy fluctuations in the quantum scenario, the experimental verification of detailed fluctuation relations in the presence of feedback control remains elusive. We present a feasible method to experimentally verify detailed fluctuation relations for discrete feedback control quantum dynamics. Two detailed fluctuation relations are developed and employed. The method is based on a quantum interferometric strategy that allows the verification of fluctuation relations in the presence of feedback control. An analytical example to illustrate the applicability of the method is discussed. The comprehensive technique introduced here can be experimentally implemented at a microscale with the current technology in a variety of experimental platforms.

  11. Microcanonical ensemble and algebra of conserved generators for generalized quantum dynamics

    International Nuclear Information System (INIS)

    Adler, S.L.; Horwitz, L.P.

    1996-01-01

    It has recently been shown, by application of statistical mechanical methods to determine the canonical ensemble governing the equilibrium distribution of operator initial values, that complex quantum field theory can emerge as a statistical approximation to an underlying generalized quantum dynamics. This result was obtained by an argument based on a Ward identity analogous to the equipartition theorem of classical statistical mechanics. We construct here a microcanonical ensemble which forms the basis of this canonical ensemble. This construction enables us to define the microcanonical entropy and free energy of the field configuration of the equilibrium distribution and to study the stability of the canonical ensemble. We also study the algebraic structure of the conserved generators from which the microcanonical and canonical ensembles are constructed, and the flows they induce on the phase space. copyright 1996 American Institute of Physics

  12. Entropy production and nonequilibrium stationarity in quantum dynamical systems. Physical meaning of van Hove limit

    International Nuclear Information System (INIS)

    Ojima, Izumi

    1989-01-01

    With aid of the so-called dilation method, a concise formula is obtained for the entropy production in the algebraic formulation of quantum dynamical systems. In this framework, the initial ergodic state of an external force system plays a pivotal role in generating dissipativity as a conditional expectation. The physical meaning of van Hove limit is clarified through the scale-changing transformation to control transitions between microscopic and macroscopic levels. It plays a crucial role in realizing the macroscopic stationary in the presence of microscopic fluctuations as well as in the transition from non-Markovian (groupoid) dynamics to Markovian dissipative processes of state changes. The extension of the formalism to cases with spatial and internal inhomogeneity is indicated in the light of the groupoid dynamical systems and noncommutative integration theory

  13. Vibrational excitation of methane by positron impact: Computed quantum dynamics and sensitivity tests

    International Nuclear Information System (INIS)

    Nishimura, Tamio; Gianturco, Franco A.

    2002-01-01

    We report the quantum dynamical close-coupling equations relevant for vibrationally inelastic processes in low-energy collisions between a beam of positrons and the CH 4 molecule in the gas phase. The interaction potential is described in detail and we report also our numerical technique for solving the scattering equations. The cross sections are obtained for the excitations of all the modes of the title molecule and are compared both with simpler computational approximations and with the recent experiments for the two distinct energy regions that correspond to the combined symmetric and antisymmetric stretching modes and to twisting and scissoring modes, respectively. Our calculations reproduce well the shape and the values of the experimental findings and give useful insights into the microscopic dynamics for molecular excitation processes activated by low-energy positron scattering

  14. Quantum dynamics of a vibronically coupled linear chain using a surrogate Hamiltonian approach

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Myeong H., E-mail: myeong.lee@warwick.ac.uk; Troisi, Alessandro [Department of Chemistry and Centre for Scientific Computing, University of Warwick, Coventry CV4 7AL (United Kingdom)

    2016-06-07

    Vibronic coupling between the electronic and vibrational degrees of freedom has been reported to play an important role in charge and exciton transport in organic photovoltaic materials, molecular aggregates, and light-harvesting complexes. Explicitly accounting for effective vibrational modes rather than treating them as a thermal environment has been shown to be crucial to describe the effect of vibronic coupling. We present a methodology to study dissipative quantum dynamics of vibronically coupled systems based on a surrogate Hamiltonian approach, which is in principle not limited by Markov approximation or weak system-bath interaction, using a vibronic basis. We apply vibronic surrogate Hamiltonian method to a linear chain system and discuss how different types of relaxation process, intramolecular vibrational relaxation and intermolecular vibronic relaxation, influence population dynamics of dissipative vibronic systems.

  15. The Aharonov-Anandan phase of a classical dynamical system seen mathematically as a quantum dynamical system

    OpenAIRE

    Segre, Gavriel

    2005-01-01

    It is shown that the non-adiabatic Hannay's angle of an integrable non-degenerate classical hamiltonian dynamical system may be related to the Aharonov-Anandan phase it develops when it is looked mathematically as a quantum dynamical system.

  16. On planar quantum dynamics of a magnetic dipole moment in the presence of electric and magnetic fields

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Edilberto O. [Universidade Federal do Maranhao, Departamento de Fisica, Sao Luis, MA (Brazil)

    2014-10-15

    The planar quantum dynamics of a neutral particle with a magnetic dipole moment in the presence of electric and magnetic fields is considered. The criteria to establish the planar dynamics reveal that the resulting nonrelativistic Hamiltonian has a simplified expression without making approximations, and some terms have crucial importance for the system dynamics. (orig.)

  17. LOCATING THE TRAILING EDGE OF THE CIRCUMBINARY RING IN THE KH 15D SYSTEM

    International Nuclear Information System (INIS)

    Capelo, Holly L.; Herbst, William; Leggett, S. K.; Hamilton, Catrina M.; Johnson, John A.

    2012-01-01

    Following two years of complete occultation of both stars in the binary T Tauri star KH 15D by its opaque circumbinary ring, KH 15D has abruptly brightened again during apastron phases, reaching I = 15 mag. Here, we show that the brightening is accompanied by a change in spectral class from K6/K7 (the spectral class of star A) to ∼K1, and a bluing of the system in V – I by about 0.3 mag. A radial velocity measurement confirms that, at apastron, we are now seeing direct light from star B, which is more luminous and of earlier spectral class than star A. Evidently, the trailing edge of the occulting screen has just become tangent to one anse of star B's projected orbit. This confirms a prediction of the precession models, supports the view that the tilted ring is self-gravitating, and ushers in a new era of the system's evolution that should be accompanied by the same kind of dramatic phenomena observed from 1995 to 2009. It also promotes KH 15D from a single-lined to a double-lined eclipsing binary, greatly enhancing its value for testing pre-main-sequence models. The results of our study strengthen the case for truncation of the outer ring at around 4 AU by a sub-stellar object such as an extremely young giant planet. The system is currently at an optimal configuration for detecting the putative planet and we urge expedient follow-up observations.

  18. Parametrization of complex absorbing potentials for time-dependent quantum dynamics

    International Nuclear Information System (INIS)

    Vibok, A.; Balint-Kurti, G.G.

    1992-01-01

    Five different forms of complex absorbing potentials are examined and compared. Such potentials are needed to absorb wavepackets near the edges of grids in time-dependent quantum dynamical calculations. The extent to which the different potentials transmit or reflect an incident wavepacket is quantified, and optimal potential parameters to minimize both the reflection and transmission for each type of potential are derived. A rigorously derived scaling procedure, which permits the derivation of optimal potential parameters for use with any chosen mass or kinetic energy from those optimized for different conditions, is described. Tables are also presented which permit the immediate selection of the parameters for an absorbing potential of a particular form so as to allow a preselected (very small) degree of transmitted plus reflected probability to be attained. It is always desirable to devote a minimal region to the absorbing potential, while at the same time effectively absorbing all of the wavepacket and neither transmitting nor reflecting any of it. The tables presented here enable the use to easily select the potential parameters he will require to attain these goals. 23 refs., 7 figs., 4 tabs

  19. Theory of quantum dynamics in fermionic environment: an influence functional approach

    International Nuclear Information System (INIS)

    Chen, Y.

    1987-01-01

    Quantum dynamics of a particle coupled to a fermionic environment is considered, with particular emphasis on the formulation of macroscopic quantum phenomena. The framework is based on a path integral formalism for the real-time density matrix. After integrating out of the fermion variables of the environment, they embed the whole environmental effects on the particle into the so-called influence functional in analogy to Feynman and Vernon's initial work. They then show that to the second order of the coupling constant, the exponent of the influence functional is in exact agreement with that due to a linear dissipative environment (boson bath). Having obtained this, they turn to a specific model in which the influence functional can be exactly evaluated in a long-term limit (long compared to the inverse of the cutoff frequency of the environmental spectrum). In this circumstance, they mainly address their attention to the quantum mechanical representation of the system-plus-environment from the known classical properties of the particle. It is shown that, in particular, the equivalence between the fermion bath and the boson bath is generally correct for a single-channel coupling provided they make a simple mapping between the nonlinear interaction functions of the baths. Finally, generalizations of the model to more complicated situations are discussed and significant applications and connections to certain practically interesting problems are mentioned

  20. Quantum dynamics of small Josephson junctions: an application to superconductivity in granular films

    International Nuclear Information System (INIS)

    Fisher, M.P.A.

    1986-01-01

    This thesis is devoted to a study of the quantum dynamics of small Josephson junctions. Of interest are those features of the junction's behavior which depend explicitly on the quantum mechanical nature of the phase difference phi between the superconductors. In Chapters I and II several calculations are described which focus on the junction's DC resistance. A fully quantum mechanical Hamiltonian is employed that incorporates the dissipative effects due to the unpaired electrons by coupling to a bath of harmonic oscillators. It is shown that the model exhibits a novel zero temperature phase transition as a function of the strength of the dissipation. In the low dissipation regime the phase is free to tunnel quantum mechanically and the junction's resistance is finite; in response to an external current, tunnelling induces successive 2π phase slips leading to a finite voltage state. In contrast, in the high dissipation regime, tunnelling is suppressed and the junction behaves as a superconductor carrying current with no resistive losses. In Chapters III and IV, these results are applied in an attempt to explain the recent observation that in ultra thin Sn films there is apparently a universal normal state sheet resistance above which superconductivity cannot be established

  1. Quantum dynamics of nuclear spins and spin relaxation in organic semiconductors

    Science.gov (United States)

    Mkhitaryan, V. V.; Dobrovitski, V. V.

    2017-06-01

    We investigate the role of the nuclear-spin quantum dynamics in hyperfine-induced spin relaxation of hopping carriers in organic semiconductors. The fast-hopping regime, when the carrier spin does not rotate much between subsequent hops, is typical for organic semiconductors possessing long spin coherence times. We consider this regime and focus on a carrier random-walk diffusion in one dimension, where the effect of the nuclear-spin dynamics is expected to be the strongest. Exact numerical simulations of spin systems with up to 25 nuclear spins are performed using the Suzuki-Trotter decomposition of the evolution operator. Larger nuclear-spin systems are modeled utilizing the spin-coherent state P -representation approach developed earlier. We find that the nuclear-spin dynamics strongly influences the carrier spin relaxation at long times. If the random walk is restricted to a small area, it leads to the quenching of carrier spin polarization at a nonzero value at long times. If the random walk is unrestricted, the carrier spin polarization acquires a long-time tail, decaying as 1 /√{t } . Based on the numerical results, we devise a simple formula describing the effect quantitatively.

  2. Relativistic quantum dynamics of scalar bosons under a full vector Coulomb interaction

    Energy Technology Data Exchange (ETDEWEB)

    Castro, Luis B. [Universidade Federal do Maranhao (UFMA), Departamento de Fisica, Sao Luis, MA (Brazil); Oliveira, Luiz P. de [Universidade de Sao Paulo (USP), Instituto de Fisica, Sao Paulo, SP (Brazil); Garcia, Marcelo G. [Instituto Tecnologico de Aeronautica (ITA), Departamento de Fisica, Sao Jose dos Campos, SP (Brazil); Universidade Estadual de Campinas (UNICAMP), IMECC, Departamento de Matematica Aplicada, Campinas, SP (Brazil); Castro, Antonio S. de [Universidade Estadual Paulista (UNESP), Departamento de Fisica e Quimica, Guaratingueta, SP (Brazil)

    2017-05-15

    The relativistic quantum dynamics of scalar bosons in the background of a full vector coupling (minimal plus nonminimal vector couplings) is explored in the context of the Duffin-Kemmer-Petiau formalism. The Coulomb phase shift is determined for a general mixing of couplings and it is shown that the space component of the nonminimal coupling is a sine qua non condition for the exact closed-form scattering amplitude. It follows that the Rutherford cross section vanishes in the absence of the time component of the minimal coupling. Bound-state solutions obtained from the poles of the partial scattering amplitude show that the time component of the minimal coupling plays an essential role. The bound-state solutions depend on the nonminimal coupling and the spectrum consists of particles or antiparticles depending on the sign of the time component of the minimal coupling without chance for pair production even in the presence of strong couplings. It is also shown that an accidental degeneracy appears for a particular mixing of couplings. (orig.)

  3. Time-reversal symmetric work distributions for closed quantum dynamics in the histories framework

    International Nuclear Information System (INIS)

    Miller, Harry J D; Anders, Janet

    2017-01-01

    A central topic in the emerging field of quantum thermodynamics is the definition of thermodynamic work in the quantum regime. One widely used solution is to define work for a closed system undergoing non-equilibrium dynamics according to the two-point energy measurement scheme. However, due to the invasive nature of measurement the two-point quantum work probability distribution cannot describe the statistics of energy change from the perspective of the system alone. We here introduce the quantum histories framework as a method to characterise the thermodynamic properties of the unmeasured , closed dynamics. Constructing continuous power operator trajectories allows us to derive an alternative quantum work distribution for closed quantum dynamics that fulfils energy conservation and is time-reversal symmetric. This opens the possibility to compare the measured work with the unmeasured work, contrasting with the classical situation where measurement does not affect the work statistics. We find that the work distribution of the unmeasured dynamics leads to deviations from the classical Jarzynski equality and can have negative values highlighting distinctly non-classical features of quantum work. (fast track communication)

  4. Femtosecond quantum dynamics and laser-cooling in thermal molecular systems

    International Nuclear Information System (INIS)

    Warmuth, C.

    2000-01-01

    This work deals with coherent and incoherent vibrational phenomena in thermal systems, wave packet motion and laser-cooling. In the first part, the principle of COIN (Coherence Observation by Interference Noise) has been applied as a new approach to measuring wave packet motion. In the experiment pairs of phase-randomized femtosecond pulses with relative delay-time τ prepare interference fluctuations in the excited state population, so the variance of the correlated fluorescence intensity directly mimics the dynamics of the propagating wave packet. The scheme is demonstrated by measuring the vibrational coherence of wave packet-motion in the B-state of gaseous iodine. The COIN-interferograms obtained recover propagation, recurrences, spreading, and revivals as the typical signature of wave packets. Due to the disharmony of the B-state-potential, fractional revivals have also been found showing the potential of the COIN-technique in quantum-dynamical research. In the second part the fluorescence lifetime of trans-stilbene, isolated and in the presence of 1 atm of Ar gas, respectively, was measured as a function of the detuning of the excitation frequency from the frequency of the 0-0-transition ω 0 . The lifetime was found to decrease on both sides of ω 0 , but the dependence of the lifetime on detuning in the presence of Ar gas is much weaker than for the isolated molecule. Both observations corroborate previous theoretical predictions of laser-cooling of thermal trans-stilbene upon excitation at the ω 0 frequency. The experimental results are in good agreement with theoretical analysis. (author)

  5. Voltage-Controlled Quantum Dynamics and Generation Entanglement between Two Separated Quantum-Dot Molecules Embedded in Photonic Crystal Cavities

    International Nuclear Information System (INIS)

    Cheng Mu-Tian; Song Yan-Yan; Ma Xiao-San; Wang Xia

    2014-01-01

    Voltage-controlled quantum dynamics of two quantum-dot molecules (QDMs) embedded in two separated photonic crystal cavities are theoretically investigated. We show numerically that generation of entangled states and population transfer between the two QDMs can be realized with the same coupling parameters. The effects of parameters deviation and dissipations on generation entangled states and populations transfer are also discussed. The results may be used for realization of new-type of solid state quantum devices and integrated electro-optical devices

  6. The continuous 1.5D terrain guarding problem: Discretization, optimal solutions, and PTAS

    Directory of Open Access Journals (Sweden)

    Stephan Friedrichs

    2016-05-01

    Full Text Available In the NP-hard continuous 1.5D Terrain Guarding Problem (TGP we are given an $x$-monotone chain of line segments in $R^2$ (the terrain $T$, and ask for the minimum number of guards (located anywhere on $T$ required to guard all of $T$. We construct guard candidate and witness sets $G, W \\subset T$ of polynomial size such that any feasible (optimal guard cover $G^* \\subseteq G$ for $W$ is also feasible (optimal for the continuous TGP. This discretization allows us to: (1 settle NP-completeness for the continuous TGP; (2 provide a Polynomial Time Approximation Scheme (PTAS for the continuous TGP using the PTAS for the discrete TGP by Gibson et al.; (3 formulate the continuous TGP as an Integer Linear Program (IP. Furthermore, we propose several filtering techniques reducing the size of our discretization, allowing us to devise an efficient IP-based algorithm that reliably provides optimal guard placements for terrains with up to $10^6$ vertices within minutes on a standard desktop computer.

  7. Efficient parallel implementations of approximation algorithms for guarding 1.5D terrains

    Directory of Open Access Journals (Sweden)

    Goran Martinović

    2015-03-01

    Full Text Available In the 1.5D terrain guarding problem, an x-monotone polygonal line is dened by k vertices and a G set of terrain points, i.e. guards, and a N set of terrain points which guards are to observe (guard. This involves a weighted version of the guarding problem where guards G have weights. The goal is to determine a minimum weight subset of G to cover all the points in N, including a version where points from N have demands. Furthermore, another goal is to determine the smallest subset of G, such that every point in N is observed by the required number of guards. Both problems are NP-hard and have a factor 5 approximation [3, 4]. This paper will show that if the (1+ϵ-approximate solver for the corresponding linear program is a computer, for any ϵ > 0, an extra 1+ϵ factor will appear in the final approximation factor for both problems. A comparison will be carried out the parallel implementation based on GPU and CPU threads with the Gurobi solver, leading to the conclusion that the respective algorithm outperforms the Gurobi solver on large and dense inputs typically by one order of magnitude.

  8. Airborne gamma-ray spectrometry data processing using 1.5D inversion.

    Science.gov (United States)

    Druker, Eugene

    2017-10-01

    Standard processing of Airborne Gamma-Ray Spectrometry data generally gives good results when the measurement conditions are almost constant within several footprint area sizes, with the possible exception of flight height variations in a small range. In practice, deviations, such as large or abrupt changes of flight height and/or rugged terrain are not so rare and lead to certain problems. This article proposes a different approach where the solutions of inverse problems are used for data processing. The approach is quite natural in the processing of field data measured along the flight lines: it explicitly takes into account 1.5D survey models and flight parameters - from topography to sources distribution on the surface. Also, it clearly demonstrates that the inverse problem of the Airborne Gamma-Ray Spectrometry does not have a unique solution. This feature can be used in accordance with the underlying geological problem since various formulations of inverse problems can lead to various geological solutions. The use of the approach is illustrated by several examples given for flight lines and survey areas. This approach can be particularly useful in situations where geological, geophysical and/or geographic survey conditions are far from the standard assumptions. Copyright © 2017 Elsevier Ltd. All rights reserved.

  9. 1.5D quasilinear model and its application on beams interacting with Alfven eigenmodes in DIII-D

    Energy Technology Data Exchange (ETDEWEB)

    Ghantous, K.; Gorelenkov, N. N. [Princeton Plasma Physics Laboratory, PO Box 451, Princeton, New Jersey 08543-0451 (United States); Berk, H. L. [Institute for Fusion Studies, University of Texas, 2100 San Jacinto Blvd., Austin, Texas 78712-1047 (United States); Heidbrink, W. W. [Department of Physics and Astronomy, University of California Irvine, Irvine, California 92697 (United States); Van Zeeland, M. A. [General Atomics, PO Box 85608, San Diego, California 92186-560 (United States)

    2012-09-15

    We propose a model, denoted here by 1.5D, to study energetic particle (EP) interaction with toroidal Alfvenic eigenmodes (TAE) in the case where the local EP drive for TAE exceeds the stability limit. Based on quasilinear theory, the proposed 1.5D model assumes that the particles diffuse in phase space, flattening the pressure profile until its gradient reaches a critical value where the modes stabilize. Using local theories and NOVA-K simulations of TAE damping and growth rates, the 1.5D model calculates the critical gradient and reconstructs the relaxed EP pressure profile. Local theory is improved from previous study by including more sophisticated damping and drive mechanisms such as the numerical computation of the effect of the EP finite orbit width on the growth rate. The 1.5D model is applied on the well-diagnosed DIII-D discharges no. 142111 [M. A. Van Zeeland et al., Phys. Plasmas 18, 135001 (2011)] and no. 127112 [W. W. Heidbrink et al., Nucl. Fusion. 48, 084001 (2008)]. We achieved a very satisfactory agreement with the experimental results on the EP pressure profiles redistribution and measured losses. This agreement of the 1.5D model with experimental results allows the use of this code as a guide for ITER plasma operation where it is desired to have no more than 5% loss of fusion alpha particles as limited by the design.

  10. Accurate nonadiabatic quantum dynamics on the cheap: making the most of mean field theory with master equations.

    Science.gov (United States)

    Kelly, Aaron; Brackbill, Nora; Markland, Thomas E

    2015-03-07

    In this article, we show how Ehrenfest mean field theory can be made both a more accurate and efficient method to treat nonadiabatic quantum dynamics by combining it with the generalized quantum master equation framework. The resulting mean field generalized quantum master equation (MF-GQME) approach is a non-perturbative and non-Markovian theory to treat open quantum systems without any restrictions on the form of the Hamiltonian that it can be applied to. By studying relaxation dynamics in a wide range of dynamical regimes, typical of charge and energy transfer, we show that MF-GQME provides a much higher accuracy than a direct application of mean field theory. In addition, these increases in accuracy are accompanied by computational speed-ups of between one and two orders of magnitude that become larger as the system becomes more nonadiabatic. This combination of quantum-classical theory and master equation techniques thus makes it possible to obtain the accuracy of much more computationally expensive approaches at a cost lower than even mean field dynamics, providing the ability to treat the quantum dynamics of atomistic condensed phase systems for long times.

  11. Accurate nonadiabatic quantum dynamics on the cheap: Making the most of mean field theory with master equations

    Energy Technology Data Exchange (ETDEWEB)

    Kelly, Aaron; Markland, Thomas E., E-mail: tmarkland@stanford.edu [Department of Chemistry, Stanford University, Stanford, California 94305 (United States); Brackbill, Nora [Department of Physics, Stanford University, Stanford, California 94305 (United States)

    2015-03-07

    In this article, we show how Ehrenfest mean field theory can be made both a more accurate and efficient method to treat nonadiabatic quantum dynamics by combining it with the generalized quantum master equation framework. The resulting mean field generalized quantum master equation (MF-GQME) approach is a non-perturbative and non-Markovian theory to treat open quantum systems without any restrictions on the form of the Hamiltonian that it can be applied to. By studying relaxation dynamics in a wide range of dynamical regimes, typical of charge and energy transfer, we show that MF-GQME provides a much higher accuracy than a direct application of mean field theory. In addition, these increases in accuracy are accompanied by computational speed-ups of between one and two orders of magnitude that become larger as the system becomes more nonadiabatic. This combination of quantum-classical theory and master equation techniques thus makes it possible to obtain the accuracy of much more computationally expensive approaches at a cost lower than even mean field dynamics, providing the ability to treat the quantum dynamics of atomistic condensed phase systems for long times.

  12. The effect of classical and quantum dynamics on vibrational frequency shifts of H2 in clathrate hydrates

    International Nuclear Information System (INIS)

    Plattner, Nuria; Meuwly, Markus

    2014-01-01

    Vibrational frequency shifts of H 2 in clathrate hydrates are important to understand the properties and elucidate details of the clathrate structure. Experimental spectra of H 2 in clathrate hydrates have been measured for different clathrate compositions, temperatures, and pressures. In order to establish reliable relationships between the clathrate structure, dynamics, and observed frequencies, calculations of vibrational frequency shifts in different clathrate environments are required. In this study, a combination of classical molecular dynamics simulations, electronic structure calculations, and quantum dynamical simulation is used to calculate relative vibrational frequencies of H 2 in clathrate hydrates. This approach allows us to assess dynamical effects and simulate the change of vibrational frequencies with temperature and pressure. The frequency distributions of the H 2 vibrations in the different clathrate cage types agree favorably with experiment. Also, the simulations demonstrate that H 2 in the 5 12 cage is more sensitive to the details of the environment and to quantum dynamical effects, in particular when the cage is doubly occupied. We show that for the 5 12 cage quantum effects lead to frequency increases and double occupation is unlikely. This is different for the 5 12 6 4 cages for which higher occupation numbers than one H 2 per cage are likely

  13. Signatures of a quantum dynamical phase transition in a three-spin system in presence of a spin environment

    International Nuclear Information System (INIS)

    Alvarez, Gonzalo A.; Levstein, Patricia R.; Pastawski, Horacio M.

    2007-01-01

    We have observed an environmentally induced quantum dynamical phase transition in the dynamics of a two-spin experimental swapping gate [G.A. Alvarez, E.P. Danieli, P.R. Levstein, H.M. Pastawski, J. Chem. Phys. 124 (2006) 194507]. There, the exchange of the coupled states vertical bar ↑,↓> and vertical bar ↓,↑> gives an oscillation with a Rabi frequency b/ℎ (the spin-spin coupling). The interaction, ℎ/τ SE with a spin-bath degrades the oscillation with a characteristic decoherence time. We showed that the swapping regime is restricted only to bτ SE > or approx. ℎ. However, beyond a critical interaction with the environment the swapping freezes and the system enters to a Quantum Zeno dynamical phase where relaxation decreases as coupling with the environment increases. Here, we solve the quantum dynamics of a two-spin system coupled to a spin-bath within a Liouville-von Neumann quantum master equation and we compare the results with our previous work within the Keldysh formalism. Then, we extend the model to a three interacting spin system where only one is coupled to the environment. Beyond a critical interaction the two spins not coupled to the environment oscillate with the bare Rabi frequency and relax more slowly. This effect is more pronounced when the anisotropy of the system-environment (SE) interaction goes from a purely XY to an Ising interaction form

  14. Verification of MC{sup 2}-3 Doppler Sample Models in ZPPR-15 D Experiments

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Min Jae; Hartanto, Donny; Kim, Sang Ji [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2016-10-15

    In this paper, the change of reaction rate and broadened cross section were estimated by as-built MCNP models for metallic uranium sample in ZPPR-15D using ENDF/B-VII.0 library, and the results were compared with deterministic calculations provided in previous work. The Doppler broadening is an instant feedback mechanism that improves safety and stability for both thermal and fast reactors. Therefore, the accuracy of Doppler coefficient becomes an important parameter in reactor design as well as in the safety analysis. The capability of the Doppler worth calculation by a modern computer code suites such as MC2-3 and DIF3DVARIANT, has been validated against the Zero Power Physics Reactor-15 (ZPPR-15) Doppler worth measurement experiments. For the same experiments, our previous work suggested four different MC2-3 Doppler sample models for enhanced accuracy, which are combinations of heterogeneous models and the super cell approach. The MOC and MOC-SPC models showed the smallest error in estimating the U-238 total cross section of Doppler sample N-11, and the Doppler broadening effects are well applied to the cross section compared to other two models, HOM and SPC. The effects of the super cell approach can be hardly seen, since the broadened cross section is almost the same with and without the super cell approach. Comparing the transition of reaction density, MOC and MOC-SPC models also show similar behavior as MCNP's with minor errors. As a conclusion, we could obtain more consistent broadened cross section as well as reaction density transition by providing heterogeneous models from MC2-3's MOC module.

  15. SEEING THROUGH THE RING: NEAR-INFRARED PHOTOMETRY OF V582 MON (KH 15D)

    Energy Technology Data Exchange (ETDEWEB)

    Arulanantham, Nicole A.; Herbst, William [Astronomy Department, Wesleyan University, Middletown, CT 06459 (United States); Cody, Ann Marie [NASA Ames Research Center, Moffett Field, CA 94035 (United States); Stauffer, John R.; Rebull, Luisa M. [Spitzer Science Center, California Institute of Technology, Pasadena, CA 91125 (United States); Agol, Eric; Windemuth, Diana [Department of Astronomy, University of Washington, Seattle, WA 98195-1580 (United States); Marengo, Massimo [Department of Physics and Astronomy, Iowa State University, Ames, IA 50011 (United States); Winn, Joshua N. [Department of Physics and Kavli Institute for Astrophysics and Space Research, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Hamilton, Catrina M. [Physics and Astronomy Department, Dickinson College, Carlisle, PA 17013 (United States); Mundt, Reinhard [Max Planck Institute for Astronomy, D-69117 Heidelberg (Germany); Johns-Krull, Christopher M. [Department of Physics and Astronomy, Rice University, Houston, TX 77005 (United States); Gutermuth, Robert A. [Department of Astronomy, University of Massachusetts, Amherst, MA 01002 (United States)

    2016-04-15

    We examine the light and color evolution of the T Tauri binary KH 15D through photometry obtained at wavelengths between 0.55 and 8.0 μm. The data were collected with A Novel Dual Imaging CAMera (ANDICAM) on the 1.3 m SMARTS telescope at Cerro-Tololo Inter-American Observatory and with InfraRed Array Camera on the Spitzer Space Telescope. We show that the system’s circumbinary ring, which acts as a screen that covers and uncovers different portions of the binary orbit as the ring precesses, has reached an orientation where the brighter component (star B) fully or nearly fully emerges during each orbital cycle. The fainter component (star A) remains fully occulted by the screen at all phases. The leading and trailing edges of the screen move across the sky at the same rate of ∼15 m s{sup −1}, consistent with expectation for a ring with a radius and width of ∼4 au and a precession period of ∼6500 years. Light and color variations continue to indicate that the screen is sharp edged and opaque at VRIJH wavelengths. However, we find an increasing transparency of the ring edge at 2.2, 3.6, and 4.5 μm. Reddening seen at the beginning of the eclipse that occurred during the CSI 2264 campaign particularly suggests selective extinction by a population of large dust grains. Meanwhile, the gradual bluing observed while star B is setting is indicative of forward scattering effects at the edge of the ring. The spectral energy distribution of the system at its bright phase shows no evidence of infrared excess emission that can be attributed to radiation from the ring or other dust component out to 8 μm.

  16. Simulation of transport in the ignited ITER with 1.5-D predictive code

    International Nuclear Information System (INIS)

    Becker, G.

    1995-01-01

    The confinement in the bulk and scrape-off layer plasmas of the ITER EDA and CDA is investigated with special versions of the 1.5-D BALDUR predictive transport code for the case of peaked density profiles (C υ = 1.0). The code self-consistently computes 2-D equilibria and solves 1-D transport equations with empirical transport coefficients for the ohmic, L and ELMy H mode regimes. Self-sustained steady state thermonuclear burn is demonstrated for up to 500 s. It is shown to be compatible with the strong radiation losses for divertor heat load reduction caused by the seeded impurities iron, neon and argon. The corresponding global and local energy and particle transport are presented. The required radiation corrected energy confinement times of the EDA and CDA are found to be close to 4 s. In the reference cases, the steady state helium fraction is 7%. The fractions of iron, neon and argon needed for the prescribed radiative power loss are given. It is shown that high radiative losses from the confinement zone, mainly by bremsstrahlung, cannot be avoided. The radiation profiles of iron and argon are found to be the same, with two thirds of the total radiation being emitted from closed flux surfaces. Fuel dilution due to iron and argon is small. The neon radiation is more peripheral. But neon is found to cause high fuel dilution. The combined dilution effect by helium and neon conflicts with burn control, self-sustained burn and divertor power reduction. Raising the helium fraction above 10% leads to the same difficulties owing to fuel dilution. The high helium levels of the present EDA design are thus unacceptable. The bootstrap current has only a small impact on the current profile. The sawtooth dominated region is found to cover 35% of the plasma cross-section. Local stability analysis of ideal ballooning modes shows that the plasma is everywhere well below the stability limit. 23 refs, 34 figs, 3 tabs

  17. UNTANGLING THE NEAR-IR SPECTRAL FEATURES IN THE PROTOPLANETARY ENVIRONMENT OF KH 15D

    Energy Technology Data Exchange (ETDEWEB)

    Arulanantham, Nicole A.; Herbst, William; Gilmore, Martha S.; Cauley, P. Wilson [Astronomy Department, Wesleyan University, Middletown, CT 06459 (United States); Leggett, S. K., E-mail: nicole.arulanantham@colorado.edu [Gemini Observatory (North), Hilo, HI 96720 (United States)

    2017-01-10

    We report on Gemini/GNIRS observations of the binary T Tauri system V582 Mon (KH 15D) at three orbital phases. These spectra allow us to untangle five components of the system: the photosphere and magnetosphere of star B, the jet, scattering properties of the ring material, and excess near-infrared (near-IR) radiation previously attributed to a possible self-luminous planet. We confirm an early-K subgiant classification for star B and show that the magnetospheric He i emission line is variable, possibly indicating increased mass accretion at certain times. As expected, the H{sub 2} emission features associated with the inner part of the jet show no variation with orbital phase. We show that the reflectance spectrum for the scattered light has a distinctive blue slope and spectral features consistent with scattering and absorption by a mixture of water and methane ice grains in the 1–50 μ m size range. This suggests that the methane frost line is closer than ∼5 au in this system, requiring that the grains be shielded from direct radiation. After correcting for features from the scattered light, jet, magnetosphere, and photosphere, we confirm the presence of leftover near-IR light from an additional source, detectable near minimum brightness. A spectral emission feature matching the model spectrum of a 10 M {sub J}, 1 Myr old planet is found in the excess flux, but other expected features from this model are not seen. Our observations, therefore, tentatively support the picture that a luminous planet is present within the system, although they cannot yet be considered definitive.

  18. The Na+ transporter, TaHKT1;5-D, limits shoot Na+ accumulation in bread wheat

    KAUST Repository

    Byrt, Caitlin Siobhan

    2014-10-01

    Bread wheat (Triticum aestivum L.) has a major salt tolerance locus, Kna1, responsible for the maintenance of a high cytosolic K+/Na+ ratio in the leaves of salt stressed plants. The Kna1 locus encompasses a large DNA fragment, the distal 14% of chromosome 4DL. Limited recombination has been observed at this locus making it difficult to map genetically and identify the causal gene. Here, we decipher the function of TaHKT1;5-D, a candidate gene underlying the Kna1 locus. Transport studies using the heterologous expression systems Saccharomyces cerevisiae and Xenopus laevis oocytes indicated that TaHKT1;5-D is a Na+-selective transporter. Transient expression in Arabidopsis thaliana mesophyll protoplasts and in situ polymerase chain reaction indicated that TaHKT1;5-D is localised on the plasma membrane in the wheat root stele. RNA interference-induced silencing decreased the expression of TaHKT1;5-D in transgenic bread wheat lines which led to an increase in the Na+ concentration in the leaves. This indicates that TaHKT1;5-D retrieves Na+ from the xylem vessels in the root and has an important role in restricting the transport of Na+ from the root to the leaves in bread wheat. Thus, TaHKT1;5-D confers the essential salinity tolerance mechanism in bread wheat associated with the Kna1 locus via shoot Na+ exclusion and is critical in maintaining a high K+/Na+ ratio in the leaves. These findings show there is potential to increase the salinity tolerance of bread wheat by manipulation of HKT1;5 genes.

  19. The Na+ transporter, TaHKT1;5-D, limits shoot Na+ accumulation in bread wheat

    KAUST Repository

    Byrt, Caitlin Siobhan; Xu, Bo; Krishnan, Mahima; Lightfoot, Damien; Athman, Asmini; Jacobs, Andrew Keith; Watson-Haigh, Nathan S.; Plett, Darren; Munns, Rana; Tester, Mark A.; Gilliham, Matthew

    2014-01-01

    Bread wheat (Triticum aestivum L.) has a major salt tolerance locus, Kna1, responsible for the maintenance of a high cytosolic K+/Na+ ratio in the leaves of salt stressed plants. The Kna1 locus encompasses a large DNA fragment, the distal 14% of chromosome 4DL. Limited recombination has been observed at this locus making it difficult to map genetically and identify the causal gene. Here, we decipher the function of TaHKT1;5-D, a candidate gene underlying the Kna1 locus. Transport studies using the heterologous expression systems Saccharomyces cerevisiae and Xenopus laevis oocytes indicated that TaHKT1;5-D is a Na+-selective transporter. Transient expression in Arabidopsis thaliana mesophyll protoplasts and in situ polymerase chain reaction indicated that TaHKT1;5-D is localised on the plasma membrane in the wheat root stele. RNA interference-induced silencing decreased the expression of TaHKT1;5-D in transgenic bread wheat lines which led to an increase in the Na+ concentration in the leaves. This indicates that TaHKT1;5-D retrieves Na+ from the xylem vessels in the root and has an important role in restricting the transport of Na+ from the root to the leaves in bread wheat. Thus, TaHKT1;5-D confers the essential salinity tolerance mechanism in bread wheat associated with the Kna1 locus via shoot Na+ exclusion and is critical in maintaining a high K+/Na+ ratio in the leaves. These findings show there is potential to increase the salinity tolerance of bread wheat by manipulation of HKT1;5 genes.

  20. Active Control of Inlet Noise on the JT15D Turbofan Engine

    Science.gov (United States)

    Smith, Jerome P.; Hutcheson, Florence V.; Burdisso, Ricardo A.; Fuller, Chris R.

    1999-01-01

    This report presents the key results obtained by the Vibration and Acoustics Laboratories at Virginia Tech over the year from November 1997 to December 1998 on the Active Noise Control of Turbofan Engines research project funded by NASA Langley Research Center. The concept of implementing active noise control techniques with fuselage-mounted error sensors is investigated both analytically and experimentally. The analytical part of the project involves the continued development of an advanced modeling technique to provide prediction and design guidelines for application of active noise control techniques to large, realistic high bypass engines of the type on which active control methods are expected to be applied. Results from the advanced analytical model are presented that show the effectiveness of the control strategies, and the analytical results presented for fuselage error sensors show good agreement with the experimentally observed results and provide additional insight into the control phenomena. Additional analytical results are presented for active noise control used in conjunction with a wavenumber sensing technique. The experimental work is carried out on a running JT15D turbofan jet engine in a test stand at Virginia Tech. The control strategy used in these tests was the feedforward Filtered-X LMS algorithm. The control inputs were supplied by single and multiple circumferential arrays of acoustic sources equipped with neodymium iron cobalt magnets mounted upstream of the fan. The reference signal was obtained from an inlet mounted eddy current probe. The error signals were obtained from a number of pressure transducers flush-mounted in a simulated fuselage section mounted in the engine test cell. The active control methods are investigated when implemented with the control sources embedded within the acoustically absorptive material on a passively-lined inlet. The experimental results show that the combination of active control techniques with fuselage

  1. Intense field stabilization in circular polarization: Three-dimensional time-dependent dynamics

    International Nuclear Information System (INIS)

    Choi, Dae-Il; Chism, Will

    2002-01-01

    We investigate the stabilization of hydrogen atoms in a circularly polarized laser field. We use a three-dimensional, time-dependent approach to study the quantum dynamics of hydrogen atoms subject to high-intensity, short-wavelength, laser pulses. We find an enhanced survival probability as the field is increased under fixed envelope conditions. We also confirm wave packet behaviors previously seen in two-dimensional time-dependent computations

  2. Comparing 15D Valuation Studies in Norway and Finland-Challenges When Combining Information from Several Valuation Tasks.

    Science.gov (United States)

    Michel, Yvonne Anne; Augestad, Liv Ariane; Rand, Kim

    2018-04-01

    The 15D is a generic preference-based health-related quality-of-life instrument developed in Finland. Values for the 15D instrument are estimated by combining responses to three distinct valuation tasks. The impact of how these tasks are combined is relatively unexplored. To compare 15D valuation studies conducted in Norway and Finland in terms of scores assigned in the valuation tasks and resulting value algorithms, and to discuss the contributions of each task and the algorithm estimation procedure to observed differences. Norwegian and Finnish scores from the three valuation tasks were compared using independent samples t tests and Lin concordance correlation coefficients. Covariance between tasks was assessed using Pearson product-moment correlations. Norwegian and Finnish value algorithms were compared using concordance correlation coefficients, total ranges, and ranges for individual dimensions. Observed differences were assessed using minimal important difference. Mean scores in the main valuation task were strikingly similar between the two countries, whereas the final value algorithms were less similar. The largest differences between Norway and Finland were observed for depression, vision, and mental function. 15D algorithms are a product of combining scores from three valuation tasks by use of methods involving multiplication. This procedure used to combine scores from the three tasks by multiplication serves to amplify variance from each task. From relatively similar responses in Norway and Finland, diverging value algorithms are created. We propose to simplify the 15D algorithm estimation procedure by using only one of the valuation tasks. Copyright © 2018 International Society for Pharmacoeconomics and Outcomes Research (ISPOR). Published by Elsevier Inc. All rights reserved.

  3. Multi-mode-multi-state quantum dynamics of key five-membered heterocycles: spectroscopy and ultrafast internal conversion

    International Nuclear Information System (INIS)

    Koeppel, H.; Gromov, E.V.; Trofimov, A.B.

    2004-01-01

    The multi-mode and multi-state vibronic interactions in the heterocyclic molecules furan, pyrrole, thiophene and their radical cations are investigated theoretically, employing a linear vibronic coupling scheme. The underlying system parameters are determined from large-scale ab initio computations. Previous time-independent dynamical calculations on the radical cations are extended by wave-packet propagations (using the MCTDH method) confirming the strong nonadiabatic coupling effects. For the singlet excited states of furan and thiophene quantum dynamical calculations are presented which go beyond the two-state approximation frequently applied in the literature. The characteristic spectral structures are well reproduced, especially in the case of furan. The implications of these results on the photochemical reaction dynamics of these species are discussed

  4. Quantum Dynamics Study of the Isotopic Effect on Capture Reactions: HD, D2 + CH3

    Science.gov (United States)

    Wang, Dunyou; Kwak, Dochan (Technical Monitor)

    2002-01-01

    Time-dependent wave-packet-propagation calculations are reported for the isotopic reactions, HD + CH3 and D2 + CH3, in six degrees of freedom and for zero total angular momentum. Initial state selected reaction probabilities for different initial rotational-vibrational states are presented in this study. This study shows that excitations of the HD(D2) enhances the reactivities; whereas the excitations of the CH3 umbrella mode have the opposite effects. This is consistent with the reaction of H2 + CH3. The comparison of these three isotopic reactions also shows the isotopic effects in the initial-state-selected reaction probabilities. The cumulative reaction probabilities (CRP) are obtained by summing over initial-state-selected reaction probabilities. The energy-shift approximation to account for the contribution of degrees of freedom missing in the six dimensionality calculation is employed to obtain approximate full-dimensional CRPs. The rate constant comparison shows H2 + CH3 reaction has the biggest reactivity, then HD + CH3, and D2 + CH3 has the smallest.

  5. Smooth controllability of infinite-dimensional quantum-mechanical systems

    International Nuclear Information System (INIS)

    Wu, Re-Bing; Tarn, Tzyh-Jong; Li, Chun-Wen

    2006-01-01

    Manipulation of infinite-dimensional quantum systems is important to controlling complex quantum dynamics with many practical physical and chemical backgrounds. In this paper, a general investigation is casted to the controllability problem of quantum systems evolving on infinite-dimensional manifolds. Recognizing that such problems are related with infinite-dimensional controllability algebras, we introduce an algebraic mathematical framework to describe quantum control systems possessing such controllability algebras. Then we present the concept of smooth controllability on infinite-dimensional manifolds, and draw the main result on approximate strong smooth controllability. This is a nontrivial extension of the existing controllability results based on the analysis over finite-dimensional vector spaces to analysis over infinite-dimensional manifolds. It also opens up many interesting problems for future studies

  6. Space- and time-dependent quantum dynamics of spatially indirect excitons in semiconductor heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Grasselli, Federico, E-mail: federico.grasselli@unimore.it; Goldoni, Guido, E-mail: guido.goldoni@unimore.it [Department of Physics, Informatics and Mathematics, University of Modena and Reggio Emilia, Modena (Italy); CNR-NANO S3, Institute for Nanoscience, Via Campi 213/a, 41125 Modena (Italy); Bertoni, Andrea, E-mail: andrea.bertoni@nano.cnr.it [CNR-NANO S3, Institute for Nanoscience, Via Campi 213/a, 41125 Modena (Italy)

    2015-01-21

    We study the unitary propagation of a two-particle one-dimensional Schrödinger equation by means of the Split-Step Fourier method, to study the coherent evolution of a spatially indirect exciton (IX) in semiconductor heterostructures. The mutual Coulomb interaction of the electron-hole pair and the electrostatic potentials generated by external gates and acting on the two particles separately are taken into account exactly in the two-particle dynamics. As relevant examples, step/downhill and barrier/well potential profiles are considered. The space- and time-dependent evolutions during the scattering event as well as the asymptotic time behavior are analyzed. For typical parameters of GaAs-based devices, the transmission or reflection of the pair turns out to be a complex two-particle process, due to comparable and competing Coulomb, electrostatic, and kinetic energy scales. Depending on the intensity and anisotropy of the scattering potentials, the quantum evolution may result in excitation of the IX internal degrees of freedom, dissociation of the pair, or transmission in small periodic IX wavepackets due to dwelling of one particle in the barrier region. We discuss the occurrence of each process in the full parameter space of the scattering potentials and the relevance of our results for current excitronic technologies.

  7. Relativistic classical and quantum dynamics in intense crossed laser beams of various polarizations

    Directory of Open Access Journals (Sweden)

    M. Verschl

    2007-02-01

    Full Text Available The dynamics of an electron in crossed laser fields is investigated analytically. Two different standing wave configurations are compared. The counterpropagating laser waves are either linearly or circularly polarized. Both configurations have in common that there are one-dimensional trajectories on which the electron can oscillate with vanishing Lorentz force. The dynamics is analyzed for the situations when the electron moves in the vicinity of these ideal axes. If the laser intensities imply nonrelativistic electron dynamics, the system is described quantum mechanically. A semiclassical treatment renders the strongly relativistic regime accessible as well. To describe relativistic wave packets, the results of the classical analysis are employed for a Monte Carlo ensemble. This allows for a comparison of the wave packet dynamics for both configurations in the strongly relativistic regime. It is found for certain cases that relativity slows down the dynamics, i.e., for higher laser intensities, wave packet spreading and the drift away from the ideal axis of vanishing Lorentz force are shown to be increasingly suppressed.

  8. Fast hydrogen elimination from the [Ru(PH3)3(CO)(H)2] and [Ru(PH3)4(H)2] complexes in the first singlet excited states: A diabatic quantum dynamics study

    International Nuclear Information System (INIS)

    Vendrell, Oriol; Moreno, Miquel; Lluch, Jose M.

    2004-01-01

    The photodissociation dynamics of [Ru(PH 3 ) 3 (CO)(H) 2 ] and cis-[Ru(PH 3 ) 4 (H) 2 ] is theoretically analyzed in the lowest two excited singlet states. Energies obtained through electronic density functional theory calculations that use the time-dependent formalism are fitted to analytical reduced two-dimensional potential energy surfaces (2D-PES). The metal-H 2 (R) and H-H (r) distances are the variables of these 2D-PES, the rest of the parameters being kept frozen at the values of the minimum energy structure in the ground electronic state. The time evolution in these 2D-PES is exactly followed by means of a fast Fourier transform algorithm applied to solve the time-dependent Schroedinger equation. A simple diabatization scheme is devised to take into account the probability of transitions between both excited states. The quantum dynamics results point out that photoelimination is almost inexistent if the H 2 fragment is to be expelled without further rearrangement of the rest of the complex. Conversely, when the geometries of the complex are optimized by keeping r and R frozen at the hydrogen elimination barrier coordinates, the new 2D-PES so obtained are highly dissociative, the H 2 fragment being expelled in less than 100 fs. Finally the picture of the whole reaction that emerges from our theoretical results is described and the main differences between both complexes are examined

  9. Quantum dynamical effects as a singular perturbation for observables in open quasi-classical nonlinear mesoscopic systems

    International Nuclear Information System (INIS)

    Berman, G.P.; Borgonovi, F.; Dalvit, D.A.R.

    2009-01-01

    We review our results on a mathematical dynamical theory for observables for open many-body quantum nonlinear bosonic systems for a very general class of Hamiltonians. We show that non-quadratic (nonlinear) terms in a Hamiltonian provide a singular 'quantum' perturbation for observables in some 'mesoscopic' region of parameters. In particular, quantum effects result in secular terms in the dynamical evolution, that grow in time. We argue that even for open quantum nonlinear systems in the deep quasi-classical region, these quantum effects can survive after decoherence and relaxation processes take place. We demonstrate that these quantum effects in open quantum systems can be observed, for example, in the frequency Fourier spectrum of the dynamical observables, or in the corresponding spectral density of noise. Estimates are presented for Bose-Einstein condensates, low temperature mechanical resonators, and nonlinear optical systems prepared in large amplitude coherent states. In particular, we show that for Bose-Einstein condensate systems the characteristic time of deviation of quantum dynamics for observables from the corresponding classical dynamics coincides with the characteristic time-scale of the well-known quantum nonlinear effect of phase diffusion.

  10. First-Principles Quantum Dynamics of Singlet Fission: Coherent versus Thermally Activated Mechanisms Governed by Molecular π Stacking

    Science.gov (United States)

    Tamura, Hiroyuki; Huix-Rotllant, Miquel; Burghardt, Irene; Olivier, Yoann; Beljonne, David

    2015-09-01

    Singlet excitons in π -stacked molecular crystals can split into two triplet excitons in a process called singlet fission that opens a route to carrier multiplication in photovoltaics. To resolve controversies about the mechanism of singlet fission, we have developed a first principles nonadiabatic quantum dynamical model that reveals the critical role of molecular stacking symmetry and provides a unified picture of coherent versus thermally activated singlet fission mechanisms in different acenes. The slip-stacked equilibrium packing structure of pentacene derivatives is found to enhance ultrafast singlet fission mediated by a coherent superexchange mechanism via higher-lying charge transfer states. By contrast, the electronic couplings for singlet fission strictly vanish at the C2 h symmetric equilibrium π stacking of rubrene. In this case, singlet fission is driven by excitations of symmetry-breaking intermolecular vibrations, rationalizing the experimentally observed temperature dependence. Design rules for optimal singlet fission materials therefore need to account for the interplay of molecular π -stacking symmetry and phonon-induced coherent or thermally activated mechanisms.

  11. Excited state non-adiabatic dynamics of N-methylpyrrole: A time-resolved photoelectron spectroscopy and quantum dynamics study

    International Nuclear Information System (INIS)

    Wu, Guorong; Neville, Simon P.; Schalk, Oliver; Sekikawa, Taro; Ashfold, Michael N. R.; Worth, Graham A.; Stolow, Albert

    2016-01-01

    The dynamics of N-methylpyrrole following excitation at wavelengths in the range 241.5-217.0 nm were studied using a combination of time-resolved photoelectron spectroscopy (TRPES), ab initio quantum dynamics calculations using the multi-layer multi-configurational time-dependent Hartree method, as well as high-level photoionization cross section calculations. Excitation at 241.5 and 236.2 nm results in population of the A 2 (πσ ∗ ) state, in agreement with previous studies. Excitation at 217.0 nm prepares the previously neglected B 1 (π3p y ) Rydberg state, followed by prompt internal conversion to the A 2 (πσ ∗ ) state. In contrast with the photoinduced dynamics of pyrrole, the lifetime of the wavepacket in the A 2 (πσ ∗ ) state was found to vary with excitation wavelength, decreasing by one order of magnitude upon tuning from 241.5 nm to 236.2 nm and by more than three orders of magnitude when excited at 217.0 nm. The order of magnitude difference in lifetimes measured at the longer excitation wavelengths is attributed to vibrational excitation in the A 2 (πσ ∗ ) state, facilitating wavepacket motion around the potential barrier in the N–CH 3 dissociation coordinate

  12. Excited state non-adiabatic dynamics of N-methylpyrrole: A time-resolved photoelectron spectroscopy and quantum dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Guorong [National Research Council Canada, 100 Sussex Drive, Ottawa, Ontario K1A 0R6 (Canada); State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning 116023 (China); Synergetic Innovation Center of Quantum Information & Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Neville, Simon P. [Department of Chemistry, University of Ottawa, 10 Marie Curie, Ottawa, Ontario K1N 6N5 (Canada); Schalk, Oliver [National Research Council Canada, 100 Sussex Drive, Ottawa, Ontario K1A 0R6 (Canada); Department of Physics, AlbaNova University Center, Stockholm University, Roslagstullsbacken 21, 106 91 Stockholm (Sweden); Sekikawa, Taro [Department of Applied Physics, Hokkaido University, Kita-13 Nishi-8, Kita-ku, Sapporo 060-8628 (Japan); Ashfold, Michael N. R. [School of Chemistry, University of Bristol, Bristol BS8 1TS (United Kingdom); Worth, Graham A. [School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom); Stolow, Albert, E-mail: astolow@uottawa.ca [National Research Council Canada, 100 Sussex Drive, Ottawa, Ontario K1A 0R6 (Canada); Department of Chemistry, University of Ottawa, 10 Marie Curie, Ottawa, Ontario K1N 6N5 (Canada); Department of Physics, University of Ottawa, 150 Louis Pasteur, Ottawa, Ontario K1N 6N5 (Canada)

    2016-01-07

    The dynamics of N-methylpyrrole following excitation at wavelengths in the range 241.5-217.0 nm were studied using a combination of time-resolved photoelectron spectroscopy (TRPES), ab initio quantum dynamics calculations using the multi-layer multi-configurational time-dependent Hartree method, as well as high-level photoionization cross section calculations. Excitation at 241.5 and 236.2 nm results in population of the A{sub 2}(πσ{sup ∗}) state, in agreement with previous studies. Excitation at 217.0 nm prepares the previously neglected B{sub 1}(π3p{sub y}) Rydberg state, followed by prompt internal conversion to the A{sub 2}(πσ{sup ∗}) state. In contrast with the photoinduced dynamics of pyrrole, the lifetime of the wavepacket in the A{sub 2}(πσ{sup ∗}) state was found to vary with excitation wavelength, decreasing by one order of magnitude upon tuning from 241.5 nm to 236.2 nm and by more than three orders of magnitude when excited at 217.0 nm. The order of magnitude difference in lifetimes measured at the longer excitation wavelengths is attributed to vibrational excitation in the A{sub 2}(πσ{sup ∗}) state, facilitating wavepacket motion around the potential barrier in the N–CH{sub 3} dissociation coordinate.

  13. Quantum Dynamics with Short-Time Trajectories and Minimal Adaptive Basis Sets.

    Science.gov (United States)

    Saller, Maximilian A C; Habershon, Scott

    2017-07-11

    Methods for solving the time-dependent Schrödinger equation via basis set expansion of the wave function can generally be categorized as having either static (time-independent) or dynamic (time-dependent) basis functions. We have recently introduced an alternative simulation approach which represents a middle road between these two extremes, employing dynamic (classical-like) trajectories to create a static basis set of Gaussian wavepackets in regions of phase-space relevant to future propagation of the wave function [J. Chem. Theory Comput., 11, 8 (2015)]. Here, we propose and test a modification of our methodology which aims to reduce the size of basis sets generated in our original scheme. In particular, we employ short-time classical trajectories to continuously generate new basis functions for short-time quantum propagation of the wave function; to avoid the continued growth of the basis set describing the time-dependent wave function, we employ Matching Pursuit to periodically minimize the number of basis functions required to accurately describe the wave function. Overall, this approach generates a basis set which is adapted to evolution of the wave function while also being as small as possible. In applications to challenging benchmark problems, namely a 4-dimensional model of photoexcited pyrazine and three different double-well tunnelling problems, we find that our new scheme enables accurate wave function propagation with basis sets which are around an order-of-magnitude smaller than our original trajectory-guided basis set methodology, highlighting the benefits of adaptive strategies for wave function propagation.

  14. Effects of cereal bar containing polydextrose on subjective feelings of appetite and energy intake in overweight adults over 15 d.

    Science.gov (United States)

    Martinelli, Marcela; Hick, Emilia; Walz, Florencia; Drago, Silvina R

    2018-01-18

    The effects of 15 d polydextrose (16.7 g) consumption on energy intake (EI) and appetite feelings were investigated. Overweight adults consumed a polydextrose-bar or a control-bar matched in energy content as a midmorning snack for 15 consecutive days in a single-blind, randomised, crossover design. The two 15-d intervention periods were separated by a 15-d washout period. On the day 1 and the day 15 of each intervention period, energy intake (primary outcome) and appetite feelings (secondary outcome) were assessed. There were not significant main effects of the day, type of bar, or their interaction for EI (at lunchtime test meal, at rest of the day, or at total daily) or subjective feelings (hunger, desire to eat, fullness, and prospective food consumption) during the satiation and satiety periods. The results showed the consumption of polydextrose-bar during 15 d did not significantly affect energy intake and subjective feelings of appetite in overweight adults.

  15. LBNP/ergometer effects on female cardiovascular and muscle deconditioning in 15d head-down bed rest

    Science.gov (United States)

    Wang, Lin-Jie

    2012-07-01

    Female has already been an important part of astronaut corps but gender characteristics in weightlessness and countermeasure effects still not clearly elucidated. In this study the LBNP/Ergometer effects on female cardiovascular deconditioning and muscle atrophy in 15d head-down bed rest were explored. 22 female university students were recruited as volunteers that participated in the 15d head-down bed rest. They were divided into control group (Con,n=8), LBNP exercise group (LBNP,n=7) and LBNP combined with ergometer exercise group (LBNP+Ergo, n=7). Grade negative pressures of -10,-20,-30,-40mmHg 20 or 55min were used in LBNP exercise. In ergometer exercises the subjects must maintain 60-80% VO2peak of pre-bed rest at pedal speed of about 70cycle/min for 15min and the entire exercise duration was 30min. LBNP were performed at 6th,8th,10th,12th,and 13th day and Ergometer were operated at 4th,5th,7th,9th,11th day during bed rest. Before and after bed rest, cardiovascular tilt test were performed to evaluate orthostatic intolerance, supine cycle ergometer were used to test the cardiopulmonary function, MRI tests were operated to examine the volume variations of leg muscle groups and isokinetic test were given to test the muscle strength and endurance of knee. 40% of female subjects did not pass the tilt table test after bed rest and exercises made no difference. Compared with pre-BR, VO2max and VO2max /body weight, VO2/HRmax, maximal power and duration significantly decreased in CON group and LBNP group. For the ERGO+LBNP group, there were no visible different in the parameters of cardiopulmonary function except that maximal power and duration decreased. Muscle maximal voluntary contraction and muscle (quadriceps, rectus femoris, gastrocnemius and soleus) volume decreasing in non-predominant leg was larger in Con group than in LBNP+Ergo group. It is suggested that LBNP combined with ergometer in some degrees can counteract the cardiovascular and muscle deconditioning

  16. Communication: On the consistency of approximate quantum dynamics simulation methods for vibrational spectra in the condensed phase.

    Science.gov (United States)

    Rossi, Mariana; Liu, Hanchao; Paesani, Francesco; Bowman, Joel; Ceriotti, Michele

    2014-11-14

    Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these limitations can be traced down to two approaches: methods that treat a small subset of the degrees of freedom with rigorous quantum mechanics, considering the rest of the system as a static or classical environment, and methods that treat the whole system quantum mechanically, but using approximate dynamics. Here, we perform a systematic comparison between these two philosophies for the description of quantum effects in vibrational spectroscopy, taking the Embedded Local Monomer model and a mixed quantum-classical model as representatives of the first family of methods, and centroid molecular dynamics and thermostatted ring polymer molecular dynamics as examples of the latter. We use as benchmarks D2O doped with HOD and pure H2O at three distinct thermodynamic state points (ice Ih at 150 K, and the liquid at 300 K and 600 K), modeled with the simple q-TIP4P/F potential energy and dipole moment surfaces. With few exceptions the different techniques yield IR absorption frequencies that are consistent with one another within a few tens of cm(-1). Comparison with classical molecular dynamics demonstrates the importance of nuclear quantum effects up to the highest temperature, and a detailed discussion of the discrepancies between the various methods let us draw some (circumstantial) conclusions about the impact of the very different approximations that underlie them. Such cross validation between radically different approaches could indicate a way forward to further improve the state of the art in simulations of condensed-phase quantum dynamics.

  17. Quantum dynamics of the Eley-Rideal hydrogen formation reaction on graphite at typical interstellar cloud conditions.

    Science.gov (United States)

    Casolo, Simone; Martinazzo, Rocco; Bonfanti, Matteo; Tantardini, Gian Franco

    2009-12-31

    Eley-Rideal formation of hydrogen molecules on graphite, as well as competing collision induced processes, are investigated quantum dynamically at typical interstellar cloud conditions, focusing in particular on gas-phase temperatures below 100 K, where much of the chemistry of the so-called diffuse clouds takes place on the surface of bare carbonaceous dust grains. Collisions of gas-phase hydrogen atoms with both chemisorbed and physisorbed species are considered using available potential energy surfaces (Sha et al., J. Chem. Phys.2002 116, 7158), and state-to-state, energy-resolved cross sections are computed for a number of initial vibrational states of the hydrogen atoms bound to the surface. Results show that (i) product molecules are internally hot in both cases, with vibrational distributions sharply peaked around few (one or two) vibrational levels, and (ii) cross sections for chemisorbed species are 2-3x smaller than those for physisorbed ones. In particular, we find that H(2) formation cross sections out of chemically bound species decrease steadily when the temperature drops below approximately 1000 K, and this is likely due to a quantum reflection phenomenon. This suggests that such Eley-Rideal reaction is all but efficient in the relevant gas-phase temperature range, even when gas-phase H atoms happen to chemisorb barrierless to the surface as observed, e.g., for forming so-called para dimers. Comparison with results from classical trajectory calculations highlights the need of a quantum description of the dynamics in the astrophysically relevant energy range, whereas preliminary results of an extensive first-principles investigation of the reaction energetics reveal the importance of the adopted substrate model.

  18. Quantum dynamics of a BEC interacting with a single-mode quantized field in the presence of interatom collisions

    Energy Technology Data Exchange (ETDEWEB)

    Ghasemian, E. [Atomic and Molecular Group, Faculty of Physics, Yazd University, Yazd (Iran, Islamic Republic of); Tavassoly, M.K., E-mail: mktavassoly@yazd.ac.ir [Atomic and Molecular Group, Faculty of Physics, Yazd University, Yazd (Iran, Islamic Republic of); Photonics Research Group, Engineering Research Center, Yazd University, Yazd (Iran, Islamic Republic of); The Laboratory of Quantum Information Processing, Yazd University, Yazd (Iran, Islamic Republic of)

    2016-09-23

    In this paper, we consider a model in which N two-level atoms in a Bose–Einstein condensate (BEC) interact with a single-mode quantized laser field. Our goal is to investigate the quantum dynamics of atoms in the BEC in the presence of interatom interactions. To achieve the purpose, at first, using the collective angular momentum operators, we try to reduce the dynamical Hamiltonian of the system to a well-known Jaynes–Cummings like model (JCM). We also use the Dicke model to construct the state of atomic subsystem, by which the analytical solution of the system may be obtained. Then, we analyze the atomic population inversion, the degree of entanglement between the “atoms in BEC” and the “field” as well as the Mandel parameter. Numerical results show that, the atomic population inversion, atom-field entanglement and quantum statistics of photons are very sensitive to the evolved parameters in the model (and so can be well-adjusted), such as the number of atoms in BEC, the intensity of initial field, the interatom coupling constant and detuning. To investigate the entanglement properties, we pay attention to the entropy and linear entropy. It is shown that, oscillations in the two entropy criteria may be seen, with some maxima of entanglement at some moments of time. Finally, looking for the quantum statistics, we evaluate the Mandel parameter, by which we demonstrate the sub-Poissonian statistics and so the nonclassical characteristics of the field state of system. Collapse-revival phenomenon, which is a distinguishable nonclassical characteristic of the system, can be apparently observed in the atomic population inversion and the Mandel parameter. - Highlights: • N two-level atoms in a BEC interacting with a laser field in the presence of interatom interactions is considered. • The atomic population inversion, degree of entanglement between the “atoms in BEC” and the “field” and the Mandel parameter are investigated. • Collapse

  19. State-to-state quantum dynamics of the F + HCl (vi = 0, ji = 0) → HF(vf, jf) + Cl reaction on the ground state potential energy surface.

    Science.gov (United States)

    Li, Anyang; Guo, Hua; Sun, Zhigang; Kłos, Jacek; Alexander, Millard H

    2013-10-07

    The state-to-state reaction dynamics of the title reaction is investigated on the ground electronic state potential energy surface using two quantum dynamical methods. The results obtained using the Chebyshev real wave packet method are in excellent agreement with those obtained using the time-independent method, except at low translational energies. It is shown that this exothermic hydrogen abstraction reaction is direct, resulting in a strong back-scattered bias in the product angular distribution. The HF product is highly excited internally. Agreement with available experimental data is only qualitative. We discuss several possible causes of disagreement with experiment.

  20. Quantum dynamical simulation of photoinduced electron transfer processes in dye-semiconductor systems: theory and application to coumarin 343 at TiO₂.

    Science.gov (United States)

    Li, Jingrui; Kondov, Ivan; Wang, Haobin; Thoss, Michael

    2015-04-10

    A recently developed methodology to simulate photoinduced electron transfer processes at dye-semiconductor interfaces is outlined. The methodology employs a first-principles-based model Hamiltonian and accurate quantum dynamics simulations using the multilayer multiconfiguration time-dependent Hartree approach. This method is applied to study electron injection in the dye-semiconductor system coumarin 343-TiO2. Specifically, the influence of electronic-vibrational coupling is analyzed. Extending previous work, we consider the influence of Dushinsky rotation of the normal modes as well as anharmonicities of the potential energy surfaces on the electron transfer dynamics.

  1. Geometry-based approach to studying the semi-classical limit in quantum dynamics by the coherent states and quantum mechanics on the torus

    International Nuclear Information System (INIS)

    Faure, F.

    1993-01-01

    This thesis deals with problems linked to the study of the semi-classical limit in quantum dynamics. The first part presents a geometrical formulation which is tantamount to the time dependent variational principle. The classical dynamics is considered as an orthogonal projection of the quantum dynamics on the family of coherent states. The angle of projection provides an information on the validity of the approximation. This angle is studied in an illustrating example. In the second part, we study quantum mechanics on the torus as a phase space, and particularly degeneracies in the spectrum of Harper like models or kicked Harper like models which manifest chaotic dynamics. These models find direct applications in solid state physics, especially with the quantum Hall effect. In this study, we use the Chern index, which is a topological characterization of the localization of the eigenfunctions as some periodicity conditions are changed. The use of the Husimi distribution provides a phase space representation of the quantum states. We discuss the role played by separatrix-states, by the effects of quantum tunneling, and by a classically chaotic dynamics. (orig.)

  2. Quantum dynamics of solid Ne upon photo-excitation of a NO impurity: A Gaussian wave packet approach

    International Nuclear Information System (INIS)

    Unn-Toc, W.; Meier, C.; Halberstadt, N.; Uranga-Piña, Ll.; Rubayo-Soneira, J.

    2012-01-01

    A high-dimensional quantum wave packet approach based on Gaussian wave packets in Cartesian coordinates is presented. In this method, the high-dimensional wave packet is expressed as a product of time-dependent complex Gaussian functions, which describe the motion of individual atoms. It is applied to the ultrafast geometrical rearrangement dynamics of NO doped cryogenic Ne matrices after femtosecond laser pulse excitation. The static deformation of the solid due to the impurity as well as the dynamical response after femtosecond excitation are analyzed and compared to reduced dimensionality studies. The advantages and limitations of this method are analyzed in the perspective of future applications to other quantum solids.

  3. Quantum dynamics of solid Ne upon photo-excitation of a NO impurity: A Gaussian wave packet approach

    Energy Technology Data Exchange (ETDEWEB)

    Unn-Toc, W.; Meier, C.; Halberstadt, N. [Laboratoire Collisions Agregats et Reactivite, IRSAMC, UMR CNRS 5589, Universite Paul Sabatier, 31062 Toulouse (France); Uranga-Pina, Ll. [Laboratoire Collisions Agregats et Reactivite, IRSAMC, UMR CNRS 5589, Universite Paul Sabatier, 31062 Toulouse (France); Facultad de Fisica, Universidad de la Habana, San Lazaro y L, Vedado, 10400 La Habana (Cuba); Rubayo-Soneira, J. [Instituto Superior de Tecnologias y Ciencias Aplicadas (InSTEC), Ave. Salvador Allende y Luaces, Habana 10600, AP 6163 La Habana (Cuba)

    2012-08-07

    A high-dimensional quantum wave packet approach based on Gaussian wave packets in Cartesian coordinates is presented. In this method, the high-dimensional wave packet is expressed as a product of time-dependent complex Gaussian functions, which describe the motion of individual atoms. It is applied to the ultrafast geometrical rearrangement dynamics of NO doped cryogenic Ne matrices after femtosecond laser pulse excitation. The static deformation of the solid due to the impurity as well as the dynamical response after femtosecond excitation are analyzed and compared to reduced dimensionality studies. The advantages and limitations of this method are analyzed in the perspective of future applications to other quantum solids.

  4. 1.5D quasilinear model and its application on beams interacting with Alfvén eigenmodes in DIII-D

    Science.gov (United States)

    Ghantous, K.; Gorelenkov, N. N.; Berk, H. L.; Heidbrink, W. W.; Van Zeeland, M. A.

    2012-09-01

    We propose a model, denoted here by 1.5D, to study energetic particle (EP) interaction with toroidal Alfvenic eigenmodes (TAE) in the case where the local EP drive for TAE exceeds the stability limit. Based on quasilinear theory, the proposed 1.5D model assumes that the particles diffuse in phase space, flattening the pressure profile until its gradient reaches a critical value where the modes stabilize. Using local theories and NOVA-K simulations of TAE damping and growth rates, the 1.5D model calculates the critical gradient and reconstructs the relaxed EP pressure profile. Local theory is improved from previous study by including more sophisticated damping and drive mechanisms such as the numerical computation of the effect of the EP finite orbit width on the growth rate. The 1.5D model is applied on the well-diagnosed DIII-D discharges #142111 [M. A. Van Zeeland et al., Phys. Plasmas 18, 135001 (2011)] and #127112 [W. W. Heidbrink et al., Nucl. Fusion. 48, 084001 (2008)]. We achieved a very satisfactory agreement with the experimental results on the EP pressure profiles redistribution and measured losses. This agreement of the 1.5D model with experimental results allows the use of this code as a guide for ITER plasma operation where it is desired to have no more than 5% loss of fusion alpha particles as limited by the design.

  5. Induction of apoptosis in non-small cell lung carcinoma A549 cells by PGD₂ metabolite, 15d-PGJ₂.

    Science.gov (United States)

    Wang, Jun-Jie; Mak, Oi-Tong

    2011-11-01

    PGD2 (prostaglandin D2) is a mediator in various pathophysiological processes, including inflammation and tumorigenesis. PGD2 can be converted into active metabolites and is known to activate two distinct receptors, DP (PGD2 receptor) and CRTH2/DP2 (chemoattractant receptor-homologous molecule expressed on Th2 cells). In the past, PGD2 was thought to be involved principally in the process of inflammation. However, in recent years, several studies have shown that PGD2 has anti-proliferative ability against tumorigenesis and can induce cellular apoptosis via activation of the caspase-dependent pathway in human colorectal cancer cells, leukaemia cells and eosinophils. In the lung, where PGD2 is highly released when sensitized mast cells are challenged with allergen, the mechanism of PGD2-induced apoptosis is unclear. In the present study, A549 cells, a type of NSCLC (non-small cell lung carcinoma), were treated with PGD2 under various conditions, including while blocking DP and CRTH2/DP2 with the selective antagonists BWA868C and ramatroban respectively. We report here that PGD2 induces A549 cell death through the intrinsic apoptotic pathway, although the process does not appear to involve either DP or CRTH2/DP2. Similar results were also found with H2199 cells, another type of NSCLC. We found that PGD2 metabolites induce apoptosis effectively and that 15d-PGJ2 (15-deoxy-Δ12,14-prostaglandin J2) is a likely candidate for the principal apoptotic inducer in PGD2-induced apoptosis in NSCLC A549 cells.

  6. Excitation of helium Rydberg states and doubly excited resonances in strong extreme ultraviolet fields: Full-dimensional quantum dynamics using exponentially tempered Gaussian basis sets

    Czech Academy of Sciences Publication Activity Database

    Kaprálová-Žďánská, Petra Ruth; Šmydke, Jan; Civiš, S.

    2013-01-01

    Roč. 139, č. 10 (2013), s. 104314 ISSN 0021-9606 R&D Projects: GA AV ČR IAAX00100903; GA MŠk(CZ) ME10046; GA ČR GAP205/11/0571 Institutional support: RVO:68378271 Keywords : Gaussian distribution * helium * oscillator strengths * quantum chemistry * rotational states * Rydberg states * two-photon processes Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 3.122, year: 2013

  7. Excitation of helium Rydberg states and doubly excited resonances in strong extreme ultraviolet fields: Full-dimensional quantum dynamics using exponentially tempered Gaussian basis sets

    Czech Academy of Sciences Publication Activity Database

    Kaprálová-Žďánská, Petra Ruth; Šmydke, Jan; Civiš, Svatopluk

    2013-01-01

    Roč. 139, č. 10 (2013), s. 104314 ISSN 0021-9606 R&D Projects: GA ČR GAP205/11/0571; GA AV ČR IAAX00100903 Institutional support: RVO:61388955 Keywords : HARMONIC-GENERATION SPECTRA * DEPENDENT SCHRODINGER-EQUATION * MOLECULAR MULTIPHOTON PROCESSES Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.122, year: 2013

  8. Quantum dynamics calculations using symmetrized, orthogonal Weyl-Heisenberg wavelets with a phase space truncation scheme. III. Representations and calculations.

    Science.gov (United States)

    Poirier, Bill; Salam, A

    2004-07-22

    In a previous paper [J. Theo. Comput. Chem. 2, 65 (2003)], one of the authors (B.P.) presented a method for solving the multidimensional Schrodinger equation, using modified Wilson-Daubechies wavelets, and a simple phase space truncation scheme. Unprecedented numerical efficiency was achieved, enabling a ten-dimensional calculation of nearly 600 eigenvalues to be performed using direct matrix diagonalization techniques. In a second paper [J. Chem. Phys. 121, 1690 (2004)], and in this paper, we extend and elaborate upon the previous work in several important ways. The second paper focuses on construction and optimization of the wavelength functions, from theoretical and numerical viewpoints, and also examines their localization. This paper deals with their use in representations and eigenproblem calculations, which are extended to 15-dimensional systems. Even higher dimensionalities are possible using more sophisticated linear algebra techniques. This approach is ideally suited to rovibrational spectroscopy applications, but can be used in any context where differential equations are involved.

  9. In vivo and in vitro degradation of poly[(50)/(50) ((85)/(L)(15)/(D))LA/epsilon-CL], and the implications for the use in nerve reconstruction

    NARCIS (Netherlands)

    den Dunnen, WFA; Meek, MF; Grijpma, DW; Robinson, PF; Schakenraad, JM

    2000-01-01

    Nerve guides can be used for the reconstruction of peripheral nerve defects. After serving their function, nerve guides should degrade. p[(50)/(50) ((85)/(L)(15)/(D))LA/epsilon-CL] degrades completely within 1 year without the formation of a slow degrading crystalline fraction. Although the tensile

  10. Non-equilibrium quantum dynamics of ultra-cold atomic mixtures: the multi-layer multi-configuration time-dependent Hartree method for bosons

    International Nuclear Information System (INIS)

    Krönke, Sven; Cao, Lushuai; Schmelcher, Peter; Vendrell, Oriol

    2013-01-01

    We develop and apply the multi-layer multi-configuration time-dependent Hartree method for bosons, which represents an ab initio method for investigating the non-equilibrium quantum dynamics of multi-species bosonic systems. Its multi-layer feature allows for tailoring the wave function ansatz to describe intra- and inter-species correlations accurately and efficiently. To demonstrate the beneficial scaling and efficiency of the method, we explored the correlated tunneling dynamics of two species with repulsive intra- and inter-species interactions, to which a third species with vanishing intra-species interaction was weakly coupled. The population imbalances of the first two species can feature a temporal equilibration and their time evolution significantly depends on the coupling to the third species. Bosons of the first and second species exhibit a bunching tendency, whose strength can be influenced by their coupling to the third species. (paper)

  11. A snake venom group IIA PLA2 with immunomodulatory activity induces formation of lipid droplets containing 15-d-PGJ2 in macrophages.

    Science.gov (United States)

    Giannotti, Karina Cristina; Leiguez, Elbio; Carvalho, Ana Eduarda Zulim de; Nascimento, Neide Galvão; Matsubara, Márcio Hideki; Fortes-Dias, Consuelo Latorre; Moreira, Vanessa; Teixeira, Catarina

    2017-06-22

    Crotoxin B (CB) is a catalytically active group IIA sPLA 2 from Crotalus durissus terrificus snake venom. In contrast to most GIIA sPLA 2 s, CB exhibits anti-inflammatory effects, including the ability to inhibit leukocyte functions. Lipid droplets (LDs) are lipid-rich organelles associated with inflammation and recognized as a site for the synthesis of inflammatory lipid mediators. Here, the ability of CB to induce formation of LDs and the mechanisms involved in this effect were investigated in isolated macrophages. The profile of CB-induced 15-d-PGJ 2 (15-Deoxy-Delta-12,14-prostaglandin J 2 ) production and involvement of LDs in 15-d-PGJ 2 biosynthesis were also investigated. Stimulation of murine macrophages with CB induced increased number of LDs and release of 15-d-PGJ 2 . LDs induced by CB were associated to PLIN2 recruitment and expression and required activation of PKC, PI3K, MEK1/2, JNK, iPLA 2 and PLD. Both 15-d-PGJ 2 and COX-1 were found in CB-induced LDs indicating that LDs contribute to the inhibitory effects of CB by acting as platform for synthesis of 15-d-PGJ 2 , a pro-resolving lipid mediator. Together, our data indicate that an immunomodulatory GIIA sPLA 2 can directly induce LD formation and production of a pro-resolving mediator in an inflammatory cell and afford new insights into the roles of LDs in resolution of inflammatory processes.

  12. Quantum-dynamical Modeling of the Rydberg to Valence Excited-State Internal Conversion in Cyclobutanone and Cyclopentanone

    Directory of Open Access Journals (Sweden)

    Møller K. B.

    2013-03-01

    Full Text Available In this paper we present 4-state, 5-dimensional Vibronic Coupling Hamiltonians for cyclobutanone and cyclopentanone. Wave packet calculations using these Hamiltonians reveal that for cyclobutanone the (n,3s to (n,π* internal conversion involves direct motion in nuclear modes coupling the two states leading to fast population transfer. For cyclopentanone, internal vibrational energy redistribution is a bottleneck for activating reactive nuclear modes leading to slower population transfer.

  13. Quantum-dynamical Modeling of the Rydberg to Valence Excited-State Internal Conversion in Cyclobutanone and Cyclopentanone

    DEFF Research Database (Denmark)

    Kuhlman, T. S.; Sauer, Stephan P. A.; Solling, T. I.

    2013-01-01

    In this paper we present 4-state, 5-dimensional Vibronic Coupling Hamiltonians for cyclobutanone and cyclopentanone. Wave packet calculations using these Hamiltonians reveal that for cyclobutanone the (n,3s) to (n,π*) internal conversion involves direct motion in nuclear modes coupling the two st...... states leading to fast population transfer. For cyclopentanone, internal vibrational energy redistribution is a bottleneck for activating reactive nuclear modes leading to slower population transfer....

  14. Single florescent nanodiamond in a three dimensional ABEL trap

    Science.gov (United States)

    Kayci, Metin; Radenovic, Aleksandra

    2015-01-01

    Three dimensional single particle trapping and manipulation is an outstanding challenge in various fields ranging from basic physics to life sciences. By monitoring the response of a trapped particle to a designed environment one can extract its characteristics. In addition, quantum dynamics of a spatially scanned well-known particle can provide environmental information. Precise tracking and positioning of such a particle in aqueous environment is crucial task for achieving nano-scale resolution. Here we experimentally demonstrate three dimensional ABEL trap operating at high frequency by employing a hybrid approach in particle tracking. The particle location in the transverse plane is detected via a scanning laser beam while the axial position is determined by defocused imaging. The scanning of the trapped particle is accomplished through a nano positioning stage integrated to the trap platform. PMID:26559890

  15. 5D quantum dynamics of the H{sub 2}@SWNT system: Quantitative study of the rotational-translational coupling

    Energy Technology Data Exchange (ETDEWEB)

    Mondelo-Martell, M.; Huarte-Larrañaga, F., E-mail: fermin.huarte@ub.edu [Departament de Química Física and Institut de Química Teòrica i Computacional (IQTCUB),Universitat de Barcelona, C/ Martí i Franqués 1, 08028 Barcelona (Spain)

    2015-02-28

    The dynamics of the dihydrogen molecule when confined in carbon nanotubes with different chiralities and diameters are studied by using a 5 dimensional model considering the most relevant degrees of freedom of the system. The nuclear eigenstates are calculated for an (8,0) and a (5,0) carbon nanotubes by the State-Average Multiconfigurational Time-dependent Hartree, and then studied using qualitative tools (mapping of the total wave functions onto given subspaces) and more rigorous analysis (different kinds of overlaps with reference functions). The qualitative analysis is seen to fail due to a strong coupling between the internal and translational degrees of freedom. Using more accurate tools allows us to gain a deeper insight into the behaviour of confined species.

  16. Theoretical studies on nuclear spin selective quantum dynamics of non-linear molecules; Theoretische Untersuchung zur Quantendynamik der Kernspinisomere nicht-linearer Molekuele

    Energy Technology Data Exchange (ETDEWEB)

    Grohmann, Thomas

    2012-05-31

    In this thesis the wave packet dynamics of nuclear spin isomers of polyatomic molecules after interaction with static and time-dependent magnetic fields and moderate intense nonresonant laser pulses is investigated. In particular, the process of inducing (internal) molecular rotation as well as alignment of molecules by manipulating their rotational or rotational-torsional degrees of freedom is studied. In the first part of the thesis all theoretical concepts for identifying nuclear spin isomers and for describing their quantum dynamics will be discussed. Especially the symmetrization postulate and themolecular symmetry group will be introduced and illustrated for some examples of molecules. These concepts will be extended to the case of identifying nuclear spin isomers in the presence of an external field. In the second part it is shown for nitromethane that magnetic fields are able to induce unidirectional rotations in opposite directions for different nuclear spin isomers of molecules containing methyl groups if the dipolar interaction is included. Additionally, it is demonstrated that different nuclear spin isomers of a chemical compound may show different alignment after the interaction with a moderate intense laser pulse. As shown for the rigid symmetric top propadien and the rigid asymmetric tops ethene and analogues, distinct pairs of nuclear spin isomers show at certain points in time a complementary behavior: while one isomer is showing alignment the partner isomer is showing anti-alignment. Moreover, it is illustrated that not every nuclear spin isomer can be aligned equally efficient. The alignment of non-rigid molecules is considered as well. As an example for a molecule with feasible torsion in the electronic ground state, the alignment of diboron tetrafluoride is investigated. It becomes apparent that not only rotational but also the torsional dynamics of the molecules is nuclear spin selective; different nuclear spin isomers have at distinct points

  17. A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system

    International Nuclear Information System (INIS)

    Li, Jun; Chen, Jun; Zhao, Zhiqiang; Zhang, Dong H.; Xie, Daiqian; Guo, Hua

    2015-01-01

    We report a permutationally invariant global potential energy surface (PES) for the H + CH 4 system based on ∼63 000 data points calculated at a high ab initio level (UCCSD(T)-F12a/AVTZ) using the recently proposed permutation invariant polynomial-neural network method. The small fitting error (5.1 meV) indicates a faithful representation of the ab initio points over a large configuration space. The rate coefficients calculated on the PES using tunneling corrected transition-state theory and quasi-classical trajectory are found to agree well with the available experimental and previous quantum dynamical results. The calculated total reaction probabilities (J tot = 0) including the abstraction and exchange channels using the new potential by a reduced dimensional quantum dynamic method are essentially the same as those on the Xu-Chen-Zhang PES [Chin. J. Chem. Phys. 27, 373 (2014)

  18. The effects of static quartic anharmonicity on the quantum dynamics of a linear oscillator with time-dependent harmonic frequency: Perturbative analysis and numerical calculations

    International Nuclear Information System (INIS)

    Sarkar, P.; Bhattacharyya, S.P.

    1995-01-01

    The effects of quartic anharmonicity on the quantum dynamics of a linear oscillator with time-dependent force constant (K) or harmonic frequency (ω) are studied both perturbatively and numerically by the time-dependent Fourier grid Hamiltonian method. In the absence of anharmonicity, the ground-state population decreases and the population of an accessible excited state (k = 2.4, 6 ... ) increases with time. However, when anharmonicity is introduced, both the ground- and excited-state populations show typical oscillations. For weak coupling, the population of an accessible excited state at a certain instant of time (short) turns out to be a parabolic function of the anharmonic coupling constant (λ), when all other parameters of the system are kept fixed. This parabolic nature of the excited-state population vs. the λ profile is independent of the specific form of the time dependence of the force constant, K t . However, it depends upon the rate at which K t relaxes. For small anharmonic coupling strength and short time scales, the numerical results corroborate expectations based on the first-order time-dependent perturbative analysis, using a suitably repartitioned Hamiltonian that makes H 0 time-independent. Some of the possible experimental implications of our observations are analyzed, especially in relation to intensity oscillations observed in some charge-transfer spectra in systems in which the dephasing rates are comparable with the time scale of the electron transfer. 21 refs., 7 figs., 1 tab

  19. C++QEDv2 Milestone 10: A C++/Python application-programming framework for simulating open quantum dynamics

    Science.gov (United States)

    Sandner, Raimar; Vukics, András

    2014-09-01

    ++ libraries, GNU Scientific Library, Blitz++, FLENS, NumPy, SciPy Catalogue identifier of previous version: AELU_v1_0 Journal reference of previous version: Comput. Phys. Comm. 183 (2012) 1381 Does the new version supersede the previous version?: Yes Nature of problem: Definition of (open) composite quantum systems out of elementary building blocks [2,3]. Manipulation of such systems, with emphasis on dynamical simulations such as Master-equation evolution [4] and Monte Carlo wave-function simulation [5]. Solution method: Master equation, Monte Carlo wave-function method Reasons for new version: The new version is mainly a feature release, but it does correct some problems of the previous version, especially as regards the build system. Summary of revisions: We give an example for a typical Python script implementing the ring-cavity system presented in Sec. 3.3 of Ref. [2]: Restrictions: Total dimensionality of the system. Master equation-few thousands. Monte Carlo wave-function trajectory-several millions. Unusual features: Because of the heavy use of compile-time algorithms, compilation of programs written in the framework may take a long time and much memory (up to several GBs). Additional comments: The framework is not a program, but provides and implements an application-programming interface for developing simulations in the indicated problem domain. We use several C++11 features which limits the range of supported compilers (g++ 4.7, clang++ 3.1) Documentation, http://cppqed.sourceforge.net/ Running time: Depending on the magnitude of the problem, can vary from a few seconds to weeks. References: [1] Entry point: http://cppqed.sf.net [2] A. Vukics, C++QEDv2: The multi-array concept and compile-time algorithms in the definition of composite quantum systems, Comp. Phys. Comm. 183(2012)1381. [3] A. Vukics, H. Ritsch, C++QED: an object-oriented framework for wave-function simulations of cavity QED systems, Eur. Phys. J. D 44 (2007) 585. [4] H. J. Carmichael, An Open

  20. Tensor network methods for the simulation of open quantum dynamics in multichromophore systems: Application to singlet fission in novel pentacene dimers

    Science.gov (United States)

    Chin, Alex

    Singlet fission (SF) is an ultrafast process in which a singlet exciton spontaneously converts into a pair of entangled triplet excitons on neighbouring organic molecules. As a mechanism of multiple exciton generation, it has been suggested as a way to increase the efficiency of organic photovoltaic devices, and its underlying photophysics across a wide range of molecules and materials has attracted significant theoretical attention. Recently, a number of studies using ultrafast nonlinear optics have underscored the importance of intramolecular vibrational dynamics in efficient SF systems, prompting a need for methods capable of simulating open quantum dynamics in the presence of highly structured and strongly coupled environments. Here, a combination of ab initio electronic structure techniques and a new tensor-network methodology for simulating open vibronic dynamics is presented and applied to a recently synthesised dimer of pentacene (DP-Mes). We show that ultrafast (300 fs) SF in this system is driven entirely by symmetry breaking vibrations, and our many-body approach enables the real-time identification and tracking of the ''functional' vibrational dynamics and the role of the ''bath''-like parts of the environment. Deeper analysis of the emerging wave functions points to interesting links between the time at which parts of the environment become relevant to the SF process and the optimal topology of the tensor networks, highlighting the additional insight provided by moving the problem into the natural language of correlated quantum states and how this could lead to simulations of much larger multichromophore systems Supported by The Winton Programme for the Physics of Sustainability.

  1. Ultrafast photo-initiated molecular quantum dynamics in the DNA dinucleotide d(ApG) revealed by broadband transient absorption spectroscopy.

    Science.gov (United States)

    Stuhldreier, Mayra C; Temps, Friedrich

    2013-01-01

    The ultrafast photo-initiated quantum dynamics of the adenine-guanine dinucleotide d(ApG) in aqueous solution (pH 7) has been studied by femtosecond time-resolved spectroscopy after excitation at lambda = 260 nm. The results reveal a hierarchy of processes on time scales from tau 100 ps. Characteristic spectro-temporal signatures are observed indicating the transformation of the molecules in the electronic relaxation from the photo-excited state to a long-lived exciplex. In particular, broadband UV/VIS excited-state absorption (ESA) measurements detected a distinctive absorption by the excited dinucleotide around lambda = 335 nm, approximately 0.5 eV to the blue compared to the maximum of the broad and unstructured ESA spectrum after excitation of an equimolar mixture of the mononucleotides dAMP and dGMP. A similar feature has been identified as signature of the excimer in the dynamics of the adenine dinucleotide d(ApA). The lifetime of the d(ApG) exciplex was found to be tau = 124 +/- 4 ps both from the ESA decay time and from the ground-state recovery time, far longer than the sub-picosecond lifetimes of excited dAMP or dGMP. Fluorescence-time profiles measured by the up-conversion technique indicate that the exciplex state is reached around approximately 6 ps after excitation. Very weak residual fluorescence at longer times red-shifted to the emission from the photo-excited state shows that the exciplex is almost optically dark, but still has enough oscillator strength to give rise to the dual fluorescence of the dinucleotide in the static fluorescence spectrum.

  2. Study of new interactions of glitazone's stereoisomers and the endogenous ligand 15d-PGJ2 on six different PPAR gamma proteins.

    Science.gov (United States)

    Álvarez-Almazán, Samuel; Bello, Martiniano; Tamay-Cach, Feliciano; Martínez-Archundia, Marlet; Alemán-González-Duhart, Diana; Correa-Basurto, José; Mendieta-Wejebe, Jessica Elena

    2017-10-15

    Diabetes mellitus is a chronic disease characterized by hyperglycemia, insulin resistance and hyperlipidemia. Glitazones or thiazolidinediones (TZD) are drugs that act as insulin-sensitizing agents whose molecular target is the peroxisome proliferator-activated receptor gamma (PPARγ). The euglycemic action of TZD has been linked with the induction of type 4 glucose transporter. However, it has been shown that the effect of TZD depends on the specific stereoisomer that interacts with PPARγ. Therefore, this work is focused on exploring the interactions and geometry adopted by glitazone's stereoisomers and one endogenous ligand on different conformations of the six crystals of the PPARγ protein using molecular docking and molecular dynamics (MD) simulations accompanied by the MMGBSA approach. Specifically, the 2,4-thiazolidinedione ring, pioglitazone (PIO), rosiglitazone (ROSI) and troglitazone (TRO) stereoisomers (exogenous ligands), as well as the endogenous ligand 15d-PGJ2, were evaluated. The six crystallographic structures of PPARγ are available at Protein Data Bank as the PDB entries 2PRG, 4PRG, 3T03, 1I7I, 1FM6, and 4EMA. According to the results, a boomerang shape and a particular location of ligands were found with low variations according to the protein conformations. The 15d-PGJ2, TZD, PIO, ROSI and (S,S)-TRO enantiomers were mostly stabilized by twenty hydrophobic residues: Phe226, Pro227, Leu228, Ile281, Phe282, Cys285, Ala292, Ile296, Ile326, Tyr327, Met329, Leu330, Leu333, Met334, Val339, Ile341, Met348, Leu353, Phe363 and Met364. Most hydrogen bond interactions were found between the polar groups of ligands with Arg288, Ser289, Lys367, Gln286, His323, Glu343 and His449 residues. An energetic analysis revealed binding free energy trends that supported known experimental findings of other authors describing better binding properties for PIO, ROSI and (S,S)-TRO than for 15d-PGJ2 and the TZD ring. Copyright © 2017 Elsevier Inc. All rights reserved.

  3. Health-related quality of life: validity, reliability, and responsiveness of SF-36, 15D, EQ-5D RAQoL, and HAQ in patients with rheumatoid arthritis

    DEFF Research Database (Denmark)

    Linde, L.; Sørensen, J.; Østergaard, Morten

    2008-01-01

    OBJECTIVE: To compare validity, reliability, and responsiveness of generic and disease specific health-related quality of life (HRQOL) instruments in rheumatoid arthritis (RA). METHODS: Two samples of patients completed the Medical Outcomes Study Short Form-36 Health Survey (SF-36), EuroQol (EQ)-5D...... and VAS pain were responsive to both improvement and deterioration. CONCLUSION: All instruments were valid measures for HRQOL in RA. The RAQoL and HAQ displayed the best reliability, while the SF-36 bodily pain scale and VAS pain were the most responsive. The choice of instrument should depend......, 15D, Rheumatoid Arthritis Quality of Life Scale (RAQoL), Health Assessment Questionnaire (HAQ), and visual analog scales (VAS) for pain, fatigue, and global RA. Validity (convergent, discriminant, and known-groups) was evaluated in a cross-section of 200 patients. Reliability was evaluated...

  4. Comparing 1.5D ONETWO and 2D SOLPS analyses of inter-ELM H-mode plasma in DIII-D

    International Nuclear Information System (INIS)

    Owen, Larry W.; Canik, John; Groebner, R.; Callen, J.D.; Bonnin, X.; Osborne, T.H.

    2010-01-01

    A DIII-D inter-ELM H-mode plasma that is in approximate transport equilibrium is analysed with the 1.5D ONETWO core code and the 2D SOLPS code. In order to investigate the importance of core-edge coupling and 2D effects, including divertor fuelling across the X-point and poloidal asymmetries that are not explicitly included in ONETWO, the domain of SOLPS is extended to very near the magnetic axis. Two principal objectives are (1) to determine whether poloidal asymmetries in the plasma distributions are large enough to vitiate a core-type interpretive plasma transport analysis and (2) to determine whether the interpretive transport coefficients and neutral beam power and particle sources from ONETWO, when used in 2D SOLPS full plasma simulations, yield the same quality fits to the measured upstream density and temperature profiles as obtained with ONETWO. Results show that only a small increase in the separatrix value of the particle diffusion coefficient, and no change in the thermal diffusivities from ONETWO was needed to get excellent agreement of the upstream SOLPS density and temperature profiles and the Thomson scattering and CER data. Good agreement of the ONETWO and SOLPS flux surface averaged distributions of the core electron and D+ densities and temperatures are also obtained. Likewise the C6+ density, with a simple chemical sputtering model based on a constant fraction of the divertor D+ flux, the core heat and particle fluxes and the neutral density reveal no 2D effects in the core/pedestal region that would vitiate a 1.5D treatment of the inter-ELM H-mode plasma.

  5. Quantum dynamics in dual spaces

    International Nuclear Information System (INIS)

    Sudarshan, E.C.G.

    1993-01-01

    Quantum mechanics gives us information about spectra of dynamical variables and transition rates including scattering cross sections. They can be exhibited as spectral information in analytically continued spaces and their duals. Quantum mechanics formulated in these generalized spaces is used to study scattering and time evolution. It is shown that the usual asymptotic condition is inadequate to deal with scattering of composite or unstable particles. Scattering theory needs amendment when the interacting system is not isospectral with the free Hamiltonian, and the amendment is formulated. Perturbation theory in generalized spaces is developed and used to study the deletion and augmentation of the spectrum of the Hamiltonian. A complete set of algebraically independent constants for an interacting system is obtained. The question of the breaking of time symmetry is discussed

  6. Theory of controlled quantum dynamics

    Energy Technology Data Exchange (ETDEWEB)

    De Martino, Salvatore; De Siena, Silvio; Illuminati, Fabrizio [Dipartimento di Fisica, Universita di Salerno, and INFN, Sezione di Napoli, Gruppo collegato di Salerno, Baronissi (Italy)

    1997-06-07

    We introduce a general formalism to obtain localized quantum wavepackets as dynamically controlled systems, in the framework of Nelson stochastic quantization. We show that in general the control is linear, and it amounts to introducing additional time-dependent terms in the potential. In this way one can construct for general systems either coherent packets following classical motion with constant dispersion, or coherent packets following classical motion whose time-dependent dispersion remains bounded for all times. We show that in the operatorial language our scheme amounts to introducing a suitable generalization to arbitrary potentials of the displacement and scaling operators that generate the coherent and squeezed states of the harmonic oscillator. (author)

  7. Quantum dynamics without the wavefunction

    International Nuclear Information System (INIS)

    Sorkin, Rafael D

    2007-01-01

    When suitably generalized and interpreted, the path integral offers an alternative to the more familiar quantal formalism based on state vectors, self-adjoint operators and external observers. Mathematically one generalizes the path-integral-as-propagator to a quantal measure μ on the space Ω of all 'conceivable worlds', and this generalized measure expresses the dynamics or law of motion of the theory, much as Wiener measure expresses the dynamics of Brownian motion. Within such 'histories-based' schemes new and more 'realistic' possibilities open up for resolving the philosophical problems of the state-vector formalism. In particular, one can dispense with the need for external agents by locating the predictive content of μ in its sets of measure zero: such sets are to be 'precluded'. But unrestricted application of this rule engenders contradictions. One possible response would remove the contradictions by circumscribing the application of the preclusion concept. Another response, more in the tradition of 'quantum logic', would accommodate the contradictions by dualizing Ω to a space of 'co-events' and effectively identifying reality with an element of this dual space

  8. Chaotic scattering and quantum dynamics

    International Nuclear Information System (INIS)

    Doron, Eyal.

    1992-11-01

    The main concern of this thesis is the application of the semiclassical approximation to quantum chaotic scattering systems. We deal with two separate, although interconnected, subjects. The first subject dealt with is the semiclassical characterization of the fluctuations of the S matrix. A particular important parameter is the magnetic field B, and we show how the correlation length and line shape of S matrix elements under a change of B may be derived. An effect which is present in many physical wave systems is absorption of energy flux. We show how absorption affects both the reflectivity and the scattering phase and time delay of a scattering system. In the second part of the thesis, we show how the formalism and results obtained from chaotic scattering can be applied to the investigation of closed chaotic systems, and in particular to chaotic billiards. The semiclassical expansion for billiards is presented. In the last part of the thesis we deal with the statistics of S matrices of chaotic scattering systems. The main message of this work is that scattering matrix, and its classical counterpart the Poincare Scattering Map can be used to yield a powerful formulation of the quantum mechanical dynamics of bounded systems. (author)

  9. The Study of Sawtooth Oscillation during ECRH of HL-2A-like Plasma using 1.5D BALDUR Code

    International Nuclear Information System (INIS)

    Promping, J.; Onjun, T.; Poolyarat, N.; Picha, R.

    2009-07-01

    Full text: One of the current issues in tokamak plasma is sawtooth oscillation, because each sawtooth crash results in a significant reduction of central temperature and density. Consequently, the nuclear fusion power will drop. This has a significant impact on the performance of future nuclear fusion power plants. In this work, behaviors of sawtooth oscillations during an electron-cyclotron resonant heating (ECRH) in HL-2A tokamak experiment are studied. The simulation of plasma in HL-2A tokamak is carried out using the 1.5 D BALDUR integrated predictive modeling code, where the plasma core can be described by the combination of anomalous and neoclassical transport. This simulation used the Mixed Bohm/Gyro-Bohm (Mixed B/gB) model for the anomalous transport and the the NCLASS module for the neoclassical transport. For the anomamouse transport, we use Multimode (MMM95) model, while for the neoclassical transport, we use the NCLASS module for the neoclassical transport. In each simulation, a sawtooth crash is predicted by either Rogers-Zakharov sawtooth triggering model, Park-Monticello sawtooth triggering model, or Porcelli sawtooth triggering model. The effect of sawtooth crash is described by a modified Kadomtsev magnetic reconnection model

  10. 15-Deoxy-Δ12,14-prostaglandin J2 (15d-PGJ2) mediates repression of TNF-α by decreasing levels of acetylated histone H3 and H4 at its promoter

    International Nuclear Information System (INIS)

    Engdahl, Ryan; Monroy, M. Alexandra; Daly, John M.

    2007-01-01

    Prostaglandin metabolite 15-Deoxy-Δ 12,14 -prostaglandin J2 (15d-PGJ2) is known to inhibit a number of pro-inflammatory cytokines as well as being a ligand for nuclear receptor PPARγ. We investigated the ability of 15d-PGJ2 to inhibit TNF-α gene expression through mechanisms that involve histone modification. Pretreatment with 15d-PGJ2 (10 μM) inhibited LPS-stimulated TNF-α mRNA in THP-1 monocytes or PMA-differentiated cells to nearly basal levels. A specific PPARγ ligand, GW1929, failed to inhibit LPS-induced TNF-α mRNA expression nor did a PPARγ antagonist, GW9662, alter the repression of TNF-α mRNA in LPS-stimulated cells pretreated with 15d-PGJ2 suggesting a PPARγ-independent inhibition of TNF-α mRNA in THP-1 cells. Transfection studies with a reporter construct and subsequent treatment with 15d-PGJ2 demonstrated a dose-dependent inhibition of the TNF-α promoter. Additional studies demonstrated that inhibition of histone deacetylases with trichostatin A (TSA) or overexpression of histone acetyltransferase CBP could overcome 15d-PGJ2-mediated repression of the TNF-α promoter, suggesting that an important mechanism whereby 15d-PGJ2 suppresses a cytokine is through factors that regulate histone modifications. To examine the endogenous TNF-α promoter, chromatin immunoprecipitations (ChIP) were performed. ChIP assays demonstrated that LPS stimulation induced an increase in histone H3 and H4 acetylation at the TNF-α promoter, which was reduced in cells pretreated with 15d-PGJ2. These results highlight the ability of acetylation and deacetylation factors to affect the TNF-α promoter and demonstrate that an additional important mechanism whereby 15d-PGJ2 mediates TNF-α transcriptional repression by altering levels of acetylated histone H3 and H4 at its promoter

  11. Dimensional Analysis

    Indian Academy of Sciences (India)

    Dimensional analysis is a useful tool which finds important applications in physics and engineering. It is most effective when there exist a maximal number of dimensionless quantities constructed out of the relevant physical variables. Though a complete theory of dimen- sional analysis was developed way back in 1914 in a.

  12. Time dependent quantum dynamics study of the O++H2(v=0,j=0)→OH++H ion-molecule reaction and isotopic variants (D2,HD)

    International Nuclear Information System (INIS)

    Martinez, Rodrigo; Sierra, Jose Daniel; Gray, Stephen K.; Gonzalez, Miguel

    2006-01-01

    The time dependent real wave packet method using the helicity decoupling approximation was used to calculate the cross section evolution with collision energy (excitation function) of the O + +H 2 (v=0,j=0)→OH + +H reaction and its isotopic variants with D 2 and HD, using the best available ab initio analytical potential energy surface. The comparison of the calculated excitation functions with exact quantum results and experimental data showed that the present quantum dynamics approach is a very useful tool for the study of the selected and related systems, in a quite wide collision energy interval (approximately 0.0-1.1 eV), involving a much lower computational cost than the quantum exact methods and without a significant loss of accuracy in the cross sections

  13. On the Aharonov-Casher system and the Landau-Aharonov-Casher system confined to a two-dimensional quantum ring

    International Nuclear Information System (INIS)

    Bakke, K.; Furtado, C.

    2012-01-01

    We study the quantum dynamics of a neutral particle in the Aharonov-Casher system and in the Landau-Aharonov-Casher system confined to a two-dimensional quantum ring, a quantum dot, and a quantum anti-dot potentials described by the Tan-Inkson model [W.-C. Tan and J. C. Inkson, Semicond. Sci. Technol. 11, 1635 (1996)]. We show, in the Aharonov-Casher system, that bound states can be achieved when the neutral particle is confined to the two-dimensional quantum ring and the quantum dot and discuss the appearance of persistent currents. In the Landau-Aharonov-Casher system, we show that bound states can be achieved when the neutral particle is confined to the quantum anti-dot, quantum dot, and the two-dimensional quantum ring, but there are no persistent currents.

  14. Three-dimensional photodissociation in strong laser fields: Memory-kernel effective-mode expansion

    International Nuclear Information System (INIS)

    Li Xuan; Thanopulos, Ioannis; Shapiro, Moshe

    2011-01-01

    We introduce a method for the efficient computation of non-Markovian quantum dynamics for strong (and time-dependent) system-bath interactions. The past history of the system dynamics is incorporated by expanding the memory kernel in exponential functions thereby transforming in an exact fashion the non-Markovian integrodifferential equations into a (larger) set of ''effective modes'' differential equations (EMDE). We have devised a method which easily diagonalizes the EMDE, thereby allowing for the efficient construction of an adiabatic basis and the fast propagation of the EMDE in time. We have applied this method to three-dimensional photodissociation of the H 2 + molecule by strong laser fields. Our calculations properly include resonance-Raman scattering via the continuum, resulting in extensive rotational and vibrational excitations. The calculated final kinetic and angular distribution of the photofragments are in overall excellent agreement with experiments, both when transform-limited pulses and when chirped pulses are used.

  15. Strong piezoelectric anisotropy d15/d33 in ⟨111⟩ textured Pb(Mg1/3Nb2/3)O3-Pb(Zr,Ti)O3 ceramics

    Science.gov (United States)

    Yan, Yongke; Priya, Shashank

    2015-08-01

    The shear mode piezoelectric properties of Pb(Mg1/3Nb2/3)O3-Pb(Zr,Ti)O3 (PMN-PZT) ceramic with 72% ⟨111⟩ texture were investigated. The piezoelectric anisotropic factor d15/d33 was as high as 8.5 in ⟨111⟩ textured ceramic as compared to 2.0 in random counterpart. The high d15/d33 indicates the "rotator" ferroelectric characteristics of PMN-PZT system and suggests that the large shear piezoelectric response contributes towards the high longitudinal piezoelectric response (d33) in non-polar direction (d33 = 1100 pC/N in ⟨001⟩ textured ceramic vs. d33 = 112 pC/N in ⟨111⟩ textured ceramic).

  16. Increasing the efficiency and accuracy of time-resolved electronic spectra calculations with on-the-fly ab initio quantum dynamics methods

    Science.gov (United States)

    Vanicek, Jiri

    2014-03-01

    Rigorous quantum-mechanical calculations of coherent ultrafast electronic spectra remain difficult. I will present several approaches developed in our group that increase the efficiency and accuracy of such calculations: First, we justified the feasibility of evaluating time-resolved spectra of large systems by proving that the number of trajectories needed for convergence of the semiclassical dephasing representation/phase averaging is independent of dimensionality. Recently, we further accelerated this approximation with a cellular scheme employing inverse Weierstrass transform and optimal scaling of the cell size. The accuracy of potential energy surfaces was increased by combining the dephasing representation with accurate on-the-fly ab initio electronic structure calculations, including nonadiabatic and spin-orbit couplings. Finally, the inherent semiclassical approximation was removed in the exact quantum Gaussian dephasing representation, in which semiclassical trajectories are replaced by communicating frozen Gaussian basis functions evolving classically with an average Hamiltonian. Among other examples I will present an on-the-fly ab initio semiclassical dynamics calculation of the dispersed time-resolved stimulated emission spectrum of the 54-dimensional azulene. This research was supported by EPFL and by the Swiss National Science Foundation NCCR MUST (Molecular Ultrafast Science and Technology) and Grant No. 200021124936/1.

  17. Mode specificity in the OH + CHD3 reaction: Reduced-dimensional quantum and quasi-classical studies on an ab initio based full-dimensional potential energy surface

    International Nuclear Information System (INIS)

    Song, Hongwei; Yang, Minghui; Lu, Yunpeng; Li, Jun; Guo, Hua

    2016-01-01

    An initial state selected time-dependent wave packet method is applied to study the dynamics of the OH + CHD 3 reaction with a six-dimensional model on a newly developed full-dimensional ab initio potential energy surface (PES). This quantum dynamical (QD) study is complemented by full-dimensional quasi-classical trajectory (QCT) calculations on the same PES. The QD results indicate that both translational energy and the excitation of the CH stretching mode significantly promote the reaction while the excitation of the umbrella mode has a negligible effect on the reactivity. For this early barrier reaction, interestingly, the CH stretching mode is more effective than translational energy in promoting the reaction except at very low collision energies. These QD observations are supported by QCT results. The higher efficacy of the CH stretching model in promoting this early barrier reaction is inconsistent with the prediction of the naively extended Polanyi’s rules, but can be rationalized by the recently proposed sudden vector projection model.

  18. Classical and quantum phases of low-dimensional dipolar systems

    Energy Technology Data Exchange (ETDEWEB)

    Cartarius, Florian

    2016-09-22

    In this thesis we present a detailed study of the phase diagram of ultracold bosonic atoms confined along a tight atomic wave guide, along which they experience an optical lattice potential. In this quasi-one dimensional model we analyse the interplay between interactions and quantum fluctuations in (i) determining the non-equilibrium steady state after a quench and (ii) giving rise to novel equilibrium phases, when the interactions combine the s-wave contact interaction and the anisotropic long range dipole-dipole interactions. In detail, in the first part of the thesis we study the depinning of a gas of impenetrable bosons following the sudden switch of of the optical lattice. By means of a Bose-Fermi mapping we infer the exact quantum dynamical evolution and show that in the thermodynamic limit the system is in a non-equilibrium steady state without quasi-long range order. In the second part of the thesis, we study the effect of quantum fluctuations on the linear-zigzag instability in the ground state of ultracold dipolar bosons, as a function of the strength of the transverse confinement. We first analyse the linear-zigzag instability in the classical regime, and then use our results to develop a multi-mode Bose-Hubbard model for the system. We then develop several numerical methods, to determine the ground state.

  19. Photoinduced charge-order melting dynamics in a one-dimensional interacting Holstein model

    Science.gov (United States)

    Hashimoto, Hiroshi; Ishihara, Sumio

    2017-07-01

    Transient quantum dynamics in an interacting fermion-phonon system are investigated with a focus on a charge order (CO) melting after a short optical-pulse irradiation and the roles of the quantum phonons in the transient dynamics. A spinless-fermion model in a one-dimensional chain coupled with local phonons is analyzed numerically. The infinite time-evolving block decimation algorithm is adopted as a reliable numerical method for one-dimensional quantum many-body systems. Numerical results for the photoinduced CO melting dynamics without phonons are well interpreted by the soliton picture for the CO domains. This interpretation is confirmed by numerical simulation of an artificial local excitation and the classical soliton model. In the case of large phonon frequencies corresponding to the antiadiabatic condition, CO melting is induced by propagations of the polaronic solitons with the renormalized soliton velocity. On the other hand, in the case of small phonon frequencies corresponding to the adiabatic condition, the first stage of the CO melting dynamics occurs due to the energy transfer from the fermionic to phononic systems, and the second stage is brought about by the soliton motions around the bottom of the soliton band. The analyses provide a standard reference for photoinduced CO melting dynamics in one-dimensional many-body quantum systems.

  20. Higher-dimensional bulk wormholes and their manifestations in brane worlds

    International Nuclear Information System (INIS)

    Rodrigo, Enrico

    2006-01-01

    There is nothing to prevent a higher-dimensional anti-de Sitter bulk spacetime from containing various other branes in addition to hosting our universe, presumed to be a positive-tension 3-brane. In particular, it could contain closed, microscopic branes that form the boundary surfaces of void bubbles and thus violate the null energy condition in the bulk. The possible existence of such micro branes can be investigated by considering the properties of the ground state of a pseudo-Wheeler-DeWitt equation describing brane quantum dynamics in minisuperspace. If they exist, a concentration of these micro branes could act as a fluid of exotic matter able to support macroscopic wormholes connecting otherwise-distant regions of the bulk. Were the brane constituting our universe to expand into a region of the bulk containing such higher-dimensional macroscopic wormholes, they would likely manifest themselves in our brane as wormholes of normal dimensionality, whose spontaneous appearance and general dynamics would seem inexplicably peculiar. This encounter could also result in the formation of baby universes of a particular type

  1. Evaluación de la gestión de los casos de incapacidad temporal por contingencia común de más de 15 días en Cataluña

    OpenAIRE

    Benavides, Fernando G.; Torá, Isabel; Martínez, José Miguel; Jardí, Josefina; Manzanera, Rafael; Alberti, Constança; Delclós, Jordi

    2010-01-01

    Objetivos: Comparar la duración de los casos de incapacidad temporal por contingencia común gestionados por las mutuas con los gestionados por el Instituto Nacional de la Seguridad Social (INSS). Métodos: Cohorte retrospectiva de 289.686 casos de incapacidad de más de 15 días de duración iniciados en 2005 tras su certificación por un médico de primaria en Cataluña (156.676 gestionados por el INSS), registrados en el Institut Català d'Avaluacions Mèdiques, y seguidos hasta su alta. La duración...

  2. Health-related quality of life: validity, reliability, and responsiveness of SF-36, 15D, EQ-5D [corrected] RAQoL, and HAQ in patients with rheumatoid arthritis

    DEFF Research Database (Denmark)

    Linde, Louise; Sørensen, Jan; Ostergaard, Mikkel

    2008-01-01

    .21-6.47). The longitudinal sample included 80% women, median age 60 years (22-82). Validity: all instruments discriminated between low, moderate, and high DAS28. Reliability: RAQoL and HAQ displayed good repeatability (ICC > 0.95) and internal consistency (Cronbach's alpha > 0.90). Responsiveness: SF-36 bodily pain scale......, 15D, Rheumatoid Arthritis Quality of Life Scale (RAQoL), Health Assessment Questionnaire (HAQ), and visual analog scales (VAS) for pain, fatigue, and global RA. Validity (convergent, discriminant, and known-groups) was evaluated in a cross-section of 200 patients. Reliability was evaluated...... questionnaires (at 2 weeks and 6 months) included questions about changes in health status since baseline. RESULTS: The cross-sectional sample included 77% women, median age 57 years (range 19-87), disease duration 6 years (0-58), with Disease Activity Score 28-joint count (DAS28) of 3.10 (1...

  3. The hydrogen tunneling splitting in malonaldehyde: A full-dimensional time-independent quantum mechanical method

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Feng; Ren, Yinghui; Bian, Wensheng, E-mail: bian@iccas.ac.cn [Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); University of Chinese Academy of Sciences, Beijing 100049 (China)

    2016-08-21

    The accurate time-independent quantum dynamics calculations on the ground-state tunneling splitting of malonaldehyde in full dimensionality are reported for the first time. This is achieved with an efficient method developed by us. In our method, the basis functions are customized for the hydrogen transfer process which has the effect of greatly reducing the size of the final Hamiltonian matrix, and the Lanczos method and parallel strategy are used to further overcome the memory and central processing unit time bottlenecks. The obtained ground-state tunneling splitting of 24.5 cm{sup −1} is in excellent agreement with the benchmark value of 23.8 cm{sup −1} computed with the full-dimensional, multi-configurational time-dependent Hartree approach on the same potential energy surface, and we estimate that our reported value has an uncertainty of less than 0.5 cm{sup −1}. Moreover, the role of various vibrational modes strongly coupled to the hydrogen transfer process is revealed.

  4. Non recurrent behaviour in quantum dynamics

    International Nuclear Information System (INIS)

    Casati, G.; Guarneri, I.

    1984-01-01

    We study the motion of a quantum rotator under an external periodic perturbation. For the resonant case, i.e. when the frequency of driving pulses is rationally connected with the frequencies of the free rotator, the quasi-energy spectrum is known to be continuous. We prove that for a generic choice of the potential there is a non-empty set of non-resonant values of the external frequency such that the quasi-energy spectrum still has a continuous component. (orig.)

  5. Formulations of classical and quantum dynamical theory

    CERN Document Server

    Rosen, Gerald

    1969-01-01

    In this book, we study theoretical and practical aspects of computing methods for mathematical modelling of nonlinear systems. A number of computing techniques are considered, such as methods of operator approximation with any given accuracy; operator interpolation techniques including a non-Lagrange interpolation; methods of system representation subject to constraints associated with concepts of causality, memory and stationarity; methods of system representation with an accuracy that is the best within a given class of models; methods of covariance matrix estimation;methods for low-rank

  6. Quantum dynamics in regions of quaternionic curvature

    International Nuclear Information System (INIS)

    Brumby, S.P.; Joshi, G.

    1994-01-01

    The complex unit appearing in the equations of quantum mechanics is generalised to a quaternionic structure on spacetime, leading to the consideration of complex quantum mechanical particles whose dynamical behaviour is governed by inhomogeneous Dirac and Schroedinger equations. Mixing of hyper-complex components of wavefunctions occurs through their interaction with potentials dissipative into the extra quaternionic degrees of freedom. An interferometric experiment is analysed to illustrate the effect. 11 refs

  7. Open quantum dynamics via environmental monitoring

    Energy Technology Data Exchange (ETDEWEB)

    Hornberger, Klaus [Arnold Sommerfeld Center for Theoretical Physics, Ludwig-Maximilians-Universitaet Muenchen, Theresienstrasse 37, 80333 Munich (Germany)

    2007-05-15

    A general method is discussed to obtain Markovian master equations which describe the interaction with the environment in a microscopic and non-perturbative fashion. It is based on combining time-dependent scattering theory with the concept of continuous quantum measurements. The applications to the case of a Brownian point particle and to the case of a complex molecule, both in the presence of a gaseous environment, are outlined.

  8. Testing quantum dynamics in genetic information processing

    Indian Academy of Sciences (India)

    Unknown

    Centre for Theoretical Studies, and Supercomputer Education and Research Centre,. Indian Institute .... values of a and comparing their replication rates, we can experimentally ... This is a substantial tolerance margin for the quantum algorithm ...

  9. Driven Quantum Dynamics: Will It Blend?

    Directory of Open Access Journals (Sweden)

    Leonardo Banchi

    2017-10-01

    Full Text Available Randomness is an essential tool in many disciplines of modern sciences, such as cryptography, black hole physics, random matrix theory, and Monte Carlo sampling. In quantum systems, random operations can be obtained via random circuits thanks to so-called q-designs and play a central role in condensed-matter physics and in the fast scrambling conjecture for black holes. Here, we consider a more physically motivated way of generating random evolutions by exploiting the many-body dynamics of a quantum system driven with stochastic external pulses. We combine techniques from quantum control, open quantum systems, and exactly solvable models (via the Bethe ansatz to generate Haar-uniform random operations in driven many-body systems. We show that any fully controllable system converges to a unitary q-design in the long-time limit. Moreover, we study the convergence time of a driven spin chain by mapping its random evolution into a semigroup with an integrable Liouvillian and finding its gap. Remarkably, we find via Bethe-ansatz techniques that the gap is independent of q. We use mean-field techniques to argue that this property may be typical for other controllable systems, although we explicitly construct counterexamples via symmetry-breaking arguments to show that this is not always the case. Our findings open up new physical methods to transform classical randomness into quantum randomness, via a combination of quantum many-body dynamics and random driving.

  10. Quantum dynamical framework for Brownian heat engines

    Science.gov (United States)

    Agarwal, G. S.; Chaturvedi, S.

    2013-07-01

    We present a self-contained formalism modeled after the Brownian motion of a quantum harmonic oscillator for describing the performance of microscopic Brownian heat engines such as Carnot, Stirling, and Otto engines. Our theory, besides reproducing the standard thermodynamics results in the steady state, enables us to study the role dissipation plays in determining the efficiency of Brownian heat engines under actual laboratory conditions. In particular, we analyze in detail the dynamics associated with decoupling a system in equilibrium with one bath and recoupling it to another bath and obtain exact analytical results, which are shown to have significant ramifications on the efficiencies of engines involving such a step. We also develop a simple yet powerful technique for computing corrections to the steady state results arising from finite operation time and use it to arrive at the thermodynamic complementarity relations for various operating conditions and also to compute the efficiencies of the three engines cited above at maximum power. Some of the methods and exactly solvable models presented here are interesting in their own right and could find useful applications in other contexts as well.

  11. Molecular quantum dynamics from theory to applications

    CERN Document Server

    Gatti, Fabien

    2014-01-01

    Emphasizing fundamental educational concepts, this book offers an accessible introduction that covers eigenstates, wave packets, quantum mechanical resonances and more. Examples show that high-level experiments and theory must work closely together.

  12. Adiabatic perturbation theory in quantum dynamics

    CERN Document Server

    Teufel, Stefan

    2003-01-01

    Separation of scales plays a fundamental role in the understanding of the dynamical behaviour of complex systems in physics and other natural sciences. A prominent example is the Born-Oppenheimer approximation in molecular dynamics. This book focuses on a recent approach to adiabatic perturbation theory, which emphasizes the role of effective equations of motion and the separation of the adiabatic limit from the semiclassical limit. A detailed introduction gives an overview of the subject and makes the later chapters accessible also to readers less familiar with the material. Although the general mathematical theory based on pseudodifferential calculus is presented in detail, there is an emphasis on concrete and relevant examples from physics. Applications range from molecular dynamics to the dynamics of electrons in a crystal and from the quantum mechanics of partially confined systems to Dirac particles and nonrelativistic QED.

  13. Computational approach to large quantum dynamical problems

    International Nuclear Information System (INIS)

    Friesner, R.A.; Brunet, J.P.; Wyatt, R.E.; Leforestier, C.; Binkley, S.

    1987-01-01

    The organizational structure is described for a new program that permits computations on a variety of quantum mechanical problems in chemical dynamics and spectroscopy. Particular attention is devoted to developing and using algorithms that exploit the capabilities of current vector supercomputers. A key component in this procedure is the recursive transformation of the large sparse Hamiltonian matrix into a much smaller tridiagonal matrix. An application to time-dependent laser molecule energy transfer is presented. Rate of energy deposition in the multimode molecule for systematic variations in the molecular intermode coupling parameters is emphasized

  14. Quantum dynamics of classical stochastic systems

    Energy Technology Data Exchange (ETDEWEB)

    Casati, G

    1983-01-01

    It is shown that one hand Quantum Mechanics introduces limitations to the manifestations of chaotic motion resulting, for the case of the periodically kicked rotator, in the limitation of energy growth; also, as it is confirmed by numerical experiments, phenomena like the exponential instability of orbits, inherent to strongly chaotic systems, are absent here and therefore Quantum Mechanics appear to be more stable and predictable than Classical Mechanics. On the other hand, we have seen that nonrecurrent behavior may arise in Quantum Systems and it is connected to the presence of singular continuous spectrum. We conjecture that the classical chaotic behavior is reflected, at least partially, in the nature of the spectrum and the singular-continuity of the latter may possess a self-similar structure typical of classical chaos.

  15. Quantum dynamics of fast chemical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Light, J.C. [Univ. of Chicago, IL (United States)

    1993-12-01

    The aims of this research are to explore, develop, and apply theoretical methods for the evaluation of the dynamics of gas phase collision processes, primarily chemical reactions. The primary theoretical tools developed for this work have been quantum scattering theory, both in time dependent and time independent forms. Over the past several years, the authors have developed and applied methods for the direct quantum evaluation of thermal rate constants, applying these to the evaluation of the hydrogen isotopic exchange reactions, applied wave packet propagation techniques to the dissociation of Rydberg H{sub 3}, incorporated optical potentials into the evaluation of thermal rate constants, evaluated the use of optical potentials for state-to-state reaction probability evaluations, and, most recently, have developed quantum approaches for electronically non-adiabatic reactions which may be applied to simplify calculations of reactive, but electronically adiabatic systems. Evaluation of the thermal rate constants and the dissociation of H{sub 3} were reported last year, and have now been published.

  16. Quantum Dynamics in the HMF Model

    Science.gov (United States)

    Plestid, Ryan; O'Dell, Duncan

    2017-04-01

    The Hamiltonian Mean Field (HMF) model represents a paradigm in the study of long-range interactions but has never been realized in a lab. Recently Shutz and Morigi (PRL 113) have come close but ultimately fallen short. Their proposal relied on cavity-induced interactions between atoms. If a design using cold atoms is to be successful, an understanding of quantum effects is essential. I will outline the natural quantum generalization of the HMF assuming a BEC by using a generalized Gross-Pitaevskii equation (gGPE). I will show how quantum effects modify features which are well understood in the classical model. More specifically, by working in the semi-classical regime (strong interparticle interactions) we can identify the universal features predicted by catastrophe theory dressed with quantum interference effects. The stationary states of gGPE can be solved exactly and are found to be described by self-consistent Mathieu functions. Finally, I will discuss the connection between the classical description of the dynamics in terms of the Vlassov equation, and the gGPE. We would like to thank the Government of Ontario's OGS program, NSERC, and the Perimeter Institute of Theoretical Physics.

  17. Two-dimensional errors

    International Nuclear Information System (INIS)

    Anon.

    1991-01-01

    This chapter addresses the extension of previous work in one-dimensional (linear) error theory to two-dimensional error analysis. The topics of the chapter include the definition of two-dimensional error, the probability ellipse, the probability circle, elliptical (circular) error evaluation, the application to position accuracy, and the use of control systems (points) in measurements

  18. A full dimensional investigation of infrared spectroscopy of the RbCs dimer using the multi-configuration time-dependent Hartree method

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Huihui; Yang, Yonggang, E-mail: ygyang@sxu.edu.cn; Xiao, Liantuan; Jia, Suotang [State Key Laboratory of Quantum Optics and Quantum Optics Devices, Institute of Laser Spectroscopy, Shanxi University, Taiyuan 030006 (China)

    2013-12-28

    The geometry and infrared absorption spectrum of (RbCs){sub 2} have been studied by full dimensional quantum dynamics simulations. For this purpose, the potential energy and dipole moment surfaces are generated by means of a cluster expansion with all two and three mode correlations, and fitted to analytical expressions with negligible deviations. Accordingly, the ground state (RbCs){sub 2} has a diamond geometry with D{sub 2h} symmetry. The infrared spectrum with frequencies up to 120 cm{sup −1}, exhibits rich details of the fundamentals, overtones, and combination bands; the highest fundamental frequency of (RbCs){sub 2} is only 40.26 cm{sup −1}. The present study unravels important details of the interactions between the widely investigated ultracold RbCs molecules.

  19. Mode specificity in the OH + CHD{sub 3} reaction: Reduced-dimensional quantum and quasi-classical studies on an ab initio based full-dimensional potential energy surface

    Energy Technology Data Exchange (ETDEWEB)

    Song, Hongwei, E-mail: hwsong@wipm.ac.cn; Yang, Minghui [Key Laboratory of Magnetic Resonance in Biological Systems, National Center for Magnetic Resonance in Wuhan, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071 (China); Lu, Yunpeng [Division of Chemistry and Biological Chemistry, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore 637371 (Singapore); Li, Jun [School of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044 (China); Guo, Hua [Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131 (United States)

    2016-04-28

    An initial state selected time-dependent wave packet method is applied to study the dynamics of the OH + CHD{sub 3} reaction with a six-dimensional model on a newly developed full-dimensional ab initio potential energy surface (PES). This quantum dynamical (QD) study is complemented by full-dimensional quasi-classical trajectory (QCT) calculations on the same PES. The QD results indicate that both translational energy and the excitation of the CH stretching mode significantly promote the reaction while the excitation of the umbrella mode has a negligible effect on the reactivity. For this early barrier reaction, interestingly, the CH stretching mode is more effective than translational energy in promoting the reaction except at very low collision energies. These QD observations are supported by QCT results. The higher efficacy of the CH stretching model in promoting this early barrier reaction is inconsistent with the prediction of the naively extended Polanyi’s rules, but can be rationalized by the recently proposed sudden vector projection model.

  20. Dimensional cosmological principles

    International Nuclear Information System (INIS)

    Chi, L.K.

    1985-01-01

    The dimensional cosmological principles proposed by Wesson require that the density, pressure, and mass of cosmological models be functions of the dimensionless variables which are themselves combinations of the gravitational constant, the speed of light, and the spacetime coordinates. The space coordinate is not the comoving coordinate. In this paper, the dimensional cosmological principle and the dimensional perfect cosmological principle are reformulated by using the comoving coordinate. The dimensional perfect cosmological principle is further modified to allow the possibility that mass creation may occur. Self-similar spacetimes are found to be models obeying the new dimensional cosmological principle

  1. COMPLEX VARIABILITY OF THE Hα EMISSION LINE PROFILE OF THE T TAURI BINARY SYSTEM KH 15D: THE INFLUENCE OF ORBITAL PHASE, OCCULTATION BY THE CIRCUMBINARY DISK, AND ACCRETION PHENOMENA

    International Nuclear Information System (INIS)

    Hamilton, Catrina M.; Johns-Krull, Christopher M.; Mundt, Reinhard; Herbst, William; Winn, Joshua N.

    2012-01-01

    We have obtained 48 high-resolution echelle spectra of the pre-main-sequence eclipsing binary system KH 15D (V582 Mon, P = 48.37 days, e ∼ 0.6, M A = 0.6 M ☉ , M B = 0.7 M ☉ ). The eclipses are caused by a circumbinary disk (CBD) seen nearly edge on, which at the epoch of these observations completely obscured the orbit of star B and a large portion of the orbit of star A. The spectra were obtained over five contiguous observing seasons from 2001/2002 to 2005/2006 while star A was fully visible, fully occulted, and during several ingress and egress events. The Hα line profile shows dramatic changes in these time series data over timescales ranging from days to years. A fraction of the variations are due to 'edge effects' and depend only on the height of star A above or below the razor sharp edge of the occulting disk. Other observed variations depend on the orbital phase: the Hα emission line profile changes from an inverse P-Cygni-type profile during ingress to an enhanced double-peaked profile, with both a blue and a red emission component, during egress. Each of these interpreted variations are complicated by the fact that there is also a chaotic, irregular component present in these profiles. We find that the complex data set can be largely understood in the context of accretion onto the stars from a CBD with gas flows as predicted by the models of eccentric T Tauri binaries put forward by Artymowicz and Lubow, Günther and Kley, and de Val-Borro et al. In particular, our data provide strong support for the pulsed accretion phenomenon, in which enhanced accretion occurs during and after perihelion passage.

  2. Lower dimensional gravity

    International Nuclear Information System (INIS)

    Brown, J.D.

    1988-01-01

    This book addresses the subject of gravity theories in two and three spacetime dimensions. The prevailing philosophy is that lower dimensional models of gravity provide a useful arena for developing new ideas and insights, which are applicable to four dimensional gravity. The first chapter consists of a comprehensive introduction to both two and three dimensional gravity, including a discussion of their basic structures. In the second chapter, the asymptotic structure of three dimensional Einstein gravity with a negative cosmological constant is analyzed. The third chapter contains a treatment of the effects of matter sources in classical two dimensional gravity. The fourth chapter gives a complete analysis of particle pair creation by electric and gravitational fields in two dimensions, and the resulting effect on the cosmological constant

  3. Three dimensional strained semiconductors

    Science.gov (United States)

    Voss, Lars; Conway, Adam; Nikolic, Rebecca J.; Leao, Cedric Rocha; Shao, Qinghui

    2016-11-08

    In one embodiment, an apparatus includes a three dimensional structure comprising a semiconductor material, and at least one thin film in contact with at least one exterior surface of the three dimensional structure for inducing a strain in the structure, the thin film being characterized as providing at least one of: an induced strain of at least 0.05%, and an induced strain in at least 5% of a volume of the three dimensional structure. In another embodiment, a method includes forming a three dimensional structure comprising a semiconductor material, and depositing at least one thin film on at least one surface of the three dimensional structure for inducing a strain in the structure, the thin film being characterized as providing at least one of: an induced strain of at least 0.05%, and an induced strain in at least 5% of a volume of the structure.

  4. Clustering high dimensional data

    DEFF Research Database (Denmark)

    Assent, Ira

    2012-01-01

    High-dimensional data, i.e., data described by a large number of attributes, pose specific challenges to clustering. The so-called ‘curse of dimensionality’, coined originally to describe the general increase in complexity of various computational problems as dimensionality increases, is known...... to render traditional clustering algorithms ineffective. The curse of dimensionality, among other effects, means that with increasing number of dimensions, a loss of meaningful differentiation between similar and dissimilar objects is observed. As high-dimensional objects appear almost alike, new approaches...... for clustering are required. Consequently, recent research has focused on developing techniques and clustering algorithms specifically for high-dimensional data. Still, open research issues remain. Clustering is a data mining task devoted to the automatic grouping of data based on mutual similarity. Each cluster...

  5. Numerical path integral solution to strong Coulomb correlation in one dimensional Hooke's atom

    Science.gov (United States)

    Ruokosenmäki, Ilkka; Gholizade, Hossein; Kylänpää, Ilkka; Rantala, Tapio T.

    2017-01-01

    We present a new approach based on real time domain Feynman path integrals (RTPI) for electronic structure calculations and quantum dynamics, which includes correlations between particles exactly but within the numerical accuracy. We demonstrate that incoherent propagation by keeping the wave function real is a novel method for finding and simulation of the ground state, similar to Diffusion Monte Carlo (DMC) method, but introducing new useful tools lacking in DMC. We use 1D Hooke's atom, a two-electron system with very strong correlation, as our test case, which we solve with incoherent RTPI (iRTPI) and compare against DMC. This system provides an excellent test case due to exact solutions for some confinements and because in 1D the Coulomb singularity is stronger than in two or three dimensional space. The use of Monte Carlo grid is shown to be efficient for which we determine useful numerical parameters. Furthermore, we discuss another novel approach achieved by combining the strengths of iRTPI and DMC. We also show usefulness of the perturbation theory for analytical approximates in case of strong confinements.

  6. Equilibrium and off-equilibrium trap-size scaling in one-dimensional ultracold bosonic gases

    International Nuclear Information System (INIS)

    Campostrini, Massimo; Vicari, Ettore

    2010-01-01

    We study some aspects of equilibrium and off-equilibrium quantum dynamics of dilute bosonic gases in the presence of a trapping potential. We consider systems with a fixed number of particles and study their scaling behavior with increasing the trap size. We focus on one-dimensional bosonic systems, such as gases described by the Lieb-Liniger model and its Tonks-Girardeau limit of impenetrable bosons, and gases constrained in optical lattices as described by the Bose-Hubbard model. We study their quantum (zero-temperature) behavior at equilibrium and off equilibrium during the unitary time evolution arising from changes of the trapping potential, which may be instantaneous or described by a power-law time dependence, starting from the equilibrium ground state for an initial trap size. Renormalization-group scaling arguments and analytical and numerical calculations show that the trap-size dependence of the equilibrium and off-equilibrium dynamics can be cast in the form of a trap-size scaling in the low-density regime, characterized by universal power laws of the trap size, in dilute gases with repulsive contact interactions and lattice systems described by the Bose-Hubbard model. The scaling functions corresponding to several physically interesting observables are computed. Our results are of experimental relevance for systems of cold atomic gases trapped by tunable confining potentials.

  7. Dimensional comparison theory.

    Science.gov (United States)

    Möller, Jens; Marsh, Herb W

    2013-07-01

    Although social comparison (Festinger, 1954) and temporal comparison (Albert, 1977) theories are well established, dimensional comparison is a largely neglected yet influential process in self-evaluation. Dimensional comparison entails a single individual comparing his or her ability in a (target) domain with his or her ability in a standard domain (e.g., "How good am I in math compared with English?"). This article reviews empirical findings from introspective, path-analytic, and experimental studies on dimensional comparisons, categorized into 3 groups according to whether they address the "why," "with what," or "with what effect" question. As the corresponding research shows, dimensional comparisons are made in everyday life situations. They impact on domain-specific self-evaluations of abilities in both domains: Dimensional comparisons reduce self-concept in the worse off domain and increase self-concept in the better off domain. The motivational basis for dimensional comparisons, their integration with recent social cognitive approaches, and the interdependence of dimensional, temporal, and social comparisons are discussed. PsycINFO Database Record (c) 2013 APA, all rights reserved.

  8. Three dimensional canonical transformations

    International Nuclear Information System (INIS)

    Tegmen, A.

    2010-01-01

    A generic construction of canonical transformations is given in three-dimensional phase spaces on which Nambu bracket is imposed. First, the canonical transformations are defined as based on cannonade transformations. Second, it is shown that determination of the generating functions and the transformation itself for given generating function is possible by solving correspondent Pfaffian differential equations. Generating functions of type are introduced and all of them are listed. Infinitesimal canonical transformations are also discussed as the complementary subject. Finally, it is shown that decomposition of canonical transformations is also possible in three-dimensional phase spaces as in the usual two-dimensional ones.

  9. Supersymmetric dimensional regularization

    International Nuclear Information System (INIS)

    Siegel, W.; Townsend, P.K.; van Nieuwenhuizen, P.

    1980-01-01

    There is a simple modification of dimension regularization which preserves supersymmetry: dimensional reduction to real D < 4, followed by analytic continuation to complex D. In terms of component fields, this means fixing the ranges of all indices on the fields (and therefore the numbers of Fermi and Bose components). For superfields, it means continuing in the dimensionality of x-space while fixing the dimensionality of theta-space. This regularization procedure allows the simple manipulation of spinor derivatives in supergraph calculations. The resulting rules are: (1) First do all algebra exactly as in D = 4; (2) Then do the momentum integrals as in ordinary dimensional regularization. This regularization procedure needs extra rules before one can say that it is consistent. Such extra rules needed for superconformal anomalies are discussed. Problems associated with renormalizability and higher order loops are also discussed

  10. Dimensional transition of the universe

    International Nuclear Information System (INIS)

    Terazawa, Hidezumi.

    1989-08-01

    In the extended n-dimensional Einstein theory of gravitation, where the spacetime dimension can be taken as a 'dynamical variable' which is determined by the 'Hamilton principle' of minimizing the extended Einstein-Hilbert action, it is suggested that our Universe of four-dimensional spacetime may encounter an astonishing dimensional transition into a new universe of three-dimensional or higher-than-four-dimensional spacetime. (author)

  11. Two-dimensional models

    International Nuclear Information System (INIS)

    Schroer, Bert; Freie Universitaet, Berlin

    2005-02-01

    It is not possible to compactly review the overwhelming literature on two-dimensional models in a meaningful way without a specific viewpoint; I have therefore tacitly added to the above title the words 'as theoretical laboratories for general quantum field theory'. I dedicate this contribution to the memory of J. A. Swieca with whom I have shared the passion of exploring 2-dimensional models for almost one decade. A shortened version of this article is intended as a contribution to the project 'Encyclopedia of mathematical physics' and comments, suggestions and critical remarks are welcome. (author)

  12. Three-dimensional neuroimaging

    International Nuclear Information System (INIS)

    Toga, A.W.

    1990-01-01

    This book reports on new neuroimaging technologies that are revolutionizing the study of the brain be enabling investigators to visualize its structure and entire pattern of functional activity in three dimensions. The book provides a theoretical and practical explanation of the new science of creating three-dimensional computer images of the brain. The coverage includes a review of the technology and methodology of neuroimaging, the instrumentation and procedures, issues of quantification, analytic protocols, and descriptions of neuroimaging systems. Examples are given to illustrate the use of three-dimensional enuroimaging to quantitate spatial measurements, perform analysis of autoradiographic and histological studies, and study the relationship between brain structure and function

  13. De fire dimensioner

    DEFF Research Database (Denmark)

    Larsen, Mihail

    De fire dimensioner er en humanistisk håndbog beregnet især på studerende og vejledere inden for humaniora, men kan også læses af andre med interesse for, hvad humanistisk forskning er og kan. Den er blevet til over et langt livs engageret forskning, uddannelse og formidling på Roskilde Universitet...... og udgør på den måde også et bidrag til universitetets historie, som jeg var med til at grundlægge. De fire dimensioner sætter mennesket i centrum. Men det er et centrum, der peger ud over sig selv; et centrum, hvorfra verden anskues, erfares og forstås. Alle mennesker har en forhistorie og en...... fremtid, og udstrakt mellem disse punkter i tiden tænker og handler de i rummet. Den menneskelige tilværelse omfatter alle fire dimensioner. De fire dimensioner udgør derfor også et forsvar for en almen dannelse, der gennemtrænger og kommer kulturelt til udtryk i vores historie, viden, praksis og kunst....

  14. dimensional nonlinear evolution equations

    Indian Academy of Sciences (India)

    in real-life situations, it is important to find their exact solutions. Further, in ... But only little work is done on the high-dimensional equations. .... Similarly, to determine the values of d and q, we balance the linear term of the lowest order in eq.

  15. Finite-dimensional calculus

    International Nuclear Information System (INIS)

    Feinsilver, Philip; Schott, Rene

    2009-01-01

    We discuss topics related to finite-dimensional calculus in the context of finite-dimensional quantum mechanics. The truncated Heisenberg-Weyl algebra is called a TAA algebra after Tekin, Aydin and Arik who formulated it in terms of orthofermions. It is shown how to use a matrix approach to implement analytic representations of the Heisenberg-Weyl algebra in univariate and multivariate settings. We provide examples for the univariate case. Krawtchouk polynomials are presented in detail, including a review of Krawtchouk polynomials that illustrates some curious properties of the Heisenberg-Weyl algebra, as well as presenting an approach to computing Krawtchouk expansions. From a mathematical perspective, we are providing indications as to how to implement infinite terms Rota's 'finite operator calculus'.

  16. Dimensional analysis for engineers

    CERN Document Server

    Simon, Volker; Gomaa, Hassan

    2017-01-01

    This monograph provides the fundamentals of dimensional analysis and illustrates the method by numerous examples for a wide spectrum of applications in engineering. The book covers thoroughly the fundamental definitions and the Buckingham theorem, as well as the choice of the system of basic units. The authors also include a presentation of model theory and similarity solutions. The target audience primarily comprises researchers and practitioners but the book may also be suitable as a textbook at university level.

  17. Three Dimensional Dirac Semimetals

    Science.gov (United States)

    Zaheer, Saad

    2014-03-01

    Dirac points on the Fermi surface of two dimensional graphene are responsible for its unique electronic behavior. One can ask whether any three dimensional materials support similar pseudorelativistic physics in their bulk electronic spectra. This possibility has been investigated theoretically and is now supported by two successful experimental demonstrations reported during the last year. In this talk, I will summarize the various ways in which Dirac semimetals can be realized in three dimensions with primary focus on a specific theory developed on the basis of representations of crystal spacegroups. A three dimensional Dirac (Weyl) semimetal can appear in the presence (absence) of inversion symmetry by tuning parameters to the phase boundary separating a bulk insulating and a topological insulating phase. More generally, we find that specific rules governing crystal symmetry representations of electrons with spin lead to robust Dirac points at high symmetry points in the Brillouin zone. Combining these rules with microscopic considerations identifies six candidate Dirac semimetals. Another method towards engineering Dirac semimetals involves combining crystal symmetry and band inversion. Several candidate materials have been proposed utilizing this mechanism and one of the candidates has been successfully demonstrated as a Dirac semimetal in two independent experiments. Work carried out in collaboration with: Julia A. Steinberg, Steve M. Young, J.C.Y. Teo, C.L. Kane, E.J. Mele and Andrew M. Rappe.

  18. hdm: High-dimensional metrics

    OpenAIRE

    Chernozhukov, Victor; Hansen, Christian; Spindler, Martin

    2016-01-01

    In this article the package High-dimensional Metrics (\\texttt{hdm}) is introduced. It is a collection of statistical methods for estimation and quantification of uncertainty in high-dimensional approximately sparse models. It focuses on providing confidence intervals and significance testing for (possibly many) low-dimensional subcomponents of the high-dimensional parameter vector. Efficient estimators and uniformly valid confidence intervals for regression coefficients on target variables (e...

  19. An alternative dimensional reduction prescription

    International Nuclear Information System (INIS)

    Edelstein, J.D.; Giambiagi, J.J.; Nunez, C.; Schaposnik, F.A.

    1995-08-01

    We propose an alternative dimensional reduction prescription which in respect with Green functions corresponds to drop the extra spatial coordinate. From this, we construct the dimensionally reduced Lagrangians both for scalars and fermions, discussing bosonization and supersymmetry in the particular 2-dimensional case. We argue that our proposal is in some situations more physical in the sense that it maintains the form of the interactions between particles thus preserving the dynamics corresponding to the higher dimensional space. (author). 12 refs

  20. Three-dimensional ICT reconstruction

    International Nuclear Information System (INIS)

    Zhang Aidong; Li Ju; Chen Fa; Sun Lingxia

    2005-01-01

    The three-dimensional ICT reconstruction method is the hot topic of recent ICT technology research. In the context, qualified visual three-dimensional ICT pictures are achieved through multi-piece two-dimensional images accumulation by, combining with thresholding method and linear interpolation. Different direction and different position images of the reconstructed pictures are got by rotation and interception respectively. The convenient and quick method is significantly instructive to more complicated three-dimensional reconstruction of ICT images. (authors)

  1. Three-dimensional ICT reconstruction

    International Nuclear Information System (INIS)

    Zhang Aidong; Li Ju; Chen Fa; Sun Lingxia

    2004-01-01

    The three-dimensional ICT reconstruction method is the hot topic of recent ICT technology research. In the context qualified visual three-dimensional ICT pictures are achieved through multi-piece two-dimensional images accumulation by order, combining with thresholding method and linear interpolation. Different direction and different position images of the reconstructed pictures are got by rotation and interception respectively. The convenient and quick method is significantly instructive to more complicated three-dimensional reconstruction of ICT images. (authors)

  2. Dimensional control of die castings

    Science.gov (United States)

    Karve, Aniruddha Ajit

    The demand for net shape die castings, which require little or no machining, is steadily increasing. Stringent customer requirements are forcing die casters to deliver high quality castings in increasingly short lead times. Dimensional conformance to customer specifications is an inherent part of die casting quality. The dimensional attributes of a die casting are essentially dependent upon many factors--the quality of the die and the degree of control over the process variables being the two major sources of dimensional error in die castings. This study focused on investigating the nature and the causes of dimensional error in die castings. The two major components of dimensional error i.e., dimensional variability and die allowance were studied. The major effort of this study was to qualitatively and quantitatively study the effects of casting geometry and process variables on die casting dimensional variability and die allowance. This was accomplished by detailed dimensional data collection at production die casting sites. Robust feature characterization schemes were developed to describe complex casting geometry in quantitative terms. Empirical modeling was utilized to quantify the effects of the casting variables on dimensional variability and die allowance for die casting features. A number of casting geometry and process variables were found to affect dimensional variability in die castings. The dimensional variability was evaluated by comparisons with current published dimensional tolerance standards. The casting geometry was found to play a significant role in influencing the die allowance of the features measured. The predictive models developed for dimensional variability and die allowance were evaluated to test their effectiveness. Finally, the relative impact of all the components of dimensional error in die castings was put into perspective, and general guidelines for effective dimensional control in the die casting plant were laid out. The results of

  3. One-Dimensionality and Whiteness

    Science.gov (United States)

    Calderon, Dolores

    2006-01-01

    This article is a theoretical discussion that links Marcuse's concept of one-dimensional society and the Great Refusal with critical race theory in order to achieve a more robust interrogation of whiteness. The author argues that in the context of the United States, the one-dimensionality that Marcuse condemns in "One-Dimensional Man" is best…

  4. Two-dimensional NMR spectrometry

    International Nuclear Information System (INIS)

    Farrar, T.C.

    1987-01-01

    This article is the second in a two-part series. In part one (ANALYTICAL CHEMISTRY, May 15) the authors discussed one-dimensional nuclear magnetic resonance (NMR) spectra and some relatively advanced nuclear spin gymnastics experiments that provide a capability for selective sensitivity enhancements. In this article and overview and some applications of two-dimensional NMR experiments are presented. These powerful experiments are important complements to the one-dimensional experiments. As in the more sophisticated one-dimensional experiments, the two-dimensional experiments involve three distinct time periods: a preparation period, t 0 ; an evolution period, t 1 ; and a detection period, t 2

  5. Mining High-Dimensional Data

    Science.gov (United States)

    Wang, Wei; Yang, Jiong

    With the rapid growth of computational biology and e-commerce applications, high-dimensional data becomes very common. Thus, mining high-dimensional data is an urgent problem of great practical importance. However, there are some unique challenges for mining data of high dimensions, including (1) the curse of dimensionality and more crucial (2) the meaningfulness of the similarity measure in the high dimension space. In this chapter, we present several state-of-art techniques for analyzing high-dimensional data, e.g., frequent pattern mining, clustering, and classification. We will discuss how these methods deal with the challenges of high dimensionality.

  6. Magnetic quantum tunneling: key insights from multi-dimensional high-field EPR.

    Science.gov (United States)

    Lawrence, J; Yang, E-C; Hendrickson, D N; Hill, S

    2009-08-21

    Multi-dimensional high-field/frequency electron paramagnetic resonance (HFEPR) spectroscopy is performed on single-crystals of the high-symmetry spin S = 4 tetranuclear single-molecule magnet (SMM) [Ni(hmp)(dmb)Cl](4), where hmp(-) is the anion of 2-hydroxymethylpyridine and dmb is 3,3-dimethyl-1-butanol. Measurements performed as a function of the applied magnetic field strength and its orientation within the hard-plane reveal the four-fold behavior associated with the fourth order transverse zero-field splitting (ZFS) interaction, (1/2)B(S + S), within the framework of a rigid spin approximation (with S = 4). This ZFS interaction mixes the m(s) = +/-4 ground states in second order of perturbation, generating a sizeable (12 MHz) tunnel splitting, which explains the fast magnetic quantum tunneling in this SMM. Meanwhile, multi-frequency measurements performed with the field parallel to the easy-axis reveal HFEPR transitions associated with excited spin multiplets (S spin s = 1 Ni(II) ions within the cluster, as well as a characterization of the ZFS within excited states. The combined experimental studies support recent work indicating that the fourth order anisotropy associated with the S = 4 state originates from second order ZFS interactions associated with the individual Ni(II) centers, but only as a result of higher-order processes that occur via S-mixing between the ground state and higher-lying (S spin multiplets. We argue that this S-mixing plays an important role in the low-temperature quantum dynamics associated with many other well known SMMs.

  7. Higher (odd dimensional quantum Hall effect and extended dimensional hierarchy

    Directory of Open Access Journals (Sweden)

    Kazuki Hasebe

    2017-07-01

    Full Text Available We demonstrate dimensional ladder of higher dimensional quantum Hall effects by exploiting quantum Hall effects on arbitrary odd dimensional spheres. Non-relativistic and relativistic Landau models are analyzed on S2k−1 in the SO(2k−1 monopole background. The total sub-band degeneracy of the odd dimensional lowest Landau level is shown to be equal to the winding number from the base-manifold S2k−1 to the one-dimension higher SO(2k gauge group. Based on the chiral Hopf maps, we clarify the underlying quantum Nambu geometry for odd dimensional quantum Hall effect and the resulting quantum geometry is naturally embedded also in one-dimension higher quantum geometry. An origin of such dimensional ladder connecting even and odd dimensional quantum Hall effects is illuminated from a viewpoint of the spectral flow of Atiyah–Patodi–Singer index theorem in differential topology. We also present a BF topological field theory as an effective field theory in which membranes with different dimensions undergo non-trivial linking in odd dimensional space. Finally, an extended version of the dimensional hierarchy for higher dimensional quantum Hall liquids is proposed, and its relationship to quantum anomaly and D-brane physics is discussed.

  8. Multi-dimensional imaging

    CERN Document Server

    Javidi, Bahram; Andres, Pedro

    2014-01-01

    Provides a broad overview of advanced multidimensional imaging systems with contributions from leading researchers in the field Multi-dimensional Imaging takes the reader from the introductory concepts through to the latest applications of these techniques. Split into 3 parts covering 3D image capture, processing, visualization and display, using 1) a Multi-View Approach and 2.) a Holographic Approach, followed by a 3rd part addressing other 3D systems approaches, applications and signal processing for advanced 3D imaging. This book describes recent developments, as well as the prospects and

  9. Dimensional analysis made simple

    International Nuclear Information System (INIS)

    Lira, Ignacio

    2013-01-01

    An inductive strategy is proposed for teaching dimensional analysis to second- or third-year students of physics, chemistry, or engineering. In this strategy, Buckingham's theorem is seen as a consequence and not as the starting point. In order to concentrate on the basics, the mathematics is kept as elementary as possible. Simple examples are suggested for classroom demonstrations of the power of the technique and others are put forward for homework or experimentation, but instructors are encouraged to produce examples of their own. (paper)

  10. Two-dimensional calculus

    CERN Document Server

    Osserman, Robert

    2011-01-01

    The basic component of several-variable calculus, two-dimensional calculus is vital to mastery of the broader field. This extensive treatment of the subject offers the advantage of a thorough integration of linear algebra and materials, which aids readers in the development of geometric intuition. An introductory chapter presents background information on vectors in the plane, plane curves, and functions of two variables. Subsequent chapters address differentiation, transformations, and integration. Each chapter concludes with problem sets, and answers to selected exercises appear at the end o

  11. Three-Dimensional Flows

    CERN Document Server

    Araujo, Vitor; Viana, Marcelo

    2010-01-01

    In this book, the authors present the elements of a general theory for flows on three-dimensional compact boundaryless manifolds, encompassing flows with equilibria accumulated by regular orbits. The book aims to provide a global perspective of this theory and make it easier for the reader to digest the growing literature on this subject. This is not the first book on the subject of dynamical systems, but there are distinct aspects which together make this book unique. Firstly, this book treats mostly continuous time dynamical systems, instead of its discrete counterpart, exhaustively treated

  12. Two dimensional simplicial paths

    International Nuclear Information System (INIS)

    Piso, M.I.

    1994-07-01

    Paths on the R 3 real Euclidean manifold are defined as 2-dimensional simplicial strips which are orbits of the action of a discrete one-parameter group. It is proven that there exists at least one embedding of R 3 in the free Z-module generated by S 2 (x 0 ). The speed is defined as the simplicial derivative of the path. If mass is attached to the simplex, the free Lagrangian is proportional to the width of the path. In the continuum limit, the relativistic form of the Lagrangian is recovered. (author). 7 refs

  13. Three dimensional system integration

    CERN Document Server

    Papanikolaou, Antonis; Radojcic, Riko

    2010-01-01

    Three-dimensional (3D) integrated circuit (IC) stacking is the next big step in electronic system integration. It enables packing more functionality, as well as integration of heterogeneous materials, devices, and signals, in the same space (volume). This results in consumer electronics (e.g., mobile, handheld devices) which can run more powerful applications, such as full-length movies and 3D games, with longer battery life. This technology is so promising that it is expected to be a mainstream technology a few years from now, less than 10-15 years from its original conception. To achieve thi

  14. High dimensional entanglement

    CSIR Research Space (South Africa)

    Mc

    2012-07-01

    Full Text Available stream_source_info McLaren_2012.pdf.txt stream_content_type text/plain stream_size 2190 Content-Encoding ISO-8859-1 stream_name McLaren_2012.pdf.txt Content-Type text/plain; charset=ISO-8859-1 High dimensional... entanglement M. McLAREN1,2, F.S. ROUX1 & A. FORBES1,2,3 1. CSIR National Laser Centre, PO Box 395, Pretoria 0001 2. School of Physics, University of the Stellenbosch, Private Bag X1, 7602, Matieland 3. School of Physics, University of Kwazulu...

  15. Dimensiones de la sostenibilidad

    OpenAIRE

    Usón Guardiola, Ezequiel

    2004-01-01

    Recientemente, las palabras sostenibilidad y desarrollo sostenible se han incorporado plenamente al vocabulario de muchos arquitectos, pero sólo en algunos casos se han convertido en una preocupación fundamental de su discurso arquitectónico. Es más, entre los arquitectos, tampoco se entiende muy bien la conexión que puede establecerse entre esta nueva sensibilidad y el proyecto arquitectónico, es decir, cómo pueden formalizarse y cuáles son las dimensiones de la sostenibilidad. Por ello y co...

  16. Dimensional crossover in fragmentation

    Science.gov (United States)

    Sotolongo-Costa, Oscar; Rodriguez, Arezky H.; Rodgers, G. J.

    2000-11-01

    Experiments in which thick clay plates and glass rods are fractured have revealed different behavior of fragment mass distribution function in the small and large fragment regions. In this paper we explain this behavior using non-extensive Tsallis statistics and show how the crossover between the two regions is caused by the change in the fragments’ dimensionality during the fracture process. We obtain a physical criterion for the position of this crossover and an expression for the change in the power-law exponent between the small and large fragment regions. These predictions are in good agreement with the experiments on thick clay plates.

  17. Mapping Earth's electromagnetic dimensionality

    Science.gov (United States)

    Love, J. J.; Kelbert, A.; Bedrosian, P.

    2017-12-01

    The form of a magnetotelluric impedance tensor, obtained for a given geographic site through simultaneous measurement of geomagnetic and geoelectric field variation, is affected by electrical conductivity structure beneath the measurement site. Building on existing methods for characterizing the symmetry of magnetotelluric impedance tensors, a simple scalar measure is developed for measuring the (frequency dependent) proportion of the impedance tensor that is not just a one-dimensional (1D) function of depth ("non-1D-ness"). These measures are applied to nearly 1000 impedance tensors obtained during magnetotelluric surveys, those for the continental United States and obtained principally through the National Science Foundation's EarthScope project. Across geomagnetic/geoelectric variational periods ranging from 30 s to 3,000 s, corresponding to crustal and upper mantle depths, it is shown that local Earth structure is very often not simply 1D-depth-dependent - often less than 50% of magnetotelluric impedance is 1D. For selected variational frequencies, non-1D-ness is mapped and the relationship between electromagnetic dimensionality and known geological and tectonic structures is discussed. The importance of using realistic surface impedances to accurately evaluate magnetic-storm geoelectric hazards is emphasized.

  18. Two-dimensional ferroelectrics

    Energy Technology Data Exchange (ETDEWEB)

    Blinov, L M; Fridkin, Vladimir M; Palto, Sergei P [A.V. Shubnikov Institute of Crystallography, Russian Academy of Sciences, Moscow, Russian Federaion (Russian Federation); Bune, A V; Dowben, P A; Ducharme, Stephen [Department of Physics and Astronomy, Behlen Laboratory of Physics, Center for Materials Research and Analysis, University of Nebraska-Linkoln, Linkoln, NE (United States)

    2000-03-31

    The investigation of the finite-size effect in ferroelectric crystals and films has been limited by the experimental conditions. The smallest demonstrated ferroelectric crystals had a diameter of {approx}200 A and the thinnest ferroelectric films were {approx}200 A thick, macroscopic sizes on an atomic scale. Langmuir-Blodgett deposition of films one monolayer at a time has produced high quality ferroelectric films as thin as 10 A, made from polyvinylidene fluoride and its copolymers. These ultrathin films permitted the ultimate investigation of finite-size effects on the atomic thickness scale. Langmuir-Blodgett films also revealed the fundamental two-dimensional character of ferroelectricity in these materials by demonstrating that there is no so-called critical thickness; films as thin as two monolayers (1 nm) are ferroelectric, with a transition temperature near that of the bulk material. The films exhibit all the main properties of ferroelectricity with a first-order ferroelectric-paraelectric phase transition: polarization hysteresis (switching); the jump in spontaneous polarization at the phase transition temperature; thermal hysteresis in the polarization; the increase in the transition temperature with applied field; double hysteresis above the phase transition temperature; and the existence of the ferroelectric critical point. The films also exhibit a new phase transition associated with the two-dimensional layers. (reviews of topical problems)

  19. The dimensional reduction in a multi-dimensional cosmology

    International Nuclear Information System (INIS)

    Demianski, M.; Golda, Z.A.; Heller, M.; Szydlowski, M.

    1986-01-01

    Einstein's field equations are solved for the case of the eleven-dimensional vacuum spacetime which is the product R x Bianchi V x T 7 , where T 7 is a seven-dimensional torus. Among all possible solutions, the authors identify those in which the macroscopic space expands and the microscopic space contracts to a finite size. The solutions with this property are 'typical' within the considered class. They implement the idea of a purely dynamical dimensional reduction. (author)

  20. ONE-DIMENSIONAL AND TWO-DIMENSIONAL LEADERSHIP STYLES

    Directory of Open Access Journals (Sweden)

    Nikola Stefanović

    2007-06-01

    Full Text Available In order to motivate their group members to perform certain tasks, leaders use different leadership styles. These styles are based on leaders' backgrounds, knowledge, values, experiences, and expectations. The one-dimensional styles, used by many world leaders, are autocratic and democratic styles. These styles lie on the two opposite sides of the leadership spectrum. In order to precisely define the leadership styles on the spectrum between the autocratic leadership style and the democratic leadership style, leadership theory researchers use two dimensional matrices. The two-dimensional matrices define leadership styles on the basis of different parameters. By using these parameters, one can identify two-dimensional styles.

  1. Quantum dynamics of the reaction H((2)S) + HeH(+)(X(1)Σ(+)) → H2(+)(X(2)Σg(+)) + He((1)S) from cold to hyperthermal energies: time-dependent wavepacket study and comparison with time-independent calculations.

    Science.gov (United States)

    Gamallo, Pablo; Akpinar, Sinan; Defazio, Paolo; Petrongolo, Carlo

    2014-08-21

    We present the adiabatic quantum dynamics of the proton-transfer reaction H((2)S) + HeH(+)(X(1)Σ(+)) → H2(+)(X(2)Σg(+)) + He((1)S) on the HeH2(+) X̃(2)Σ(+) RMRCI6 (M = 6) PES of C. N. Ramachandran et al. ( Chem. Phys. Lett. 2009, 469, 26). We consider the HeH(+) molecule in the ground vibrational–rotational state and obtain initial-state-resolved reaction probabilities and the ground-state cross section σ0 and rate constant k0 by propagating time-dependent, coupled-channel, real wavepackets (RWPs) and performing a flux analysis. Three different wavepackets are propagated to describe the wide range of energies explored, from cold (0.0001 meV) to hyperthermal (1000 meV) collision energies, and in a temperature range from 0.01 to 2000 K. We compare our time-dependent results with the time-independent ones by D. De Fazio and S. Bovino et al., where De Fazio carried out benchmark coupled-channel calculations whereas Bovino et al. employed the negative imaginary potential and the centrifugal-sudden approximations. The RWP cross section is in good agreement with that by De Fazio, except at the lowest collision energies below ∼0.01 meV, where the former is larger than the latter. However, neither the RWP and De Fazio results possess the huge resonance in probability and cross section at 0.01 meV, found by Bovino et al., who also obtained a too low σ0 at high energies. Therefore, the RWP and De Fazio rate constants compare quite well, whereas that by Bovino et al. is in general lower.

  2. Dimensional analysis in field theory

    International Nuclear Information System (INIS)

    Stevenson, P.M.

    1981-01-01

    Dimensional Transmutation (the breakdown of scale invariance in field theories) is reconciled with the commonsense notions of Dimensional Analysis. This makes possible a discussion of the meaning of the Renormalisation Group equations, completely divorced from the technicalities of renormalisation. As illustrations, I describe some very farmiliar QCD results in these terms

  3. On four dimensional mirror symmetry

    International Nuclear Information System (INIS)

    Losev, A.; Nekrasov, N.; Shatashvili, S.

    2000-01-01

    A conjecture relating instanton calculus in four dimensional supersymmetric theories and the deformation theory of Lagrangian submanifolds in C 2r invariant under a (subgroup of) Sp(2r,Z) is formulated. This is a four dimensional counterpart of the mirror symmetry of topological strings (relating Gromov-Witten invariants and generalized variations of Hodge structure). (orig.)

  4. Low-dimensional molecular metals

    CERN Document Server

    Toyota, Naoki; Muller, Jens

    2007-01-01

    Assimilating research in the field of low-dimensional metals, this monograph provides an overview of the status of research on quasi-one- and two-dimensional molecular metals, describing normal-state properties, magnetic field effects, superconductivity, and the phenomena of interacting p and d electrons.

  5. Two-dimensional metamaterial optics

    International Nuclear Information System (INIS)

    Smolyaninov, I I

    2010-01-01

    While three-dimensional photonic metamaterials are difficult to fabricate, many new concepts and ideas in the metamaterial optics can be realized in two spatial dimensions using planar optics of surface plasmon polaritons. In this paper we review recent progress in this direction. Two-dimensional photonic crystals, hyperbolic metamaterials, and plasmonic focusing devices are demonstrated and used in novel microscopy and waveguiding schemes

  6. Higher dimensional loop quantum cosmology

    International Nuclear Information System (INIS)

    Zhang, Xiangdong

    2016-01-01

    Loop quantum cosmology (LQC) is the symmetric sector of loop quantum gravity. In this paper, we generalize the structure of loop quantum cosmology to the theories with arbitrary spacetime dimensions. The isotropic and homogeneous cosmological model in n + 1 dimensions is quantized by the loop quantization method. Interestingly, we find that the underlying quantum theories are divided into two qualitatively different sectors according to spacetime dimensions. The effective Hamiltonian and modified dynamical equations of n + 1 dimensional LQC are obtained. Moreover, our results indicate that the classical big bang singularity is resolved in arbitrary spacetime dimensions by a quantum bounce. We also briefly discuss the similarities and differences between the n + 1 dimensional model and the 3 + 1 dimensional one. Our model serves as a first example of higher dimensional loop quantum cosmology and offers the possibility to investigate quantum gravity effects in higher dimensional cosmology. (orig.)

  7. 17 CFR 240.15d-10 - Transition reports.

    Science.gov (United States)

    2010-04-01

    ... information or trends reflected, an assessment of the comparability of the data, and a representation as to... the fiscal year. (h) The provisions of this rule shall not apply to investment companies required to file reports pursuant to Rule 30b1-1 (§ 270.30b1-1 of this chapter) under the Investment Company Act of...

  8. 17 CFR 240.15d-15 - Controls and procedures.

    Science.gov (United States)

    2010-04-01

    ... Investment Company Act of 1940 (15 U.S.C. 80a-4(2)), must maintain disclosure controls and procedures (as... year or had filed an annual report with the Commission for the prior fiscal year, internal control over... the issuer's internal control over financial reporting. The framework on which management's evaluation...

  9. Three dimensional energy profile:

    International Nuclear Information System (INIS)

    Kowsari, Reza; Zerriffi, Hisham

    2011-01-01

    The provision of adequate, reliable, and affordable energy has been considered as a cornerstone of development. More than one-third of the world's population has a very limited access to modern energy services and suffers from its various negative consequences. Researchers have been exploring various dimensions of household energy use in order to design strategies to provide secure access to modern energy services. However, despite more than three decades of effort, our understanding of household energy use patterns is very limited, particularly in the context of rural regions of the developing world. Through this paper, the past and the current trends in the field of energy analysis are investigated. The literature on rural energy and energy transition in developing world has been explored and the factors affecting households' decisions on energy use are listed. The and the factors affecting households' decisions on energy use are listed. The gaps identified in the literature on rural household energy analysis provide a basis for developing an alternative model that can create a more realistic view of household energy use. The three dimensional energy profile is presented as a new conceptual model for assessment of household energy use. This framework acts as a basis for building new theoretical and empirical models of rural household energy use. - Highlights: ► Reviews literature on household energy, energy transitions and decision-making in developing countries. ► Identifies gaps in rural household energy analysis and develops a new conceptual framework. ► The 3-d energy profile provides a holistic view of household energy system characteristics. ► Illustrates the use of the framework for understanding household energy transitions.

  10. Three-dimensional echocardiography

    International Nuclear Information System (INIS)

    Buck, Thomas

    2011-01-01

    Presents tips and tricks for beginners and experts Provides educational material for 3D training courses Features comprehensively illustrated cases Includes an accompanying DVD with video clips of all sample cases Three-dimensional echocardiography is the most recent fundamental advancement in echocardiography. Since real-time 3D echocardiography became commercially available in 2002, it has rapidly been accepted in echo labs worldwide. This book covers all clinically relevant aspects of this fascinating new technology, including a comprehensive explanation of its basic principles, practical aspects of clinical application, and detailed descriptions of specific uses in the broad spectrum of clinically important heart disease. The book was written by a group of well-recognized international experts in the field, who have not only been involved in the scientific and clinical evolution of 3D echocardiography since its inception but are also intensively involved in expert training courses. As a result, the clear focus of this book is on the practical application of 3D echocardiography in daily clinical routine with tips and tricks for both beginners and experts, accompanied by more than 150 case examples comprehensively illustrated in more than 800 images and more than 500 videos provided on a DVD. In addition to an in-depth review of the most recent literature on real-time 3D echocardiography, this book represents an invaluable reference work for beginners and expert users of 3D echocardiography. - Tips and tricks for beginners and experts - Educational material for 3D training courses - Comprehensively illustrated cases - DVD with video clips of all sample cases.

  11. Evaluación de la gestión de los casos de incapacidad temporal por contingencia común de más de 15 días en Cataluña Evaluation of the management of nonwork-related sick leave lasting more than 15 days in Catalonia (Spain)

    OpenAIRE

    Fernando G. Benavides; Isabel Torá; José Miguel Martínez; Josefina Jardí; Rafael Manzanera; Constança Alberti; Jordi Delclós

    2010-01-01

    Objetivos: Comparar la duración de los casos de incapacidad temporal por contingencia común gestionados por las mutuas con los gestionados por el Instituto Nacional de la Seguridad Social (INSS). Métodos: Cohorte retrospectiva de 289.686 casos de incapacidad de más de 15 días de duración iniciados en 2005 tras su certificación por un médico de primaria en Cataluña (156.676 gestionados por el INSS), registrados en el Institut Català d'Avaluacions Mèdiques, y seguidos hasta su alta. La duración...

  12. dimensional Jaulent–Miodek equations

    Indian Academy of Sciences (India)

    (2+1)-dimensional Jaulent–Miodek equation; the first integral method; kinks; ... and effective method for solving nonlinear partial differential equations which can ... of the method employed and exact kink and soliton solutions are constructed ...

  13. Weakly infinite-dimensional spaces

    International Nuclear Information System (INIS)

    Fedorchuk, Vitalii V

    2007-01-01

    In this survey article two new classes of spaces are considered: m-C-spaces and w-m-C-spaces, m=2,3,...,∞. They are intermediate between the class of weakly infinite-dimensional spaces in the Alexandroff sense and the class of C-spaces. The classes of 2-C-spaces and w-2-C-spaces coincide with the class of weakly infinite-dimensional spaces, while the compact ∞-C-spaces are exactly the C-compact spaces of Haver. The main results of the theory of weakly infinite-dimensional spaces, including classification via transfinite Lebesgue dimensions and Luzin-Sierpinsky indices, extend to these new classes of spaces. Weak m-C-spaces are characterised by means of essential maps to Henderson's m-compacta. The existence of hereditarily m-strongly infinite-dimensional spaces is proved.

  14. Physical model of dimensional regularization

    Energy Technology Data Exchange (ETDEWEB)

    Schonfeld, Jonathan F.

    2016-12-15

    We explicitly construct fractals of dimension 4-ε on which dimensional regularization approximates scalar-field-only quantum-field theory amplitudes. The construction does not require fractals to be Lorentz-invariant in any sense, and we argue that there probably is no Lorentz-invariant fractal of dimension greater than 2. We derive dimensional regularization's power-law screening first for fractals obtained by removing voids from 3-dimensional Euclidean space. The derivation applies techniques from elementary dielectric theory. Surprisingly, fractal geometry by itself does not guarantee the appropriate power-law behavior; boundary conditions at fractal voids also play an important role. We then extend the derivation to 4-dimensional Minkowski space. We comment on generalization to non-scalar fields, and speculate about implications for quantum gravity. (orig.)

  15. Three-dimensional biomedical imaging

    International Nuclear Information System (INIS)

    Robb, R.A.

    1985-01-01

    Scientists in biomedical imaging provide researchers, physicians, and academicians with an understanding of the fundamental theories and practical applications of three-dimensional biomedical imaging methodologies. Succinct descriptions of each imaging modality are supported by numerous diagrams and illustrations which clarify important concepts and demonstrate system performance in a variety of applications. Comparison of the different functional attributes, relative advantages and limitations, complementary capabilities, and future directions of three-dimensional biomedical imaging modalities are given. Volume 1: Introductions to Three-Dimensional Biomedical Imaging Photoelectronic-Digital Imaging for Diagnostic Radiology. X-Ray Computed Tomography - Basic Principles. X-Ray Computed Tomography - Implementation and Applications. X-Ray Computed Tomography: Advanced Systems and Applications in Biomedical Research and Diagnosis. Volume II: Single Photon Emission Computed Tomography. Position Emission Tomography (PET). Computerized Ultrasound Tomography. Fundamentals of NMR Imaging. Display of Multi-Dimensional Biomedical Image Information. Summary and Prognostications

  16. Fermion masses from dimensional reduction

    International Nuclear Information System (INIS)

    Kapetanakis, D.; Zoupanos, G.

    1990-01-01

    We consider the fermion masses in gauge theories obtained from ten dimensions through dimensional reduction on coset spaces. We calculate the general fermion mass matrix and we apply the mass formula in illustrative examples. (orig.)

  17. Fermion masses from dimensional reduction

    Energy Technology Data Exchange (ETDEWEB)

    Kapetanakis, D. (National Research Centre for the Physical Sciences Democritos, Athens (Greece)); Zoupanos, G. (European Organization for Nuclear Research, Geneva (Switzerland))

    1990-10-11

    We consider the fermion masses in gauge theories obtained from ten dimensions through dimensional reduction on coset spaces. We calculate the general fermion mass matrix and we apply the mass formula in illustrative examples. (orig.).

  18. Myth and One-Dimensionality

    Directory of Open Access Journals (Sweden)

    William Hansen

    2017-12-01

    Full Text Available A striking difference between the folk-narrative genres of legend and folktale is how the human characters respond to supernatural, otherworldly, or uncanny beings such as ghosts, gods, dwarves, giants, trolls, talking animals, witches, and fairies. In legend the human actors respond with fear and awe, whereas in folktale they treat such beings as if they were ordinary and unremarkable. Since folktale humans treat all characters as belonging to a single realm, folklorists have described the world of the folktale as one-dimensional, in contrast to the two-dimensionality of the legend. The present investigation examines dimensionality in the third major genre of folk narrative: myth. Using the Greek and Hebrew myths of primordial paradise as sample narratives, the present essay finds—surprisingly—that the humans in these stories respond to the otherworldly one-dimensionally, as folktale characters do, and suggests an explanation for their behavior that is peculiar to the world of myth.

  19. A Four-Dimensional Approach

    African Journals Online (AJOL)

    ... of East Asian Students in English-speaking Countries: A Four-Dimensional ... country's language greatly shapes all aspects of the student's international education ... Taking this ecological approach will help clearly define the role that home ...

  20. Radiation Damage and Dimensional Changes

    International Nuclear Information System (INIS)

    El-Barbary, A.A.; Lebda, H.I.; Kamel, M.A.

    2009-01-01

    The dimensional changes have been modeled in order to be accommodated in the reactor design. This study has major implications for the interpretation of damage in carbon based nuclear fission and fusion plant materials. Radiation damage of graphite leads to self-interstitials and vacancies defects. The aggregation of these defects causes dimensional changes. Vacancies aggregate into lines and disks which heal and contract the basal planes. Interstitials aggregate into interlayer disks which expand the dimension

  1. A full-dimensional multilayer multiconfiguration time-dependent Hartree study on the ultraviolet absorption spectrum of formaldehyde oxide

    International Nuclear Information System (INIS)

    Meng, Qingyong; Meyer, Hans-Dieter

    2014-01-01

    Employing the multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method in conjunction with the multistate multimode vibronic coupling Hamiltonian (MMVCH) model, we perform a full dimensional (9D) quantum dynamical study on the simplest Criegee intermediate, formaldehyde oxide, in five lower-lying singlet electronic states. The ultraviolet (UV) spectrum is then simulated by a Fourier transform of the auto-correlation function. The MMVCH model is built based on extensive MRCI(8e,8o)/aug-cc-pVTZ calculations. To ensure a fast convergence of the final calculations, a large number of ML-MCTDH test calculations is performed to find an appropriate multilayer separations (ML-trees) of the ML-MCTDH nuclear wave functions, and the dynamical calculations are carefully checked to ensure that the calculations are well converged. To compare the computational efficiency, standard MCTDH simulations using the same Hamiltonian are also performed. A comparison of the MCTDH and ML-MCTDH calculations shows that even for the present not-too-large system (9D here) the ML-MCTDH calculations can save a considerable amount of computational resources while producing identical spectra as the MCTDH calculations. Furthermore, the present theoretical B ~ 1 A ′ ←X ~ 1 A ′ UV spectral band and the corresponding experimental measurements [J. M. Beames, F. Liu, L. Lu, and M. I. Lester, J. Am. Chem. Soc. 134, 20045–20048 (2012); L. Sheps, J. Phys. Chem. Lett. 4, 4201–4205 (2013); W.-L. Ting, Y.-H. Chen, W. Chao, M. C. Smith, and J. J.-M. Lin, Phys. Chem. Chem. Phys. 16, 10438–10443 (2014)] are discussed. To the best of our knowledge, this is the first theoretical UV spectrum simulated for this molecule including nuclear motion beyond an adiabatic harmonic approximation

  2. Quantum dynamics of a particle in a tracking chamber

    International Nuclear Information System (INIS)

    Figari, Rodolfo; INFN, Napoli; Teta, Alessandro

    2014-01-01

    In the original formulation of quantum mechanics the existence of a precise border between a microscopic world, governed by quantum mechanics, and a macroscopic world, described by classical mechanics was assumed. Modern theoretical and experimental physics has moved that border several times, carefully investigating its definition and making available to observation larger and larger quantum systems. The present book examines a paradigmatic case of the transition from quantum to classical behavior: A quantum particle is revealed in a tracking chamber as a trajectory obeying the laws of classical mechanics. The authors provide here a purely quantum-mechanical description of this behavior, thus helping to illuminate the nature of the border between the quantum and the classical.

  3. Quantum Dynamical Behaviour in Complex Systems - A Semiclassical Approach

    Energy Technology Data Exchange (ETDEWEB)

    Ananth, Nandini [Univ. of California, Berkeley, CA (United States)

    2008-01-01

    One of the biggest challenges in Chemical Dynamics is describing the behavior of complex systems accurately. Classical MD simulations have evolved to a point where calculations involving thousands of atoms are routinely carried out. Capturing coherence, tunneling and other such quantum effects for these systems, however, has proven considerably harder. Semiclassical methods such as the Initial Value Representation (SC-IVR) provide a practical way to include quantum effects while still utilizing only classical trajectory information. For smaller systems, this method has been proven to be most effective, encouraging the hope that it can be extended to deal with a large number of degrees of freedom. Several variations upon the original idea of the SCIVR have been developed to help make these larger calculations more tractable; these range from the simplest, classical limit form, the Linearized IVR (LSC-IVR) to the quantum limit form, the Exact Forward-Backward version (EFB-IVR). In this thesis a method to tune between these limits is described which allows us to choose exactly which degrees of freedom we wish to treat in a more quantum mechanical fashion and to what extent. This formulation is called the Tuning IVR (TIVR). We further describe methodology being developed to evaluate the prefactor term that appears in the IVR formalism. The regular prefactor is composed of the Monodromy matrices (jacobians of the transformation from initial to finial coordinates and momenta) which are time evolved using the Hessian. Standard MD simulations require the potential surfaces and their gradients, but very rarely is there any information on the second derivative. We would like to be able to carry out the SC-IVR calculation without this information too. With this in mind a finite difference scheme to obtain the Hessian on-the-fly is proposed. Wealso apply the IVR formalism to a few problems of current interest. A method to obtain energy eigenvalues accurately for complex systems is described. We proposed the use of a semiclassical correction term to a preliminary quantum calculation using, for instance, a variational approach. This allows us to increase the accuracy significantly. Modeling Nonadiabatic dynamics has always been a challenge to classical simulations because the multi-state nature of the dynamics cannot be described accurately by the time evolution on a single average surface, as is the classical approach. We show that using the Meyer-Miller-Stock-Thoss (MMST) representation of the exact vibronic Hamiltonian in combination with the IVR allows us to accurately describe dynamics where the non Born-Oppenheimer regime. One final problem that we address is that of extending this method to the long time regime. We propose the use of a time independent sampling function in the Monte Carlo integration over the phase space of initial trajectory conditions. This allows us to better choose the regions of importance at the various points in time; by using more trajectories in the important regions, we show that the integration can be converged much easier. An algorithm based loosely on the methods of Diffusion Monte Carlo is developed that allows us to carry out this time dependent sampling in a most efficient manner.

  4. Quantum dynamics of the driven and dissipative Rabi model

    Science.gov (United States)

    Henriet, Loïc; Ristivojevic, Zoran; Orth, Peter P.; Le Hur, Karyn

    2014-08-01

    The Rabi model considers a two-level system (or spin 1/2) coupled to a quantized harmonic oscillator and describes the simplest interaction between matter and light. The recent experimental progress in solid-state circuit quantum electrodynamics has engendered theoretical efforts to quantitatively describe the mathematical and physical aspects of the light-matter interaction beyond the rotating-wave approximation. We develop a stochastic Schrödinger equation approach which enables us to access the strong-coupling limit of the Rabi model and study the effects of dissipation and ac drive in an exact manner. We include the effect of Ohmic noise on the non-Markovian spin dynamics, resulting in Kondo-type correlations, as well as cavity losses. We compute the time evolution of spin variables in various conditions. As a consideration for future work, we discuss the possibility of reaching a steady state with one polariton in realistic experimental conditions.

  5. Quantum dynamics of spin qubits in optically active quantum dots

    International Nuclear Information System (INIS)

    Bechtold, Alexander

    2017-01-01

    The control of solid-state qubits for quantum information processing requires a detailed understanding of the mechanisms responsible for decoherence. During the past decade a considerable progress has been achieved for describing the qubit dynamics in relatively strong external magnetic fields. However, until now it has been impossible to experimentally test many theoretical predictions at very low magnetic fields and uncover mechanisms associated with reduced coherence times of spin qubits in solids. In particular, the role of the quadrupolar coupling of nuclear spins in this process is to date poorly understood. In the framework of this thesis, a spin memory device is utilized to optically prepare individual electron spin qubits in a single InGaAs quantum dot. After storages over timescales extending into the microsecond range the qubit��s state is read out to monitor the impact of the environment on it the spin dynamics. By performing such pump-probe experiments, the dominant electron spin decoherence mechanisms are identified in a wide range of external magnetic fields (0-5 T) and lattice temperatures of ∝10 K. The results presented in this thesis show that, without application of external magnetic fields the initially orientated electron spin rapidly loses its polarization due to precession around the fluctuating Overhauser field with a dispersion of 10.5 mT. The inhomogeneous dephasing time associated with these hyperfine mediated dynamics is of the order of T * 2 =2 ns. Over longer timescales, an unexpected stage of central spin relaxation is observed, namely the appearance of a second feature in the relaxation curve around T Q =750 ns. By comparison with theoretical simulations, this additional decoherence channel is shown to arise from coherent dynamics in the nuclear spin bath itself. Such coherent dynamics are induced by a quadrupolar coupling of the nuclear spins to the strain induced electric field gradients in the quantum dot. These processes lead to a relatively fast but incomplete nonmonotonic relaxation of the qubit's spin polarization. This observation changes our understanding of spin qubit decoherence mechanisms, as quadrupolar effects were already known but as yet not associated to an additional source of decoherence. It is found that the strength of the quadrupolar coupling is approximately twice as large as the hyperfine coupling. At microsecond timescales and low external magnetic fields (<1.5 T), the combined effect of quadrupolar coherent nuclear spin dynamics and incoherent hyperfine interaction induce a stage with monotonic relaxation and with almost complete loss of coherence, in contrast to earlier theoretical predictions where quadrupolar effects were not taken into account. By applying an in-plane magnetic field we also implemented an optical phase gate that enabled the coherent control of the qubit's state. This is used to perform spin echo experiments in order to remove the inhomogeneous dephasing and uncover the electron spin's intrinsic coherence time T 2 . By performing such spin echo measurements, it is found that at low magnetic fields the intrinsic coherence time of the electron is drastically reduced due to combined effects of hyperfine and quadrupolar interactions, reducing T 2 to a value of √(T * 2 T Q ) corresponding to ∝40 ns. Only by applying a magnetic field exceeding the quadrupolar interaction strength in the quantum dot (>1.5 T) these effects could be removed and an increase of the coherence time to T 2 =1.3 μs is observed. A long spin echo lifetime T 2 , however, does not necessarily predicate the ability of quantum dot spin qubits to process quantum information. Spin echo is a classical effect in the sense that it can be fully explained in terms of a classical measurement and the behavior of classical spins changing the axis of precession under the action of a properly applied control pulse. How long such an electron spin qubit can store quantum information while showing quantum effects is a question that can only be explained within the framework of a quantum measurement theory. This was explored via studies of spin-correlators beyond 2 nd order. Such measurements of higher order correlators were also conducted to directly determine both, ensemble (T * 2 ) and quantum decoherence times (T 2 ), using only repeated projective measurements and without the need to coherently control the state of the qubit. It is observed that quantum correlations are maintained up to microsecond time intervals, during which a quantum dot spin qubit can potentially perform many thousands of quantum logic operations. Furthermore, it is demonstrated that the 3 rd order spin-correlator is sensitive to pure quantum effects that cannot be explained fully within a classical framework. Experimentally, this was done by demonstrating violations of Leggett-Garg type inequalities excluding hidden variable theories of quantum mechanics.

  6. Quantum dynamics of a two-atom-qubit system

    International Nuclear Information System (INIS)

    Nguyen Van Hieu; Nguyen Bich Ha; Le Thi Ha Linh

    2009-01-01

    A physical model of the quantum information exchange between two qubits is studied theoretically. The qubits are two identical two-level atoms, the physical mechanism of the quantum information exchange is the mutual dependence of the reduced density matrices of two qubits generated by their couplings with a multimode radiation field. The Lehmberg-Agarwal master equation is exactly solved. The explicit form of the mutual dependence of two reduced density matrices is established. The application to study the entanglement of two qubits is discussed.

  7. Smoothing of Gaussian quantum dynamics for force detection

    Science.gov (United States)

    Huang, Zhishen; Sarovar, Mohan

    2018-04-01

    Building on recent work by Gammelmark et al. [Phys. Rev. Lett. 111, 160401 (2013), 10.1103/PhysRevLett.111.160401] we develop a formalism for prediction and retrodiction of Gaussian quantum systems undergoing continuous measurements. We apply the resulting formalism to study the advantage of incorporating a full measurement record and retrodiction for impulselike force detection and accelerometry. We find that using retrodiction can only increase accuracy in a limited parameter regime, but that the reduction in estimation noise that it yields results in better detection of impulselike forces.

  8. An Axiomatic, Unified Representation of Biosystems and Quantum Dynamics

    CERN Document Server

    Baianu, I

    2004-01-01

    An axiomatic representation of system dynamics is introduced in terms of categories, functors, organismal supercategories, limits and colimits of diagrams. Specific examples are considered in Complex Systems Biology, such as ribosome biogenesis and Hormonal Control in human subjects. "Fuzzy" Relational Structures are also proposed for flexible representations of biological system dynamics and organization.

  9. Quantum dynamics via a time propagator in Wigner's phase space

    DEFF Research Database (Denmark)

    Grønager, Michael; Henriksen, Niels Engholm

    1995-01-01

    We derive an expression for a short-time phase space propagator. We use it in a new propagation scheme and demonstrate that it works for a Morse potential. The propagation scheme is used to propagate classical distributions which do not obey the Heisenberg uncertainty principle. It is shown that ...... as a part of the sampling function. ©1995 American Institute of Physics....

  10. Quantum dynamical time evolutions as stochastic flows on phase space

    International Nuclear Information System (INIS)

    Combe, P.; Rodriguez, R.; Guerra, F.; Sirigue, M.; Sirigue-Collin, M.

    1984-01-01

    We are mainly interested in describing the time development of the Wigner functions by means of stochastic processes. In the second section we recall the main properties of the Wigner functions as well as those of their Fourier transform. In the next one we derive the evolution equation of these functions for a class of Hamiltonians and we give a probabilistic expression for the solution of these equations by means of a stochastic flow in phase space which reminds of the classical flows. In the last section we remark that the previously defined flow can be extended to the bounded continuous functions on phase space and that this flow conserves the cone generated by the Wigner functions. (orig./HSI)

  11. Laser coherent control of quantum dynamics at the CSIR: NLC

    CSIR Research Space (South Africa)

    Botha, L

    2010-09-01

    Full Text Available reaction channels. The principle used is controlled interference of the quantum wave functions via time domain shaped ultra-short pulses. The time/frequency product of a pulse is a constant, determined by Heisenberg’s uncertainty principle, therefore, a...

  12. Control of quantum dynamics: The dream is alive

    International Nuclear Information System (INIS)

    Rabitz, H.

    1995-01-01

    In atomic and molecular physics, a long sought-after dream has been the use of optical fields to steer wavepackets into desired states. The inherent mechanism of such control consists of manipulating quantum mechanical constructive and destructive interferences. Finding the proper control fields is a problem of design, best expressed in terms of control theory. An overview of the latest developments in this field will be given, along with an indication of where the subject is heading. copyright 1995 American Institute of Physics

  13. Quantum dynamics of crystals of molecular magnets inside microwave resonators

    Energy Technology Data Exchange (ETDEWEB)

    Amigo, R.; Tejada, J.; Chudnovsky, E.M.; Hernandez, J.M.; Garcia-Santiago, A. E-mail: antonio@ubxlab.comtoni@ubxlab.com

    2004-05-01

    It is shown that crystals of molecular nanomagnets exhibit enhanced magnetic relaxation when placed inside a resonant cavity. Strong dependence of the magnetization curve on the geometry of the cavity has been observed, providing evidence of the coherent microwave radiation by the crystals. These observations open the possibility of building a nanomagnetic microwave laser pumped by the magnetic field.

  14. Quantum dynamics of crystals of molecular magnets inside microwave resonators

    International Nuclear Information System (INIS)

    Amigo, R.; Tejada, J.; Chudnovsky, E.M.; Hernandez, J.M.; Garcia-Santiago, A.

    2004-01-01

    It is shown that crystals of molecular nanomagnets exhibit enhanced magnetic relaxation when placed inside a resonant cavity. Strong dependence of the magnetization curve on the geometry of the cavity has been observed, providing evidence of the coherent microwave radiation by the crystals. These observations open the possibility of building a nanomagnetic microwave laser pumped by the magnetic field

  15. Quantum dynamics of relativistic bosons through nonminimal vector square potentials

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, Luiz P. de, E-mail: oliveira.phys@gmail.com

    2016-09-15

    The dynamics of relativistic bosons (scalar and vectorial) through nonminimal vector square (well and barrier) potentials is studied in the Duffin–Kemmer–Petiau (DKP) formalism. We show that the problem can be mapped in effective Schrödinger equations for a component of the DKP spinor. An oscillatory transmission coefficient is found and there is total reflection. Additionally, the energy spectrum of bound states is obtained and reveals the Schiff–Snyder–Weinberg effect, for specific conditions the potential lodges bound states of particles and antiparticles. - Highlights: • DKP bosons in a nonminimal vector square potential are studied. • Spin zero and spin one bosons have the same results. • The Schiff–Snyder–Weinberg effect is observed.

  16. Quantum dynamics in nanoscale magnets in dissipative environments

    NARCIS (Netherlands)

    Miyashita, S; Saito, K; Kobayashi, H.; de Raedt, H.A.

    2000-01-01

    In discrete energy structure of nanoscale magnets, nonadiabatic transitions at avoided level crossings lead to fundamental processes of dynamics of magnetizations. The thermal environment causes dissipative effects on these processes. In this paper we review the features of the nonadiabatic

  17. Proof of Jacobi identity in generalized quantum dynamics

    International Nuclear Information System (INIS)

    Adler, S.L.; Bhanot, G.V.; Weckel, J.D.

    1994-01-01

    It is proven that the Jacobi identity for the generalized Poisson bracket is satisfied in the generalization of Heisenberg picture quantum mechanics recently proposed by one of the authors. The identity holds for any combination of fermionic and bosonic fields, and requires no assumptions about their mutual commutativity

  18. The quantum dynamics of electronically nonadiabatic chemical reactions

    Science.gov (United States)

    Truhlar, Donald G.

    1993-01-01

    Considerable progress was achieved on the quantum mechanical treatment of electronically nonadiabatic collisions involving energy transfer and chemical reaction in the collision of an electronically excited atom with a molecule. In the first step, a new diabatic representation for the coupled potential energy surfaces was created. A two-state diabatic representation was developed which was designed to realistically reproduce the two lowest adiabatic states of the valence bond model and also to have the following three desirable features: (1) it is more economical to evaluate; (2) it is more portable; and (3) all spline fits are replaced by analytic functions. The new representation consists of a set of two coupled diabatic potential energy surfaces plus a coupling surface. It is suitable for dynamics calculations on both the electronic quenching and reaction processes in collisions of Na(3p2p) with H2. The new two-state representation was obtained by a three-step process from a modified eight-state diatomics-in-molecules (DIM) representation of Blais. The second step required the development of new dynamical methods. A formalism was developed for treating reactions with very general basis functions including electronically excited states. Our formalism is based on the generalized Newton, scattered wave, and outgoing wave variational principles that were used previously for reactive collisions on a single potential energy surface, and it incorporates three new features: (1) the basis functions include electronic degrees of freedom, as required to treat reactions involving electronic excitation and two or more coupled potential energy surfaces; (2) the primitive electronic basis is assumed to be diabatic, and it is not assumed that it diagonalizes the electronic Hamiltonian even asymptotically; and (3) contracted basis functions for vibrational-rotational-orbital degrees of freedom are included in a very general way, similar to previous prescriptions for locally adiabatic functions in various quantum scattering algorithms.

  19. Discrete ergodic Jacobi matrices: Spectral properties and Quantum dynamical bounds

    OpenAIRE

    Han, Rui

    2017-01-01

    In this thesis we study discrete quasiperiodic Jacobi operators as well as ergodic operators driven by more general zero topological entropy dynamics. Such operators are deeply connected to physics (quantum Hall effect and graphene) and have enjoyed great attention from mathematics (e.g. several of Simon’s problems). The thesis has two main themes. First, to study spectral properties of quasiperiodic Jacobi matrices, in particular when off-diagonal sampling function has non-zero winding numbe...

  20. Classical and quantum dynamics in an inverse square potential

    International Nuclear Information System (INIS)

    Guillaumín-España, Elisa; Núñez-Yépez, H. N.; Salas-Brito, A. L.

    2014-01-01

    The classical motion of a particle in a 3D inverse square potential with negative energy, E, is shown to be geodesic, i.e., equivalent to the particle's free motion on a non-compact phase space manifold irrespective of the sign of the coupling constant. We thus establish that all its classical orbits with E < 0 are unbounded. To analyse the corresponding quantum problem, the Schrödinger equation is solved in momentum space. No discrete energy levels exist in the unrenormalized case and the system shows a complete “fall-to-the-center” with an energy spectrum unbounded by below. Such behavior corresponds to the non-existence of bound classical orbits. The symmetry of the problem is SO(3) × SO(2, 1) corroborating previously obtained results

  1. Classical and quantum dynamics in an inverse square potential

    Energy Technology Data Exchange (ETDEWEB)

    Guillaumín-España, Elisa, E-mail: ege@correo.azc.uam.mx [Laboratorio de Sistemas Dinámicos, Departamento de Ciencias Básicas, Universidad Autónoma Metropolitana, Unidad Azcapotzalco, Azcapotzalco CP 02200 D. F. (Mexico); Núñez-Yépez, H. N., E-mail: nyhn@xanum.uam.mx [Departamento de Física, Universidad Autónoma Metropolitana, Unidad Iztapalapa, Apartado Postal 55-534, Iztapalapa CP 09340 D. F. (Mexico); Salas-Brito, A. L., E-mail: asb@correo.azc.uam.mx [Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México (ICN-UNAM), Apartado Postal 70-543, 04510 México D F (Mexico)

    2014-10-15

    The classical motion of a particle in a 3D inverse square potential with negative energy, E, is shown to be geodesic, i.e., equivalent to the particle's free motion on a non-compact phase space manifold irrespective of the sign of the coupling constant. We thus establish that all its classical orbits with E < 0 are unbounded. To analyse the corresponding quantum problem, the Schrödinger equation is solved in momentum space. No discrete energy levels exist in the unrenormalized case and the system shows a complete “fall-to-the-center” with an energy spectrum unbounded by below. Such behavior corresponds to the non-existence of bound classical orbits. The symmetry of the problem is SO(3) × SO(2, 1) corroborating previously obtained results.

  2. Short-time quantum dynamics of sharp boundaries potentials

    Energy Technology Data Exchange (ETDEWEB)

    Granot, Er' el, E-mail: erel@ariel.ac.il; Marchewka, Avi

    2015-02-15

    Despite the high prevalence of singular potential in general, and rectangular potentials in particular, in applied scattering models, to date little is known about their short time effects. The reason is that singular potentials cause a mixture of complicated local as well as non-local effects. The object of this work is to derive a generic method to calculate analytically the short-time impact of any singular potential. In this paper it is shown that the scattering of a smooth wavefunction on a singular potential is totally equivalent, in the short-time regime, to the free propagation of a singular wavefunction. However, the latter problem was totally addressed analytically in Ref. [7]. Therefore, this equivalency can be utilized in solving analytically the short time dynamics of any smooth wavefunction at the presence of a singular potentials. In particular, with this method the short-time dynamics of any problem where a sharp boundaries potential (e.g., a rectangular barrier) is turned on instantaneously can easily be solved analytically.

  3. Short-time quantum dynamics of sharp boundaries potentials

    Science.gov (United States)

    Granot, Er'el; Marchewka, Avi

    2015-02-01

    Despite the high prevalence of singular potential in general, and rectangular potentials in particular, in applied scattering models, to date little is known about their short time effects. The reason is that singular potentials cause a mixture of complicated local as well as non-local effects. The object of this work is to derive a generic method to calculate analytically the short-time impact of any singular potential. In this paper it is shown that the scattering of a smooth wavefunction on a singular potential is totally equivalent, in the short-time regime, to the free propagation of a singular wavefunction. However, the latter problem was totally addressed analytically in Ref. [7]. Therefore, this equivalency can be utilized in solving analytically the short time dynamics of any smooth wavefunction at the presence of a singular potentials. In particular, with this method the short-time dynamics of any problem where a sharp boundaries potential (e.g., a rectangular barrier) is turned on instantaneously can easily be solved analytically.

  4. Short-time quantum dynamics of sharp boundaries potentials

    International Nuclear Information System (INIS)

    Granot, Er'el; Marchewka, Avi

    2015-01-01

    Despite the high prevalence of singular potential in general, and rectangular potentials in particular, in applied scattering models, to date little is known about their short time effects. The reason is that singular potentials cause a mixture of complicated local as well as non-local effects. The object of this work is to derive a generic method to calculate analytically the short-time impact of any singular potential. In this paper it is shown that the scattering of a smooth wavefunction on a singular potential is totally equivalent, in the short-time regime, to the free propagation of a singular wavefunction. However, the latter problem was totally addressed analytically in Ref. [7]. Therefore, this equivalency can be utilized in solving analytically the short time dynamics of any smooth wavefunction at the presence of a singular potentials. In particular, with this method the short-time dynamics of any problem where a sharp boundaries potential (e.g., a rectangular barrier) is turned on instantaneously can easily be solved analytically

  5. Long and short time quantum dynamics III. Transients,

    Czech Academy of Sciences Publication Activity Database

    Špička, Václav; Velický, Bedřich; Kalvová, Anděla

    2005-01-01

    Roč. 29, - (2005), s. 196-212 ISSN 1386-9477 R&D Projects: GA ČR(CZ) GA202/04/0585; GA AV ČR(CZ) IAA1010404 Institutional research plan: CEZ:AV0Z10100521; CEZ:AV0Z10100520 Keywords : non-equilibrium * Green functions * quantum transport equations * initial conditions Subject RIV: BE - Theoretical Physics Impact factor: 0.946, year: 2005

  6. Quantum-Dynamical Theory of Electron Exchange Correlation

    Directory of Open Access Journals (Sweden)

    Burke Ritchie

    2013-01-01

    aggregate, is elucidated. The relationship depends on the use of spin-dependent quantum trajectories (SDQT to evaluate Coulomb’s law between any two electrons as an instantaneous interaction in space and time rather than as a quantum-mean interaction in the form of screening and exchange potentials. Hence FDS depends in an ab initio sense on the inference of SDQT from Dirac’s equation, which provides for relativistic Lorentz invariance and a permanent magnetic moment (or spin in the electron’s equation of motion. Schroedinger’s time-dependent equation can be used to evaluate the SDQT in the nonrelativistic regime of electron velocity. Remarkably FDS is a relativistic property of an ensemble of electron, even though it is of order c0 in the nonrelativistic limit, in agreement with experimental observation. Finally it is shown that covalent versus separated-atoms limits can be characterized by the SDQT. As an example of the use of SDQT in a canonical structure problem, the energies of the 1Σg and 3Σu states of H2 are calculated and compared with the accurate variational energies of Kolos and Wolniewitz.

  7. Turning big bang into big bounce: II. Quantum dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Malkiewicz, Przemyslaw; Piechocki, Wlodzimierz, E-mail: pmalk@fuw.edu.p, E-mail: piech@fuw.edu.p [Theoretical Physics Department, Institute for Nuclear Studies, Hoza 69, 00-681 Warsaw (Poland)

    2010-11-21

    We analyze the big bounce transition of the quantum Friedmann-Robertson-Walker model in the setting of the nonstandard loop quantum cosmology (LQC). Elementary observables are used to quantize composite observables. The spectrum of the energy density operator is bounded and continuous. The spectrum of the volume operator is bounded from below and discrete. It has equally distant levels defining a quantum of the volume. The discreteness may imply a foamy structure of spacetime at a semiclassical level which may be detected in astro-cosmo observations. The nonstandard LQC method has a free parameter that should be fixed in some way to specify the big bounce transition.

  8. Quantum dynamics of a particle in a tracking chamber

    CERN Document Server

    Figari, Rodolfo

    2014-01-01

    In the original formulation of quantum mechanics the existence of a precise border between a microscopic world, governed by quantum mechanics, and a macroscopic world, described by classical mechanics was assumed. Modern theoretical and experimental physics has moved that border several times, carefully investigating its definition and making available to observation larger and larger quantum systems. The present book examines a paradigmatic case of the transition from quantum to classical behavior: A quantum particle is revealed in a tracking chamber as a trajectory obeying the laws of classical mechanics. The authors provide here a purely quantum-mechanical description of this behavior, thus helping to illuminate the nature of the border between the quantum and the classical.

  9. Signatures of discrete breathers in coherent state quantum dynamics

    International Nuclear Information System (INIS)

    Igumenshchev, Kirill; Ovchinnikov, Misha; Prezhdo, Oleg; Maniadis, Panagiotis

    2013-01-01

    In classical mechanics, discrete breathers (DBs) – a spatial time-periodic localization of energy – are predicted in a large variety of nonlinear systems. Motivated by a conceptual bridging of the DB phenomena in classical and quantum mechanical representations, we study their signatures in the dynamics of a quantum equivalent of a classical mechanical point in phase space – a coherent state. In contrast to the classical point that exhibits either delocalized or localized motion, the coherent state shows signatures of both localized and delocalized behavior. The transition from normal to local modes have different characteristics in quantum and classical perspectives. Here, we get an insight into the connection between classical and quantum perspectives by analyzing the decomposition of the coherent state into system's eigenstates, and analyzing the spacial distribution of the wave-function density within these eigenstates. We find that the delocalized and localized eigenvalue components of the coherent state are separated by a mixed region, where both kinds of behavior can be observed. Further analysis leads to the following observations. Considered as a function of coupling, energy eigenstates go through avoided crossings between tunneling and non-tunneling modes. The dominance of tunneling modes in the high nonlinearity region is compromised by the appearance of new types of modes – high order tunneling modes – that are similar to the tunneling modes but have attributes of non-tunneling modes. Certain types of excitations preferentially excite higher order tunneling modes, allowing one to study their properties. Since auto-correlation functions decrease quickly in highly nonlinear systems, short-time dynamics are sufficient for modeling quantum DBs. This work provides a foundation for implementing modern semi-classical methods to model quantum DBs, bridging classical and quantum mechanical signatures of DBs, and understanding spectroscopic experiments that involve a coherent state.

  10. Quantum dynamics of vibrational excitations and vibrational charge ...

    Indian Academy of Sciences (India)

    Administrator

    Dedicated to the memory of the late Professor S K Rangarajan ... Department of Chemistry, Indian Institute of Technology Madras, Chennai 600 036. # ... likely ways to improve the results are discussed in terms of the inclusion of higher excited ...

  11. Three dimensional MEMS supercapacitors

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Wei

    2011-10-15

    The overall objective of this research is to achieve compact supercapacitors with high capacitance, large power density, and long cycle life for using as micro power sources to drive low power devices and sensors. The main shortcoming of supercapacitors as a power source is that its energy density typically is about 1/10 of that of batteries. To achieve compact supercapacitors of large energy density, supercapacitors must be developed with high capacitance and power density which are mainly depended on the effective surface area of the electrodes of the supercapacitors. Many studies have been done to increase the effective surface area by modifying the electrode materials, however, much less investigations are focus on machining the electrodes. In my thesis work, micro- and nano-technologies are applied as technology approaches for machining the electrodes with three dimensional (3D) microstructures. More specific, Micro-electro-mechanical system (MEMS) fabrication process flow, which integrates the key process such as LIGA-like (German acronym for Lithographie, Galvanoformung, Abformung, which mean Lithography, Electroplating and Molding) technology or DRIE (deep reactive ion etching), has been developed to enable innovative designs of 3D MEMS supercapacitors which own the electrodes of significantly increased geometric area. Two types of 3D MEMS supercapcitors, based on LIGA-like and DRIE technology respectively, were designed and successfully created. The LIGA-like based 3D MEMS supercapacitor is with an interdigital 3D structure, and consists of silicon substrate, two electroplated nickel current collectors, two PPy (poly pyrrole) electrodes, and solid state electrolyte. The fabrication process flow developed includes the flowing key processes, SU-8 lithography, nickel electroplating, PPy polymerization and solid state electrolyte coating. Electrochemical tests showed that the single electrode of the supercapacitor has the specific capacitance of 0.058 F cm-2

  12. Two-dimensional beam profiles and one-dimensional projections

    Science.gov (United States)

    Findlay, D. J. S.; Jones, B.; Adams, D. J.

    2018-05-01

    One-dimensional projections of improved two-dimensional representations of transverse profiles of particle beams are proposed for fitting to data from harp-type monitors measuring beam profiles on particle accelerators. Composite distributions, with tails smoothly matched on to a central (inverted) parabola, are shown to give noticeably better fits than single gaussian and single parabolic distributions to data from harp-type beam profile monitors all along the proton beam transport lines to the two target stations on the ISIS Spallation Neutron Source. Some implications for inferring beam current densities on the beam axis are noted.

  13. General dimensional reduction of ten-dimensional supergravity and superstring

    International Nuclear Information System (INIS)

    Ferrara, S.; Porrati, M.

    1986-01-01

    Dimensional reductions of supergravity theories are shown to yield to specific glasses of four-dimensional no-scale models with N=4, 2 or 1 residual supersymmetry. N=1 ''maximal'' supergravity lagrangian, corresponding to the ''untwisted'' sector of orbifold compactification of superstrings, contains nine families and has a no-scale structure based on the Kaehler manifold [SU(3, 3+3n)/SU(3)xSU(3+3n)]x[SU(1, 1)/U(1)]. The quantum consistency of the resulting theories give information on the non Kaluza-Klein (string) ''twisted'' sector. (orig.)

  14. (Weakly) three-dimensional caseology

    International Nuclear Information System (INIS)

    Pomraning, G.C.

    1996-01-01

    The singular eigenfunction technique of Case for solving one-dimensional planar symmetry linear transport problems is extended to a restricted class of three-dimensional problems. This class involves planar geometry, but with forcing terms (either boundary conditions or internal sources) which are weakly dependent upon the transverse spatial variables. Our analysis involves a singular perturbation about the classic planar analysis, and leads to the usual Case discrete and continuum modes, but modulated by weakly dependent three-dimensional spatial functions. These functions satisfy parabolic differential equations, with a different diffusion coefficient for each mode. Representative one-speed time-independent transport problems are solved in terms of these generalised Case eigenfunctions. Our treatment is very heuristic, but may provide an impetus for more rigorous analysis. (author)

  15. Dimensional micro and nano metrology

    DEFF Research Database (Denmark)

    Hansen, Hans Nørgaard; da Costa Carneiro, Kim; Haitjema, Han

    2006-01-01

    The need for dimensional micro and nano metrology is evident, and as critical dimensions are scaled down and geometrical complexity of objects is increased, the available technologies appear not sufficient. Major research and development efforts have to be undertaken in order to answer these chal......The need for dimensional micro and nano metrology is evident, and as critical dimensions are scaled down and geometrical complexity of objects is increased, the available technologies appear not sufficient. Major research and development efforts have to be undertaken in order to answer...... these challenges. The developments have to include new measuring principles and instrumentation, tolerancing rules and procedures as well as traceability and calibration. The current paper describes issues and challenges in dimensional micro and nano metrology by reviewing typical measurement tasks and available...

  16. Dimensional reduction in quantum gravity

    Energy Technology Data Exchange (ETDEWEB)

    Hooft, G [Rijksuniversiteit Utrecht (Netherlands). Inst. voor Theoretische Fysica

    1994-12-31

    The requirement that physical phenomena associated with gravitational collapse should be duly reconciled with the postulates of quantum mechanics implies that at a Planckian scale our world is not 3+1 dimensional. Rather, the observable degrees of freedom can best be described as if they were Boolean variables defined on a two- dimensional lattice, evolving with time. This observation, deduced from not much more than unitarity, entropy and counting arguments, implies severe restrictions on possible models of quantum gravity. Using cellular automata as an example it is argued that this dimensional reduction implies more constraints than the freedom we have in constructing models. This is the main reason why so-far no completely consistent mathematical models of quantum black holes have been found. (author). 13 refs, 2 figs.

  17. Curvature perturbations from dimensional decoupling

    CERN Document Server

    Giovannini, Massimo

    2005-01-01

    The scalar modes of the geometry induced by dimensional decoupling are investigated. In the context of the low energy string effective action, solutions can be found where the spatial part of the background geometry is the direct product of two maximally symmetric Euclidean manifolds whose related scale factors evolve at a dual rate so that the expanding dimensions first accelerate and then decelerate while the internal dimensions always contract. After introducing the perturbative treatment of the inhomogeneities, a class of five-dimensional geometries is discussed in detail. Quasi-normal modes of the system are derived and the numerical solution for the evolution of the metric inhomogeneities shows that the fluctuations of the internal dimensions provide a term that can be interpreted, in analogy with the well-known four-dimensional situation, as a non-adiabatic pressure density variation. Implications of this result are discussed with particular attention to string cosmological scenarios.

  18. Multi-Dimensional Path Queries

    DEFF Research Database (Denmark)

    Bækgaard, Lars

    1998-01-01

    to create nested path structures. We present an SQL-like query language that is based on path expressions and we show how to use it to express multi-dimensional path queries that are suited for advanced data analysis in decision support environments like data warehousing environments......We present the path-relationship model that supports multi-dimensional data modeling and querying. A path-relationship database is composed of sets of paths and sets of relationships. A path is a sequence of related elements (atoms, paths, and sets of paths). A relationship is a binary path...

  19. Reduction of infinite dimensional equations

    Directory of Open Access Journals (Sweden)

    Zhongding Li

    2006-02-01

    Full Text Available In this paper, we use the general Legendre transformation to show the infinite dimensional integrable equations can be reduced to a finite dimensional integrable Hamiltonian system on an invariant set under the flow of the integrable equations. Then we obtain the periodic or quasi-periodic solution of the equation. This generalizes the results of Lax and Novikov regarding the periodic or quasi-periodic solution of the KdV equation to the general case of isospectral Hamiltonian integrable equation. And finally, we discuss the AKNS hierarchy as a special example.

  20. Instabilities of higher dimensional compactifications

    International Nuclear Information System (INIS)

    Accetta, F.S.

    1987-02-01

    Various schemes for cosmological compactification of higher dimensional theories are considered. Possible instabilities which drive the ground state with static internal space to de Sitter-like expansion of all dimensions are discussed. These instabilities are due to semiclassical barrier penetration and classical thermal fluctuations. For the case of the ten dimensional Chapline-Manton action, it is possible to avoid such difficulties by balancing one-loop Casimir corrections against monopole contributions from the field strength H/sub MNP/ and fermionic condensates. 10 refs

  1. -Dimensional Fractional Lagrange's Inversion Theorem

    Directory of Open Access Journals (Sweden)

    F. A. Abd El-Salam

    2013-01-01

    Full Text Available Using Riemann-Liouville fractional differential operator, a fractional extension of the Lagrange inversion theorem and related formulas are developed. The required basic definitions, lemmas, and theorems in the fractional calculus are presented. A fractional form of Lagrange's expansion for one implicitly defined independent variable is obtained. Then, a fractional version of Lagrange's expansion in more than one unknown function is generalized. For extending the treatment in higher dimensions, some relevant vectors and tensors definitions and notations are presented. A fractional Taylor expansion of a function of -dimensional polyadics is derived. A fractional -dimensional Lagrange inversion theorem is proved.

  2. Two-dimensional liquid chromatography

    DEFF Research Database (Denmark)

    Græsbøll, Rune

    -dimensional separation space. Optimization of gradients in online RP×RP is more difficult than in normal HPLC as a result of the increased number of parameters and their influence on each other. Modeling the coverage of the compounds across the two-dimensional chromatogram as a result of a change in gradients could...... be used for optimization purposes, and reduce the time spend on optimization. In this thesis (chapter 6), and manuscript B, a measure of the coverage of the compounds in the twodimensional separation space is defined. It is then shown that this measure can be modeled for changes in the gradient in both...

  3. Quasi-two-dimensional holography

    International Nuclear Information System (INIS)

    Kutzner, J.; Erhard, A.; Wuestenberg, H.; Zimpfer, J.

    1980-01-01

    The acoustical holography with numerical reconstruction by area scanning is memory- and time-intensive. With the experiences by the linear holography we tried to derive a scanning for the evaluating of the two-dimensional flaw-sizes. In most practical cases it is sufficient to determine the exact depth extension of a flaw, whereas the accuracy of the length extension is less critical. For this reason the applicability of the so-called quasi-two-dimensional holography is appropriate. The used sound field given by special probes is divergent in the inclined plane and light focussed in the perpendicular plane using cylindrical lenses. (orig.) [de

  4. Negative dimensional integrals. Pt. 1

    International Nuclear Information System (INIS)

    Halliday, I.G.; Ricotta, R.M.

    1987-01-01

    We propose a new method of evaluating integrals based on negative dimensional integration. We compute Feynman graphs by considering analytic extensions. Propagators are raised to negative integer powers and integrated over negative integer dimensions. We are left with the problem of computing polynomial integrals and summing finite series. (orig.)

  5. Dimensional Reduction and Hadronic Processes

    International Nuclear Information System (INIS)

    Signer, Adrian; Stoeckinger, Dominik

    2008-01-01

    We consider the application of regularization by dimensional reduction to NLO corrections of hadronic processes. The general collinear singularity structure is discussed, the origin of the regularization-scheme dependence is identified and transition rules to other regularization schemes are derived.

  6. Analysis of infinite dimensional diffusions

    NARCIS (Netherlands)

    Maas, J.

    2009-01-01

    Stochastic processes in infinite dimensional state spaces provide a mathematical description of various phenomena in physics, population biology, finance, and other fields of science. Several aspects of these processes have been studied in this thesis by means of new analytic methods. Firstly,

  7. 3-dimensional Charge Collection Efficiency

    CERN Document Server

    Kodak, Umut

    2013-01-01

    In this project, we designed a simulation program to create the efficiency map of a 3 dimensional rectangular detector. Efficiency is calculated by observing the collected charge at the output. Using this simulation program, one can observe the inefficient regions at not only on the surface of detector but at the depths of detector.

  8. Quadratic divergences and dimensional regularisation

    International Nuclear Information System (INIS)

    Jack, I.; Jones, D.R.T.

    1990-01-01

    We present a detailed analysis of quadratic and quartic divergences in dimensionally regulated renormalisable theories. We perform explicit three-loop calculations for a general theory of scalars and fermions. We find that the higher-order quartic divergences are related to the lower-order ones by the renormalisation group β-functions. (orig.)

  9. Higher dimensional discrete Cheeger inequalities

    Directory of Open Access Journals (Sweden)

    Anna Gundert

    2015-01-01

    Full Text Available For graphs there exists a strong connection between spectral and combinatorial expansion properties. This is expressed, e.g., by the discrete Cheeger inequality, the lower bound of which states that $\\lambda(G \\leq h(G$, where $\\lambda(G$ is the second smallest eigenvalue of the Laplacian of a graph $G$ and $h(G$ is the Cheeger constant measuring the edge expansion of $G$. We are interested in generalizations of expansion properties to finite simplicial complexes of higher dimension (or uniform hypergraphs. Whereas higher dimensional Laplacians were introduced already in 1945 by Eckmann, the generalization of edge expansion to simplicial complexes is not straightforward. Recently, a topologically motivated notion analogous to edge expansion that is based on $\\mathbb{Z}_2$-cohomology was introduced by Gromov and independently by Linial, Meshulam and Wallach. It is known that for this generalization there is no direct higher dimensional analogue of the lower bound of the Cheeger inequality. A different, combinatorially motivated generalization of the Cheeger constant, denoted by $h(X$, was studied by Parzanchevski, Rosenthal and Tessler. They showed that indeed $\\lambda(X \\leq h(X$, where $\\lambda(X$ is the smallest non-trivial eigenvalue of the ($(k-1$-dimensional upper Laplacian, for the case of $k$-dimensional simplicial complexes $X$ with complete $(k-1$-skeleton. Whether this inequality also holds for $k$-dimensional complexes with non-com\\-plete$(k-1$-skeleton has been an open question.We give two proofs of the inequality for arbitrary complexes. The proofs differ strongly in the methods and structures employed,and each allows for a different kind of additional strengthening of the original result.

  10. ONE-DIMENSIONAL AND TWO-DIMENSIONAL LEADERSHIP STYLES

    OpenAIRE

    Nikola Stefanović

    2007-01-01

    In order to motivate their group members to perform certain tasks, leaders use different leadership styles. These styles are based on leaders' backgrounds, knowledge, values, experiences, and expectations. The one-dimensional styles, used by many world leaders, are autocratic and democratic styles. These styles lie on the two opposite sides of the leadership spectrum. In order to precisely define the leadership styles on the spectrum between the autocratic leadership style and the democratic ...

  11. High-dimensional covariance estimation with high-dimensional data

    CERN Document Server

    Pourahmadi, Mohsen

    2013-01-01

    Methods for estimating sparse and large covariance matrices Covariance and correlation matrices play fundamental roles in every aspect of the analysis of multivariate data collected from a variety of fields including business and economics, health care, engineering, and environmental and physical sciences. High-Dimensional Covariance Estimation provides accessible and comprehensive coverage of the classical and modern approaches for estimating covariance matrices as well as their applications to the rapidly developing areas lying at the intersection of statistics and mac

  12. Two-dimensional flexible nanoelectronics

    Science.gov (United States)

    Akinwande, Deji; Petrone, Nicholas; Hone, James

    2014-12-01

    2014/2015 represents the tenth anniversary of modern graphene research. Over this decade, graphene has proven to be attractive for thin-film transistors owing to its remarkable electronic, optical, mechanical and thermal properties. Even its major drawback--zero bandgap--has resulted in something positive: a resurgence of interest in two-dimensional semiconductors, such as dichalcogenides and buckled nanomaterials with sizeable bandgaps. With the discovery of hexagonal boron nitride as an ideal dielectric, the materials are now in place to advance integrated flexible nanoelectronics, which uniquely take advantage of the unmatched portfolio of properties of two-dimensional crystals, beyond the capability of conventional thin films for ubiquitous flexible systems.

  13. Two-dimensional topological photonics

    Science.gov (United States)

    Khanikaev, Alexander B.; Shvets, Gennady

    2017-12-01

    Originating from the studies of two-dimensional condensed-matter states, the concept of topological order has recently been expanded to other fields of physics and engineering, particularly optics and photonics. Topological photonic structures have already overturned some of the traditional views on wave propagation and manipulation. The application of topological concepts to guided wave propagation has enabled novel photonic devices, such as reflection-free sharply bent waveguides, robust delay lines, spin-polarized switches and non-reciprocal devices. Discrete degrees of freedom, widely used in condensed-matter physics, such as spin and valley, are now entering the realm of photonics. In this Review, we summarize the latest advances in this highly dynamic field, with special emphasis on the experimental work on two-dimensional photonic topological structures.

  14. Two-dimensional thermofield bosonization

    International Nuclear Information System (INIS)

    Amaral, R.L.P.G.; Belvedere, L.V.; Rothe, K.D.

    2005-01-01

    The main objective of this paper was to obtain an operator realization for the bosonization of fermions in 1 + 1 dimensions, at finite, non-zero temperature T. This is achieved in the framework of the real-time formalism of Thermofield Dynamics. Formally, the results parallel those of the T = 0 case. The well-known two-dimensional Fermion-Boson correspondences at zero temperature are shown to hold also at finite temperature. To emphasize the usefulness of the operator realization for handling a large class of two-dimensional quantum field-theoretic problems, we contrast this global approach with the cumbersome calculation of the fermion-current two-point function in the imaginary-time formalism and real-time formalisms. The calculations also illustrate the very different ways in which the transmutation from Fermi-Dirac to Bose-Einstein statistics is realized

  15. Dimensionality of the human electroencephalogram

    Energy Technology Data Exchange (ETDEWEB)

    Mayer-Kress, G.; Layne, S.P.

    1986-01-01

    The goal was to evaluate anesthetic depth in patients by dimensional analysis. Although it was difficult to obtain clean EEG records from the operating room due to noise of electrocautery and movement of the patient's head by operating room personnel. The results are presented on one case of our calculations, followed by a discussion of problems associated with dimensional analysis of the EEG. We consider only two states: aware but quiet, and medium anesthesia. The EEG data we use comes from Hanley and Walts. It was selected because anesthesia was induced by a single agent, and because of its uninterrupted length and lack of artifacts. 26 refs., 27 figs., 1 tab.

  16. Las cinco grandes dimensiones de la personalidad

    Directory of Open Access Journals (Sweden)

    Jan ter Laak

    1996-12-01

    Full Text Available Este artículo revisa las distintas posiciones teóricas sobre las cinco grandes dimensiones de la personalidad, mostrando las semejanzas y diferencias entre las posturas teóricas. Esta contribución presenta lo siguiente: (a la génesis del contenido y la estructura de las cinco dimensiones; (b la fortaleza de las cinco dimensiones; (e la relación de las cinco grandes dimensiones con otros constructos de personalidad; (d discute el valor predictivo de las puntuaciones del perfil de las cinco dimensiones para criterios pertinentes; (e analiza el estatus teórico de las cinco dimensiones; (f discute críticas históricas sobre las cinco grandes dimensiones y se formulan respuestas a estas críticas; (g hace conjeturas para el futuro de las cinco grandes dimensiones; y (h concluye con algunas conclusiones y comentarios.

  17. Two-dimensional critical phenomena

    International Nuclear Information System (INIS)

    Saleur, H.

    1987-09-01

    Two dimensional critical systems are studied using transformation to free fields and conformal invariance methods. The relations between the two approaches are also studied. The analytical results obtained generally depend on universality hypotheses or on renormalization group trajectories which are not established rigorously, so numerical verifications, mainly using the transfer matrix approach, are presented. The exact determination of critical exponents; the partition functions of critical models on toruses; and results as the critical point is approached are discussed [fr

  18. Solitons in four dimensional gravity

    International Nuclear Information System (INIS)

    Matos, T.

    1990-01-01

    An alternative method to solve the Chiral equations with SL (2,R) symmetry is developed. One gets the N-soliton solution using the Neugebauer Ansatz. For N = 1 one obtains the Backlund transformation of the Chiral equations. From the application of this transformation for the flat seed solution one finds the Kerr-NUT solution. This method can be applied to generate solutions of the n-dimensional Einstein equations (Author)

  19. One dimensional reactor core model

    International Nuclear Information System (INIS)

    Kostadinov, V.; Stritar, A.; Radovo, M.; Mavko, B.

    1984-01-01

    The one dimensional model of neutron dynamic in reactor core was developed. The core was divided in several axial nodes. The one group neutron diffusion equation for each node is solved. Feedback affects of fuel and water temperatures is calculated. The influence of xenon, boron and control rods is included in cross section calculations for each node. The system of equations is solved implicitly. The model is used in basic principle Training Simulator of NPP Krsko. (author)

  20. Dimensional crossover in directed percolation

    International Nuclear Information System (INIS)

    Chame, A.M.N.; Queiroz, S.L.A. de; Santos, Raimundo R. dos.

    1984-04-01

    We study the dimensional crossover in directed percolation in three dimensions. Bonds are allowed to have different concentrations along the three cartesian axes of the lattice. Through a Position Space Renormalization Group we obtain the phase-diagrama where non-percolating, 1-D, 2-D and 3-D percolating phases are present. We find that the isotropic fixed points are unstable with respect to anisotropy, thus driving the system into a different universality class. (author) [pt

  1. Two dimensional unstable scar statistics.

    Energy Technology Data Exchange (ETDEWEB)

    Warne, Larry Kevin; Jorgenson, Roy Eberhardt; Kotulski, Joseph Daniel; Lee, Kelvin S. H. (ITT Industries/AES Los Angeles, CA)

    2006-12-01

    This report examines the localization of time harmonic high frequency modal fields in two dimensional cavities along periodic paths between opposing sides of the cavity. The cases where these orbits lead to unstable localized modes are known as scars. This paper examines the enhancements for these unstable orbits when the opposing mirrors are both convex and concave. In the latter case the construction includes the treatment of interior foci.

  2. Dimensional reduction in anomaly mediation

    International Nuclear Information System (INIS)

    Boyda, Ed; Murayama, Hitoshi; Pierce, Aaron

    2002-01-01

    We offer a guide to dimensional reduction in theories with anomaly-mediated supersymmetry breaking. Evanescent operators proportional to ε arise in the bare Lagrangian when it is reduced from d=4 to d=4-2ε dimensions. In the course of a detailed diagrammatic calculation, we show that inclusion of these operators is crucial. The evanescent operators conspire to drive the supersymmetry-breaking parameters along anomaly-mediation trajectories across heavy particle thresholds, guaranteeing the ultraviolet insensitivity

  3. The dimensionality of professional commitment

    OpenAIRE

    Jeffrey J. Bagraim

    2003-01-01

    This paper examines the dimensionality of professional commitment amongst a sample of 240 South African actuaries. Data were obtained, via a mailed questionnaire, from members of the South African Actuarial Society employed in the financial services industry. Statistical analysis conducted on the data showed that the 3-component model first proposed by Meyer, Allen and Smith (1993) is appropriate for understanding professional commitment amongst South African professionals. The analysis also ...

  4. Finding two-dimensional peaks

    International Nuclear Information System (INIS)

    Silagadze, Z.K.

    2007-01-01

    Two-dimensional generalization of the original peak finding algorithm suggested earlier is given. The ideology of the algorithm emerged from the well-known quantum mechanical tunneling property which enables small bodies to penetrate through narrow potential barriers. We merge this 'quantum' ideology with the philosophy of Particle Swarm Optimization to get the global optimization algorithm which can be called Quantum Swarm Optimization. The functionality of the newborn algorithm is tested on some benchmark optimization problems

  5. Dimensional stability of natural fibers

    Energy Technology Data Exchange (ETDEWEB)

    Driscoll, Mark S. [Ultraviolet Light/Electron Beam (UV/EB) Technology Center, State University of New York College of Environmental Science and Forestry (SUNY-ESF), 1 Forestry Drive, Syracuse, NY 13210 (United States); Smith, Jennifer L.; Woods, Sean; Tiss, Kenneth J. [Ultraviolet Light/Electron Beam (UV/EB) Technology Center, State University of New York College of Environmental Science and Forestry (SUNY-ESF), 1 Forestry Drive, Syracuse, NY 13210 and Sustainable Construction Management and Engineering, SUNY-ESF (United States); Larsen, L. Scott [New York State Energy Research and Development Authority (NYSERDA), 17 Columbia Circle, Albany, NY 12203 (United States)

    2013-04-19

    One of the main problems associated with the use of natural fibers as reinforcing agents in composites is their uptake of moisture. Many natural fibers are lignocellulosic, which causes them to swell and shrink as the amount of available moisture changes. Swelling and shrinking can cause composites to prematurely fail. This paper presents the results of a preliminary study that considers the use of two different low molecular weight monomers, hydroxyethyl methacrylate (HEMA) and hydroxyethyl acrylate (HEA), polymerized by electron beam ionizing radiation, to dimensionally stabilize natural fibers. Eight different treatments consisting of varying amounts of monomer, encapsulating agent, and cross-linkers, were evaluated for their ability to dimensionally stabilize sisal fiber. Results indicate that both polymerized HEA and HEMA can reduce the swelling of sisal fiber. The effectiveness of HEA and HEMA can be further enhanced with the use of a cross-linker (SR 454). The use of hydroxylated monomers to dimensionally stabilize natural fibers may play an important role in reducing delamination and improving fiber-resin adhesion in composites.

  6. Equilibrium: three-dimensional configurations

    International Nuclear Information System (INIS)

    Anon.

    1987-01-01

    This chapter considers toroidal MHD configurations that are inherently three-dimensional. The motivation for investigation such complicated equilibria is that they possess the potential for providing toroidal confinement without the need of a net toroidal current. This leads to a number of advantages with respect to fusion power generation. First, the attractive feature of steady-state operation becomes more feasible since such configurations no longer require a toroidal current transformer. Second, with zero net current, one potentially dangerous class of MHD instabilities, the current-driven kink modes, is eliminated. Finally, three-dimensional configurations possess nondegenerate flux surfaces even in the absence of plasma pressure and plasma current. Although there is an enormous range of possible three-dimensional equilibria, the configurations of interest are accurately described as axisymmetric tori with superimposed helical fields; furthermore, they possess no net toroidal current. Instead, two different and less obvious restoring forces are developed: the helical sideband force and the toroidal dipole current force. Each is discussed in detail in Chapter 7. A detailed discussion of the parallel current constraint, including its physical significance, is given in section 7.2. A general analysis of helical sideband equilibria, along with a detailed description of the Elmo bumpy torus, is presented in sections 7.3 and 7.4. A general description of toroidal dipole-current equilibria, including a detailed discussion of stellarators, heliotrons, and torsatrons, is given in sections 7.5 and 7.6

  7. Dimensional stability of natural fibers

    International Nuclear Information System (INIS)

    Driscoll, Mark S.; Smith, Jennifer L.; Woods, Sean; Tiss, Kenneth J.; Larsen, L. Scott

    2013-01-01

    One of the main problems associated with the use of natural fibers as reinforcing agents in composites is their uptake of moisture. Many natural fibers are lignocellulosic, which causes them to swell and shrink as the amount of available moisture changes. Swelling and shrinking can cause composites to prematurely fail. This paper presents the results of a preliminary study that considers the use of two different low molecular weight monomers, hydroxyethyl methacrylate (HEMA) and hydroxyethyl acrylate (HEA), polymerized by electron beam ionizing radiation, to dimensionally stabilize natural fibers. Eight different treatments consisting of varying amounts of monomer, encapsulating agent, and cross-linkers, were evaluated for their ability to dimensionally stabilize sisal fiber. Results indicate that both polymerized HEA and HEMA can reduce the swelling of sisal fiber. The effectiveness of HEA and HEMA can be further enhanced with the use of a cross-linker (SR 454). The use of hydroxylated monomers to dimensionally stabilize natural fibers may play an important role in reducing delamination and improving fiber-resin adhesion in composites.

  8. High-Dimensional Metrics in R

    OpenAIRE

    Chernozhukov, Victor; Hansen, Chris; Spindler, Martin

    2016-01-01

    The package High-dimensional Metrics (\\Rpackage{hdm}) is an evolving collection of statistical methods for estimation and quantification of uncertainty in high-dimensional approximately sparse models. It focuses on providing confidence intervals and significance testing for (possibly many) low-dimensional subcomponents of the high-dimensional parameter vector. Efficient estimators and uniformly valid confidence intervals for regression coefficients on target variables (e.g., treatment or poli...

  9. Cosmological string solutions by dimensional reduction

    International Nuclear Information System (INIS)

    Behrndt, K.; Foerste, S.

    1993-12-01

    We obtain cosmological four dimensional solutions of the low energy effective string theory by reducing a five dimensional black hole, and black hole-de Sitter solution of the Einstein gravity down to four dimensions. The appearance of a cosmological constant in the five dimensional Einstein-Hilbert produces a special dilaton potential in the four dimensional effective string action. Cosmological scenarios implement by our solutions are discussed

  10. On the space dimensionality based on metrics

    International Nuclear Information System (INIS)

    Gorelik, G.E.

    1978-01-01

    A new approach to space time dimensionality is suggested, which permits to take into account the possibility of altering dimensionality depending on the phenomenon scale. An attempt is made to give the definition of dimensionality, equivalent to a conventional definition for the Euclidean space and variety. The conventional definition of variety dimensionality is connected with the possibility of homeomorphic reflection of the Euclidean space on some region of each variety point

  11. Orthogonality preserving infinite dimensional quadratic stochastic operators

    International Nuclear Information System (INIS)

    Akın, Hasan; Mukhamedov, Farrukh

    2015-01-01

    In the present paper, we consider a notion of orthogonal preserving nonlinear operators. We introduce π-Volterra quadratic operators finite and infinite dimensional settings. It is proved that any orthogonal preserving quadratic operator on finite dimensional simplex is π-Volterra quadratic operator. In infinite dimensional setting, we describe all π-Volterra operators in terms orthogonal preserving operators

  12. Assessment of Dimensionality in Social Science Subtest

    Science.gov (United States)

    Ozbek Bastug, Ozlem Yesim

    2012-01-01

    Most of the literature on dimensionality focused on either comparison of parametric and nonparametric dimensionality detection procedures or showing the effectiveness of one type of procedure. There is no known study to shown how to do combined parametric and nonparametric dimensionality analysis on real data. The current study is aimed to fill…

  13. D-dimensional moments of inertia

    International Nuclear Information System (INIS)

    Bender, C.M.; Mead, L.R.

    1995-01-01

    We calculate the moments of inertia of D-dimensional spheres and spherical shells, where D is a complex number. We also examine the moments of inertia of fractional-dimensional geometrical objects such as the Cantor set and the Sierpinski carpet and their D-dimensional analogs. copyright 1995 American Association of Physics Teachers

  14. Learning Low-Dimensional Metrics

    OpenAIRE

    Jain, Lalit; Mason, Blake; Nowak, Robert

    2017-01-01

    This paper investigates the theoretical foundations of metric learning, focused on three key questions that are not fully addressed in prior work: 1) we consider learning general low-dimensional (low-rank) metrics as well as sparse metrics; 2) we develop upper and lower (minimax)bounds on the generalization error; 3) we quantify the sample complexity of metric learning in terms of the dimension of the feature space and the dimension/rank of the underlying metric;4) we also bound the accuracy ...

  15. One dimensional model for polytypes

    International Nuclear Information System (INIS)

    Rosato, A.

    1979-01-01

    The general expression for the dispersion relation for a polyatomic one dimensional crystal obtained by the Laplace Transform Method is applied to materials with the fcc and hcp structures, both consisting of close-packed planes of atoms with the stacking sequence of plane ABC/ABC... and AB/AB... respectively. The expression is also applied to polytypes, that is materials caracterized by a stacking sequence with longer repeat unit. The effective mass is cast in a condensed form useful for further calculations. The results from this simple model are only qualitative. (Author) [pt

  16. Dimensional regularization in configuration space

    International Nuclear Information System (INIS)

    Bollini, C.G.; Giambiagi, J.J.

    1995-09-01

    Dimensional regularization is introduced in configuration space by Fourier transforming in D-dimensions the perturbative momentum space Green functions. For this transformation, Bochner theorem is used, no extra parameters, such as those of Feynman or Bogoliubov-Shirkov are needed for convolutions. The regularized causal functions in x-space have ν-dependent moderated singularities at the origin. They can be multiplied together and Fourier transformed (Bochner) without divergence problems. The usual ultraviolet divergences appear as poles of the resultant functions of ν. Several example are discussed. (author). 9 refs

  17. Two dimensional infinite conformal symmetry

    International Nuclear Information System (INIS)

    Mohanta, N.N.; Tripathy, K.C.

    1993-01-01

    The invariant discontinuous (discrete) conformal transformation groups, namely the Kleinian and Fuchsian groups Gamma (with an arbitrary signature) of H (the Poincare upper half-plane l) and the unit disc Delta are explicitly constructed from the fundamental domain D. The Riemann surface with signatures of Gamma and conformally invariant automorphic forms (functions) with Peterson scalar product are discussed. The functor, where the category of complex Hilbert spaces spanned by the space of cusp forms constitutes the two dimensional conformal field theory. (Author) 7 refs

  18. Stochastic and infinite dimensional analysis

    CERN Document Server

    Carpio-Bernido, Maria; Grothaus, Martin; Kuna, Tobias; Oliveira, Maria; Silva, José

    2016-01-01

    This volume presents a collection of papers covering applications from a wide range of systems with infinitely many degrees of freedom studied using techniques from stochastic and infinite dimensional analysis, e.g. Feynman path integrals, the statistical mechanics of polymer chains, complex networks, and quantum field theory. Systems of infinitely many degrees of freedom create their particular mathematical challenges which have been addressed by different mathematical theories, namely in the theories of stochastic processes, Malliavin calculus, and especially white noise analysis. These proceedings are inspired by a conference held on the occasion of Prof. Ludwig Streit’s 75th birthday and celebrate his pioneering and ongoing work in these fields.

  19. Dimensional scaling for quasistationary states

    International Nuclear Information System (INIS)

    Kais, S.; Herschbach, D.R.

    1993-01-01

    Complex energy eigenvalues which specify the location and width of quasibound or resonant states are computed to good approximation by a simple dimensional scaling method. As applied to bound states, the method involves minimizing an effective potential function in appropriately scaled coordinates to obtain exact energies in the D→∞ limit, then computing approximate results for D=3 by a perturbation expansion in 1/D about this limit. For resonant states, the same procedure is used, with the radial coordinate now allowed to be complex. Five examples are treated: the repulsive exponential potential (e - r); a squelched harmonic oscillator (r 2 e - r); the inverted Kratzer potential (r -1 repulsion plus r -2 attraction); the Lennard-Jones potential (r -12 repulsion, r -6 attraction); and quasibound states for the rotational spectrum of the hydrogen molecule (X 1 summation g + , v=0, J=0 to 50). Comparisons with numerical integrations and other methods show that the much simpler dimensional scaling method, carried to second-order (terms in 1/D 2 ), yields good results over an extremely wide range of the ratio of level widths to spacings. Other methods have not yet evaluated the very broad H 2 rotational resonances reported here (J>39), which lie far above the centrifugal barrier

  20. Two-dimensional capillary origami

    Energy Technology Data Exchange (ETDEWEB)

    Brubaker, N.D., E-mail: nbrubaker@math.arizona.edu; Lega, J., E-mail: lega@math.arizona.edu

    2016-01-08

    We describe a global approach to the problem of capillary origami that captures all unfolded equilibrium configurations in the two-dimensional setting where the drop is not required to fully wet the flexible plate. We provide bifurcation diagrams showing the level of encapsulation of each equilibrium configuration as a function of the volume of liquid that it contains, as well as plots representing the energy of each equilibrium branch. These diagrams indicate at what volume level the liquid drop ceases to be attached to the endpoints of the plate, which depends on the value of the contact angle. As in the case of pinned contact points, three different parameter regimes are identified, one of which predicts instantaneous encapsulation for small initial volumes of liquid. - Highlights: • Full solution set of the two-dimensional capillary origami problem. • Fluid does not necessarily wet the entire plate. • Global energy approach provides exact differential equations satisfied by minimizers. • Bifurcation diagrams highlight three different regimes. • Conditions for spontaneous encapsulation are identified.

  1. Two-dimensional capillary origami

    International Nuclear Information System (INIS)

    Brubaker, N.D.; Lega, J.

    2016-01-01

    We describe a global approach to the problem of capillary origami that captures all unfolded equilibrium configurations in the two-dimensional setting where the drop is not required to fully wet the flexible plate. We provide bifurcation diagrams showing the level of encapsulation of each equilibrium configuration as a function of the volume of liquid that it contains, as well as plots representing the energy of each equilibrium branch. These diagrams indicate at what volume level the liquid drop ceases to be attached to the endpoints of the plate, which depends on the value of the contact angle. As in the case of pinned contact points, three different parameter regimes are identified, one of which predicts instantaneous encapsulation for small initial volumes of liquid. - Highlights: • Full solution set of the two-dimensional capillary origami problem. • Fluid does not necessarily wet the entire plate. • Global energy approach provides exact differential equations satisfied by minimizers. • Bifurcation diagrams highlight three different regimes. • Conditions for spontaneous encapsulation are identified.

  2. Two dimensional solid state NMR

    International Nuclear Information System (INIS)

    Kentgens, A.P.M.

    1987-01-01

    This thesis illustrates, by discussing some existing and newly developed 2D solid state experiments, that two-dimensional NMR of solids is a useful and important extension of NMR techniques. Chapter 1 gives an overview of spin interactions and averaging techniques important in solid state NMR. As 2D NMR is already an established technique in solutions, only the basics of two dimensional NMR are presented in chapter 2, with an emphasis on the aspects important for solid spectra. The following chapters discuss the theoretical background and applications of specific 2D solid state experiments. An application of 2D-J resolved NMR, analogous to J-resolved spectroscopy in solutions, to natural rubber is given in chapter 3. In chapter 4 the anisotropic chemical shift is mapped out against the heteronuclear dipolar interaction to obtain information about the orientation of the shielding tensor in poly-(oxymethylene). Chapter 5 concentrates on the study of super-slow molecular motions in polymers using a variant of the 2D exchange experiment developed by us. Finally chapter 6 discusses a new experiment, 2D nutation NMR, which makes it possible to study the quadrupole interaction of half-integer spins. 230 refs.; 48 figs.; 8 tabs

  3. Three-dimensional surgical simulation.

    Science.gov (United States)

    Cevidanes, Lucia H C; Tucker, Scott; Styner, Martin; Kim, Hyungmin; Chapuis, Jonas; Reyes, Mauricio; Proffit, William; Turvey, Timothy; Jaskolka, Michael

    2010-09-01

    In this article, we discuss the development of methods for computer-aided jaw surgery, which allows us to incorporate the high level of precision necessary for transferring virtual plans into the operating room. We also present a complete computer-aided surgery system developed in close collaboration with surgeons. Surgery planning and simulation include construction of 3-dimensional surface models from cone-beam computed tomography, dynamic cephalometry, semiautomatic mirroring, interactive cutting of bone, and bony segment repositioning. A virtual setup can be used to manufacture positioning splints for intraoperative guidance. The system provides further intraoperative assistance with a computer display showing jaw positions and 3-dimensional positioning guides updated in real time during the surgical procedure. The computer-aided surgery system aids in dealing with complex cases with benefits for the patient, with surgical practice, and for orthodontic finishing. Advanced software tools for diagnosis and treatment planning allow preparation of detailed operative plans, osteotomy repositioning, bone reconstructions, surgical resident training, and assessing the difficulties of the surgical procedures before the surgery. Computer-aided surgery can make the elaboration of the surgical plan a more flexible process, increase the level of detail and accuracy of the plan, yield higher operative precision and control, and enhance documentation of cases. 2010 American Association of Orthodontists. Published by Mosby, Inc. All rights reserved.

  4. Two-dimensional turbulent convection

    Science.gov (United States)

    Mazzino, Andrea

    2017-11-01

    We present an overview of the most relevant, and sometimes contrasting, theoretical approaches to Rayleigh-Taylor and mean-gradient-forced Rayleigh-Bénard two-dimensional turbulence together with numerical and experimental evidences for their support. The main aim of this overview is to emphasize that, despite the different character of these two systems, especially in relation to their steadiness/unsteadiness, turbulent fluctuations are well described by the same scaling relationships originated from the Bolgiano balance. The latter states that inertial terms and buoyancy terms balance at small scales giving rise to an inverse kinetic energy cascade. The main difference with respect to the inverse energy cascade in hydrodynamic turbulence [R. H. Kraichnan, "Inertial ranges in two-dimensional turbulence," Phys. Fluids 10, 1417 (1967)] is that the rate of cascade of kinetic energy here is not constant along the inertial range of scales. Thanks to the absence of physical boundaries, the two systems here investigated turned out to be a natural physical realization of the Kraichnan scaling regime hitherto associated with the elusive "ultimate state of thermal convection" [R. H. Kraichnan, "Turbulent thermal convection at arbitrary Prandtl number," Phys. Fluids 5, 1374-1389 (1962)].

  5. Equilibrium: two-dimensional configurations

    International Nuclear Information System (INIS)

    Anon.

    1987-01-01

    In Chapter 6, the problem of toroidal force balance is addressed in the simplest, nontrivial two-dimensional geometry, that of an axisymmetric torus. A derivation is presented of the Grad-Shafranov equation, the basic equation describing axisymmetric toroidal equilibrium. The solutions to equations provide a complete description of ideal MHD equilibria: radial pressure balance, toroidal force balance, equilibrium Beta limits, rotational transform, shear, magnetic wall, etc. A wide number of configurations are accurately modeled by the Grad-Shafranov equation. Among them are all types of tokamaks, the spheromak, the reversed field pinch, and toroidal multipoles. An important aspect of the analysis is the use of asymptotic expansions, with an inverse aspect ratio serving as the expansion parameter. In addition, an equation similar to the Grad-Shafranov equation, but for helically symmetric equilibria, is presented. This equation represents the leading-order description low-Beta and high-Beta stellarators, heliacs, and the Elmo bumpy torus. The solutions all correspond to infinitely long straight helices. Bending such a configuration into a torus requires a full three-dimensional calculation and is discussed in Chapter 7

  6. Three-dimensional versus two-dimensional vision in laparoscopy

    DEFF Research Database (Denmark)

    Sørensen, Stine D; Savran, Mona Meral; Konge, Lars

    2016-01-01

    were cohort size and characteristics, skill trained or operation performed, instrument used, outcome measures, and conclusions. Two independent authors performed the search and data extraction. RESULTS: Three hundred and forty articles were screened for eligibility, and 31 RCTs were included...... through a two-dimensional (2D) projection on a monitor, which results in loss of depth perception. To counter this problem, 3D imaging for laparoscopy was developed. A systematic review of the literature was performed to assess the effect of 3D laparoscopy. METHODS: A systematic search of the literature...... in the review. Three trials were carried out in a clinical setting, and 28 trials used a simulated setting. Time was used as an outcome measure in all of the trials, and number of errors was used in 19 out of 31 trials. Twenty-two out of 31 trials (71 %) showed a reduction in performance time, and 12 out of 19...

  7. Evaluación de la gestión de los casos de incapacidad temporal por contingencia común de más de 15 días en Cataluña Evaluation of the management of nonwork-related sick leave lasting more than 15 days in Catalonia (Spain

    Directory of Open Access Journals (Sweden)

    Fernando G. Benavides

    2010-06-01

    Full Text Available Objetivos: Comparar la duración de los casos de incapacidad temporal por contingencia común gestionados por las mutuas con los gestionados por el Instituto Nacional de la Seguridad Social (INSS. Métodos: Cohorte retrospectiva de 289.686 casos de incapacidad de más de 15 días de duración iniciados en 2005 tras su certificación por un médico de primaria en Cataluña (156.676 gestionados por el INSS, registrados en el Institut Català d'Avaluacions Mèdiques, y seguidos hasta su alta. La duración mediana y los percentiles fueron calculados con el estimador de Wang-Chang, que tiene en cuenta los episodios repetidos (25% aproximadamente, y se compararon mediante un modelo de regresión log-logístico con fragilidad gamma compartida, lo que permite estimar la razón de tiempo (RT y su intervalo de confianza del 95% (IC95%. Resultados: La duración mediana fue de 43 días para los casos del INSS y de 39 para los de mutuas. Esta diferencia fue estadísticamente significativa para los hombres del régimen general (RT=0,87; IC95%: 0,85-0,88 y del régimen de autónomos (RT=0,78; IC95%: 0,75-0,80, y para las mujeres del régimen general (RT=0,85; IC95%: 0,84-0,87 y de autónomos (RT=0,84; IC95%: 0,81-0,88; diferencias que se mantienen en general después de ajustar por la edad y la región sanitaria. Conclusiones: Los resultados confirman una finalización de los episodios más rápida para los casos de más de 15 días de duración gestionados por una mutua que para los gestionados por el INSS, tanto aquellos del régimen general como de autónomos. Es necesario investigar las causas de estas diferencias.Objectives: To compare the length of nonwork-related sick leave among cases managed by an insurance company versus those managed by the National Institute of Social Security (NISS. Methods: We performed a retrospective cohort study of 289,686 cases of sick leave lasting for more than 15 days that began in 2005 after certification by a primary

  8. Multi-dimensional Fuzzy Euler Approximation

    Directory of Open Access Journals (Sweden)

    Yangyang Hao

    2017-05-01

    Full Text Available Multi-dimensional Fuzzy differential equations driven by multi-dimen-sional Liu process, have been intensively applied in many fields. However, we can not obtain the analytic solution of every multi-dimensional fuzzy differential equation. Then, it is necessary for us to discuss the numerical results in most situations. This paper focuses on the numerical method of multi-dimensional fuzzy differential equations. The multi-dimensional fuzzy Taylor expansion is given, based on this expansion, a numerical method which is designed for giving the solution of multi-dimensional fuzzy differential equation via multi-dimensional Euler method will be presented, and its local convergence also will be discussed.

  9. Topics in low-dimensional field theory

    International Nuclear Information System (INIS)

    Crescimanno, M.J.

    1991-01-01

    Conformal field theory is a natural tool for understanding two- dimensional critical systems. This work presents results in the lagrangian approach to conformal field theory. The first sections are chiefly about a particular class of field theories called coset constructions and the last part is an exposition of the connection between two-dimensional conformal theory and a three-dimensional gauge theory whose lagrangian is the Chern-Simons density

  10. Coset space dimensional reduction of gauge theories

    Energy Technology Data Exchange (ETDEWEB)

    Kapetanakis, D. (Physik Dept., Technische Univ. Muenchen, Garching (Germany)); Zoupanos, G. (CERN, Geneva (Switzerland))

    1992-10-01

    We review the attempts to construct unified theories defined in higher dimensions which are dimensionally reduced over coset spaces. We employ the coset space dimensional reduction scheme, which permits the detailed study of the resulting four-dimensional gauge theories. In the context of this scheme we present the difficulties and the suggested ways out in the attempts to describe the observed interactions in a realistic way. (orig.).

  11. Discrete symmetries and coset space dimensional reduction

    International Nuclear Information System (INIS)

    Kapetanakis, D.; Zoupanos, G.

    1989-01-01

    We consider the discrete symmetries of all the six-dimensional coset spaces and we apply them in gauge theories defined in ten dimensions which are dimensionally reduced over these homogeneous spaces. Particular emphasis is given in the consequences of the discrete symmetries on the particle content as well as on the symmetry breaking a la Hosotani of the resulting four-dimensional theory. (orig.)

  12. Coset space dimensional reduction of gauge theories

    International Nuclear Information System (INIS)

    Kapetanakis, D.; Zoupanos, G.

    1992-01-01

    We review the attempts to construct unified theories defined in higher dimensions which are dimensionally reduced over coset spaces. We employ the coset space dimensional reduction scheme, which permits the detailed study of the resulting four-dimensional gauge theories. In the context of this scheme we present the difficulties and the suggested ways out in the attempts to describe the observed interactions in a realistic way. (orig.)

  13. English Voicing in Dimensional Theory*

    Science.gov (United States)

    Iverson, Gregory K.; Ahn, Sang-Cheol

    2007-01-01

    Assuming a framework of privative features, this paper interprets two apparently disparate phenomena in English phonology as structurally related: the lexically specific voicing of fricatives in plural nouns like wives or thieves and the prosodically governed “flapping” of medial /t/ (and /d/) in North American varieties, which we claim is itself not a rule per se, but rather a consequence of the laryngeal weakening of fortis /t/ in interaction with speech-rate determined segmental abbreviation. Taking as our point of departure the Dimensional Theory of laryngeal representation developed by Avery & Idsardi (2001), along with their assumption that English marks voiceless obstruents but not voiced ones (Iverson & Salmons 1995), we find that an unexpected connection between fricative voicing and coronal flapping emerges from the interplay of familiar phonemic and phonetic factors in the phonological system. PMID:18496590

  14. Three-dimensional polarization algebra.

    Science.gov (United States)

    R Sheppard, Colin J; Castello, Marco; Diaspro, Alberto

    2016-10-01

    If light is focused or collected with a high numerical aperture lens, as may occur in imaging and optical encryption applications, polarization should be considered in three dimensions (3D). The matrix algebra of polarization behavior in 3D is discussed. It is useful to convert between the Mueller matrix and two different Hermitian matrices, representing an optical material or system, which are in the literature. Explicit transformation matrices for converting the column vector form of these different matrices are extended to the 3D case, where they are large (81×81) but can be generated using simple rules. It is found that there is some advantage in using a generalization of the Chandrasekhar phase matrix treatment, rather than that based on Gell-Mann matrices, as the resultant matrices are of simpler form and reduce to the two-dimensional case more easily. Explicit expressions are given for 3D complex field components in terms of Chandrasekhar-Stokes parameters.

  15. Gravastars with higher dimensional spacetimes

    Science.gov (United States)

    Ghosh, Shounak; Ray, Saibal; Rahaman, Farook; Guha, B. K.

    2018-07-01

    We present a new model of gravastar in the higher dimensional Einsteinian spacetime including Einstein's cosmological constant Λ. Following Mazur and Mottola (2001, 2004) we design the star with three specific regions, as follows: (I) Interior region, (II) Intermediate thin spherical shell and (III) Exterior region. The pressure within the interior region is equal to the negative matter density which provides a repulsive force over the shell. This thin shell is formed by ultra relativistic plasma, where the pressure is directly proportional to the matter-energy density which does counter balance the repulsive force from the interior whereas the exterior region is completely vacuum assumed to be de Sitter spacetime which can be described by the generalized Schwarzschild solution. With this specification we find out a set of exact non-singular and stable solutions of the gravastar which seems physically very interesting and reasonable.

  16. Classical Dimensional Transmutation and Confinement

    CERN Document Server

    Dvali, Gia; Mukhanov, Slava

    2011-01-01

    We observe that probing certain classical field theories by external sources uncovers the underlying renormalization group structure, including the phenomenon of dimensional transmutation, at purely-classical level. We perform this study on an example of $\\lambda\\phi^{4}$ theory and unravel asymptotic freedom and triviality for negative and positives signs of $\\lambda$ respectively. We derive exact classical $\\beta$ function equation. Solving this equation we find that an isolated source has an infinite energy and therefore cannot exist as an asymptotic state. On the other hand a dipole, built out of two opposite charges, has finite positive energy. At large separation the interaction potential between these two charges grows indefinitely as a distance in power one third.

  17. Two-dimensional quantum repeaters

    Science.gov (United States)

    Wallnöfer, J.; Zwerger, M.; Muschik, C.; Sangouard, N.; Dür, W.

    2016-11-01

    The endeavor to develop quantum networks gave rise to a rapidly developing field with far-reaching applications such as secure communication and the realization of distributed computing tasks. This ultimately calls for the creation of flexible multiuser structures that allow for quantum communication between arbitrary pairs of parties in the network and facilitate also multiuser applications. To address this challenge, we propose a two-dimensional quantum repeater architecture to establish long-distance entanglement shared between multiple communication partners in the presence of channel noise and imperfect local control operations. The scheme is based on the creation of self-similar multiqubit entanglement structures at growing scale, where variants of entanglement swapping and multiparty entanglement purification are combined to create high-fidelity entangled states. We show how such networks can be implemented using trapped ions in cavities.

  18. Three-dimensional aromatic networks.

    Science.gov (United States)

    Toyota, Shinji; Iwanaga, Tetsuo

    2014-01-01

    Three-dimensional (3D) networks consisting of aromatic units and linkers are reviewed from various aspects. To understand principles for the construction of such compounds, we generalize the roles of building units, the synthetic approaches, and the classification of networks. As fundamental compounds, cyclophanes with large aromatic units and aromatic macrocycles with linear acetylene linkers are highlighted in terms of transannular interactions between aromatic units, conformational preference, and resolution of chiral derivatives. Polycyclic cage compounds are constructed from building units by linkages via covalent bonds, metal-coordination bonds, or hydrogen bonds. Large cage networks often include a wide range of guest species in their cavity to afford novel inclusion compounds. Topological isomers consisting of two or more macrocycles are formed by cyclization of preorganized species. Some complicated topological networks are constructed by self-assembly of simple building units.

  19. Four Dimensional Trace Space Measurement

    Energy Technology Data Exchange (ETDEWEB)

    Hernandez, M.

    2005-02-10

    Future high energy colliders and FELs (Free Electron Lasers) such as the proposed LCLS (Linac Coherent Light Source) at SLAC require high brightness electron beams. In general a high brightness electron beam will contain a large number of electrons that occupy a short longitudinal duration, can be focused to a small transverse area while having small transverse divergences. Therefore the beam must have a high peak current and occupy small areas in transverse phase space and so have small transverse emittances. Additionally the beam should propagate at high energy and have a low energy spread to reduce chromatic effects. The requirements of the LCLS for example are pulses which contain 10{sup 10} electrons in a temporal duration of 10 ps FWHM with projected normalized transverse emittances of 1{pi} mm mrad[1]. Currently the most promising method of producing such a beam is the RF photoinjector. The GTF (Gun Test Facility) at SLAC was constructed to produce and characterize laser and electron beams which fulfill the LCLS requirements. Emittance measurements of the electron beam at the GTF contain evidence of strong coupling between the transverse dimensions of the beam. This thesis explores the effects of this coupling on the determination of the projected emittances of the electron beam. In the presence of such a coupling the projected normalized emittance is no longer a conserved quantity. The conserved quantity is the normalized full four dimensional phase space occupied by the beam. A method to determine the presence and evaluate the strength of the coupling in emittance measurements made in the laboratory is developed. A method to calculate the four dimensional volume the beam occupies in phase space using quantities available in the laboratory environment is also developed. Results of measurements made of the electron beam at the GTF that demonstrate these concepts are presented and discussed.

  20. ANÁLISIS DIMENSIONAL GENERALIZADO

    Directory of Open Access Journals (Sweden)

    Gabriel Poveda Ramos

    Full Text Available El artículo comienza por definir los conceptos de medición, medida, magnitud, dimensión, ilustrándolos con ejemplos. Además se mencionan magnitudes así definidas que se pueden identificar en el mundo de las Ciencias Sociales, las Ciencias Naturales, las Ciencias Humanas, además de las magnitudes que usualmente se aceptan en las Ciencias Físicas. Se corrigen conceptos equivocados sobre las dimensiones de magnitudes físicas como Fuerza, Ángulo plano, Magnetismo y Entropía, y se presentan otros conceptos que suelen ser ignorados en los libros de Física y las muchas magnitudes que son simplemente ignoradas en Ciencias Sociales y en Ciencias Naturales. Se pone de presente la naturaleza de Espacio Vectorial que tiene la clase de las magnitudes que aparecen en todas estas ciencias frente a la operación de composición interna entre magnitudes, y la de composición externa con la clase de los números racionales, y con un ejemplo tomado de la teoría de la Evaluación de Proyectos, se muestra la gran utilidad que aportan estos conceptos a la disciplina del Análisis Dimensional, como ocurre con el algoritmo de Lord Kelvin para la deducción de leyes cuantitativas para los fenómenos físicos, sociales, económicos y otros que son susceptibles de analizar con el Teorema Pi de Buckingham-Varschy y Ostrogradsky.

  1. Equivalence of two-dimensional gravities

    International Nuclear Information System (INIS)

    Mohammedi, N.

    1990-01-01

    The authors find the relationship between the Jackiw-Teitelboim model of two-dimensional gravity and the SL(2,R) induced gravity. These are shown to be related to a two-dimensional gauge theory obtained by dimensionally reducing the Chern-Simons action of the 2 + 1 dimensional gravity. The authors present an explicit solution to the equations of motion of the auxiliary field of the Jackiw-Teitelboim model in the light-cone gauge. A renormalization of the cosmological constant is also given

  2. Three-dimensional effects in fracture mechanics

    International Nuclear Information System (INIS)

    Benitez, F.G.

    1991-01-01

    An overall view of the pioneering theories and works, which enlighten the three-dimensional nature of fracture mechanics during the last years is given. the main aim is not an exhaustive reviewing but the displaying of the last developments on this scientific field in a natural way. This work attempts to envisage the limits of disregarding the three-dimensional behaviour in theories, analyses and experiments. Moreover, it tries to draw attention on the scant fervour, although increasing, this three-dimensional nature of fracture has among the scientific community. Finally, a constructive discussion is presented on the use of two-dimensional solutions in the analysis of geometries which bear a three-dimensional configuration. the static two-dimensional solutions and its applications fields are reviewed. also, the static three-dimensional solutions, wherein a comparative analysis with elastoplastic and elastostatic solutions are presented. to end up, the dynamic three-dimensional solutions are compared to the asymptotic two-dimensional ones under the practical applications point of view. (author)

  3. Dimensional analysis and group theory in astrophysics

    CERN Document Server

    Kurth, Rudolf

    2013-01-01

    Dimensional Analysis and Group Theory in Astrophysics describes how dimensional analysis, refined by mathematical regularity hypotheses, can be applied to purely qualitative physical assumptions. The book focuses on the continuous spectral of the stars and the mass-luminosity relationship. The text discusses the technique of dimensional analysis, covering both relativistic phenomena and the stellar systems. The book also explains the fundamental conclusion of dimensional analysis, wherein the unknown functions shall be given certain specified forms. The Wien and Stefan-Boltzmann Laws can be si

  4. Ultrahigh Resolution 3-Dimensional Imaging, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Southwest Sciences proposes to develop innovative instrumentation for the rapid, 3-dimensional imaging of biological tissues with cellular resolution. Our approach...

  5. Observation of Zero-Dimensional States in a One-Dimensional Electron Interferometer

    NARCIS (Netherlands)

    Wees, B.J. van; Kouwenhoven, L.P.; Harmans, C.J.P.M.; Williamson, J.G.; Timmering, C.E.; Broekaart, M.E.I.; Foxon, C.T.; Harris, J.J.

    1989-01-01

    We have studied the electron transport in a one-dimensional electron interferometer. It consists of a disk-shaped two-dimensional electron gas, to which quantum point contacts are attached. Discrete zero-dimensional states are formed due to constructive interference of electron waves traveling along

  6. Teleportation schemes in infinite dimensional Hilbert spaces

    International Nuclear Information System (INIS)

    Fichtner, Karl-Heinz; Freudenberg, Wolfgang; Ohya, Masanori

    2005-01-01

    The success of quantum mechanics is due to the discovery that nature is described in infinite dimension Hilbert spaces, so that it is desirable to demonstrate the quantum teleportation process in a certain infinite dimensional Hilbert space. We describe the teleportation process in an infinite dimensional Hilbert space by giving simple examples

  7. Topology optimization of two-dimensional waveguides

    DEFF Research Database (Denmark)

    Jensen, Jakob Søndergaard; Sigmund, Ole

    2003-01-01

    In this work we use the method of topology optimization to design two-dimensional waveguides with low transmission loss.......In this work we use the method of topology optimization to design two-dimensional waveguides with low transmission loss....

  8. Effects of phosphoramides on wood dimensional stability

    Science.gov (United States)

    Hong-Lin. Lee; George C. Chen; Roger M. Rowell

    2000-01-01

    To evaluate the dimensional stability of phosphoramide-reacted wood, wood was reacted with a mixture which was derived from compounding phosphorus pentoxide and each of 12 amines including alkyl, halophenyl, and phenyl amines in N,N-dimethylformamide. Dimensional stability of such reacted wood was analyzed by antishrink efficiency (ASE) using the water-soak method....

  9. Spinor calculus on 5-dimensional spacetimes

    International Nuclear Information System (INIS)

    Gomez-Lobo, Alfonso Garcia-Parrado; Martin-Garcia, Jose M

    2010-01-01

    We explain how Penrose's spinor calculus of 4-dimensional Lorentzian geometry is implemented in a 5-dimensional Lorentzian manifold. A number of issues, such as the essential spin algebra, the spin covariant derivative and the algebro-differential properties of the curvature spinors are discussed.

  10. Elastocapillary fabrication of three-dimensional microstructures

    NARCIS (Netherlands)

    van Honschoten, J.W.; Berenschot, Johan W.; Ondarcuhu, T.; Sanders, Remco G.P.; Sundaram, J.; Elwenspoek, Michael Curt; Tas, Niels Roelof

    2010-01-01

    We describe the fabrication of three-dimensional microstructures by means of capillary forces. Using an origami-like technique, planar silicon nitride structures of various geometries are folded to produce three-dimensional objects of 50–100 m. Capillarity is a particularly effective mechanism since

  11. Local duality for 2-dimensional local ring

    Indian Academy of Sciences (India)

    dimensional complete local ring whose residue field is an n-dimensional local field in the sense of. Kato–Parshin. Our results generalize the Saito works in the case n = 0 and are applied to study the Bloch–Ogus complex for such rings in various cases.

  12. Basic physics of one-dimensional metals

    International Nuclear Information System (INIS)

    Emery, V.J.

    1976-01-01

    Largely nonmathematical qualitative lectures are given on the basic physics of nearly one-dimensional conductors. The main emphasis is placed on the properties of a purely one-dimensional electron gas. The effects of a real system having interchain coupling, impurities, a compressible lattice, lattice distortions and phonon anomalies are discussed

  13. On dimensional reduction over coset spaces

    International Nuclear Information System (INIS)

    Kapetanakis, D.; Zoupanos, G.

    1990-01-01

    Gauge theories defined in higher dimensions can be dimensionally reduced over coset spaces giving definite predictions for the resulting four-dimensional theory. We present the most interesting features of these theories as well as an attempt to construct a model with realistic low energy behaviour within this framework. (author)

  14. Physics of low-dimensional systems

    International Nuclear Information System (INIS)

    Anon.

    1989-01-01

    The physics of low-dimensional systems has developed in a remarkable way over the last decade and has accelerated over the last few years, in particular because of the discovery of the new high temperature superconductors. The new developments started more than fifteen years ago with the discovery of the unexpected quasi-one-dimensional character of the TTF-TCNQ. Since then the field of conducting quasi-one-dimensional organic system have been rapidly growing. Parallel to the experimental work there has been an important theoretical development of great conceptual importance, such as charge density waves, soliton-like excitations, fractional charges, new symmetry properties etc. A new field of fundamental importance was the discovery of the Quantum Hall Effect in 1980. This field is still expanding with new experimental and theoretical discoveries. In 1986, then, came the totally unexpected discovery of high temperature superconductivity which started an explosive development. The three areas just mentioned formed the main themes of the Symposium. They do not in any way exhaust the progress in low-dimensional physics. We should mention the recent important development with both two-dimensional and one-dimensional and even zero-dimensional structures (quantum dots). The physics of mesoscopic systems is another important area where the low dimensionality is a key feature. Because of the small format of this Symposium we could unfortunately not cover these areas

  15. Piezoelectricity in Two-Dimensional Materials

    KAUST Repository

    Wu, Tao

    2015-02-25

    Powering up 2D materials: Recent experimental studies confirmed the existence of piezoelectricity - the conversion of mechanical stress into electricity - in two-dimensional single-layer MoS2 nanosheets. The results represent a milestone towards embedding low-dimensional materials into future disruptive technologies. © 2015 Wiley-VCH Verlag GmbH & Co. KGaA.

  16. Three-dimensional microbubble streaming flows

    Science.gov (United States)

    Rallabandi, Bhargav; Marin, Alvaro; Rossi, Massimiliano; Kaehler, Christian; Hilgenfeldt, Sascha

    2014-11-01

    Streaming due to acoustically excited bubbles has been used successfully for applications such as size-sorting, trapping and focusing of particles, as well as fluid mixing. Many of these applications involve the precise control of particle trajectories, typically achieved using cylindrical bubbles, which establish planar flows. Using astigmatic particle tracking velocimetry (APTV), we show that, while this two-dimensional picture is a useful description of the flow over short times, a systematic three-dimensional flow structure is evident over long time scales. We demonstrate that this long-time three-dimensional fluid motion can be understood through asymptotic theory, superimposing secondary axial flows (induced by boundary conditions at the device walls) onto the two-dimensional description. This leads to a general framework that describes three-dimensional flows in confined microstreaming systems, guiding the design of applications that profit from minimizing or maximizing these effects.

  17. Dimensional degression in AdSd

    International Nuclear Information System (INIS)

    Artsukevich, A. Yu.; Vasiliev, M. A.

    2009-01-01

    We analyze the pattern of fields in (d+1)-dimensional anti-de Sitter space in terms of those in d-dimensional anti-de Sitter space. The procedure, which is neither dimensional reduction nor dimensional compactification, is called dimensional degression. The analysis is performed group theoretically for all totally symmetric bosonic and fermionic representations of the anti-de Sitter algebra. The field-theoretical analysis is done for a massive scalar field in AdS d+d ' and massless spin-one-half, spin-one, and spin-two fields in AdS d+1 . The mass spectra of the resulting towers of fields in AdS d are found. For the scalar field case, the obtained results extend to the shadow sector those obtained by Metsaev [Nucl. Phys. B, Proc. Suppl. 102, 100 (2001)] by a different method.

  18. Three dimensional imaging of otoliths

    International Nuclear Information System (INIS)

    Barry, B.; Markwitz, A.; David, B.

    2008-01-01

    Otoliths are small structures in fish ears made of calcium carbonate which carry a record of the environment in which the fish live. Traditionally, in order to study their microchemistry by a scanning technique such as PIXE the otoliths have been either ground down by hand or thin sectioned to expose the otolith core. However this technique is subject to human error in judging the core position. In this study we have scanned successive layers of otoliths 50 and 100 μm apart by removing the otolith material in a lapping machine which can be set to a few μm precision. In one study by comparing data from otoliths from the two ears of a freshwater species we found that polishing by hand could miss the core and thus give misleading results as to the life cycle of the fish. In another example we showed detail in a marine species which could be used to build a three dimensional picture of the Sr distribution. (author)

  19. New four-dimensional symmetry

    International Nuclear Information System (INIS)

    Hsu, J.P.

    1976-01-01

    A new picture of nature is proposed in which there are only two fundamental universal constants anti e (identical with e/c) and dirac constant (identical with dirac constant/c). The theory is developed within the framework of a new four-dimensional symmetry which is constructed on the basis of the Poincare--Einstein principle of relativity for the laws of physics and the Newtonian concept of time. One obtains a new space--light transformation law, a velocity-addition law, and so on. In this symmetry scheme, the speed of light is constant and is completely relative. The new theory is logically self-consistent, and it moreover is in agreement with all previously established experimental facts, such as the ''lifetime dilatation'' of unstable particles, the Michelson--Morley experiment, etc. There is a difference relative to the usual theory, though, in that our theory predicts a new law for the Doppler frequency shift, which can be tested experimentally by measuring the second-order frequency shift

  20. The dimensionality of professional commitment

    Directory of Open Access Journals (Sweden)

    Jeffrey J. Bagraim

    2003-10-01

    Full Text Available This paper examines the dimensionality of professional commitment amongst a sample of 240 South African actuaries. Data were obtained, via a mailed questionnaire, from members of the South African Actuarial Society employed in the financial services industry. Statistical analysis conducted on the data showed that the 3-component model first proposed by Meyer, Allen and Smith (1993 is appropriate for understanding professional commitment amongst South African professionals. The analysis also showed that South African actuaries are highly committed to their profession. Opsomming Hierdie artikel ondersoek die dimensionaliteit van professionele toewyding by ‘n steekproef van 240 Suid-Afrikaanse aktuarisse. Die data is verkry deur ‘n posvraelys aan lede van die Suid-Afrikaanse Aktuariële Vereniging wat in die finansiële dienstesektor werksaam was. Statistiese ontledings wat uitgevoer is op die data dui aan dat die driekomponentmodel, aanvanklik voorgestel deur Meyer, Allen en Smith (1993, geskik is om professionele toewyding by Suid-Afrikaanse beroepslui te verstaan. Die ontleding dui verder aan dat Suid-Afrikaanse aktuarisse hoogs toegewyd is aan hulle professie.

  1. Three-Dimensional Rebar Graphene.

    Science.gov (United States)

    Sha, Junwei; Salvatierra, Rodrigo V; Dong, Pei; Li, Yilun; Lee, Seoung-Ki; Wang, Tuo; Zhang, Chenhao; Zhang, Jibo; Ji, Yongsung; Ajayan, Pulickel M; Lou, Jun; Zhao, Naiqin; Tour, James M

    2017-03-01

    Free-standing robust three-dimensional (3D) rebar graphene foams (GFs) were developed by a powder metallurgy template method with multiwalled carbon nanotubes (MWCNTs) as a reinforcing bar, sintered Ni skeletons as a template and catalyst, and sucrose as a solid carbon source. As a reinforcement and bridge between different graphene sheets and carbon shells, MWCNTs improved the thermostability, storage modulus (290.1 kPa) and conductivity (21.82 S cm -1 ) of 3D GF resulting in a high porosity and structurally stable 3D rebar GF. The 3D rebar GF can support >3150× the foam's weight with no irreversible height change, and shows only a ∼25% irreversible height change after loading >8500× the foam's weight. The 3D rebar GF also shows stable performance as a highly porous electrode in lithium ion capacitors (LICs) with an energy density of 32 Wh kg -1 . After 500 cycles of testing at a high current density of 6.50 mA cm -2 , the LIC shows 78% energy density retention. These properties indicate promising applications with 3D rebar GFs in devices requiring stable mechanical and electrochemical properties.

  2. Anomaly-specified virtual dimensionality

    Science.gov (United States)

    Chen, Shih-Yu; Paylor, Drew; Chang, Chein-I.

    2013-09-01

    Virtual dimensionality (VD) has received considerable interest where VD is used to estimate the number of spectral distinct signatures, denoted by p. Unfortunately, no specific definition is provided by VD for what a spectrally distinct signature is. As a result, various types of spectral distinct signatures determine different values of VD. There is no one value-fit-all for VD. In order to address this issue this paper presents a new concept, referred to as anomaly-specified VD (AS-VD) which determines the number of anomalies of interest present in the data. Specifically, two types of anomaly detection algorithms are of particular interest, sample covariance matrix K-based anomaly detector developed by Reed and Yu, referred to as K-RXD and sample correlation matrix R-based RXD, referred to as R-RXD. Since K-RXD is only determined by 2nd order statistics compared to R-RXD which is specified by statistics of the first two orders including sample mean as the first order statistics, the values determined by K-RXD and R-RXD will be different. Experiments are conducted in comparison with widely used eigen-based approaches.

  3. 4+ Dimensional nuclear systems engineering

    International Nuclear Information System (INIS)

    Suh, Kune Y.

    2009-01-01

    Nuclear power plants (NPPs) require massive quantity of data during the design, construction, operation, maintenance and decommissioning stages because of their special features like size, cost, radioactivity, and so forth. The system engineering thus calls for a fully integrated way of managing the information flow spanning their life cycle. This paper proposes digital systems engineering anchored in three dimensional (3D) computer aided design (CAD) models. The signature in the proposal lies with the four plus dimensional (4 + D) Technology TM , a critical know how for digital management. ESSE (Engineering Super Simulation Emulation) features a 4 + D Technology TM for nuclear energy systems engineering. The technology proposed in the 3D space and time plus cost coordinates, i.e. 4 + D, is the backbone of digital engineering in the nuclear systems design and management. Dased on an integrated 3D configuration management system, ESSE consists of solutions JANUS (Junctional Analysis Neodynamic Unit SoftPower), EURUS (Engineering Utilities Research Unit SoftPower), NOTUS (Neosystemic Optimization Technical Unit SoftPower), VENUS (Virtual Engineering Neocybernetic Unit SoftPower) and INUUS (Informative Neographic Utilities Unit SoftPower). NOTUS contributes to reducing the construction cost of the NPPs by optimizing the component manufacturing procedure and the plant construction process. Planning and scheduling construction projects can thus benefit greatly by integrating traditional management techniques with digital process simulation visualization. The 3D visualization of construction processes and the resulting products intrinsically afford most of the advantages realized by incorporating a purely schedule level detail based the 4 + D system. Problems with equipment positioning and manpower congestion in certain areas can be visualized prior to the actual operation, thus preventing accidents and safety problems such as collision between two machines and losses in

  4. Computational Dimensionalities of Global Supercomputing

    Directory of Open Access Journals (Sweden)

    Richard S. Segall

    2013-12-01

    Full Text Available This Invited Paper pertains to subject of my Plenary Keynote Speech at the 17th World Multi-Conference on Systemics, Cybernetics and Informatics (WMSCI 2013 held in Orlando, Florida on July 9-12, 2013. The title of my Plenary Keynote Speech was: "Dimensionalities of Computation: from Global Supercomputing to Data, Text and Web Mining" but this Invited Paper will focus only on the "Computational Dimensionalities of Global Supercomputing" and is based upon a summary of the contents of several individual articles that have been previously written with myself as lead author and published in [75], [76], [77], [78], [79], [80] and [11]. The topics of these of the Plenary Speech included Overview of Current Research in Global Supercomputing [75], Open-Source Software Tools for Data Mining Analysis of Genomic and Spatial Images using High Performance Computing [76], Data Mining Supercomputing with SAS™ JMP® Genomics ([77], [79], [80], and Visualization by Supercomputing Data Mining [81]. ______________________ [11.] Committee on the Future of Supercomputing, National Research Council (2003, The Future of Supercomputing: An Interim Report, ISBN-13: 978-0-309-09016- 2, http://www.nap.edu/catalog/10784.html [75.] Segall, Richard S.; Zhang, Qingyu and Cook, Jeffrey S.(2013, "Overview of Current Research in Global Supercomputing", Proceedings of Forty- Fourth Meeting of Southwest Decision Sciences Institute (SWDSI, Albuquerque, NM, March 12-16, 2013. [76.] Segall, Richard S. and Zhang, Qingyu (2010, "Open-Source Software Tools for Data Mining Analysis of Genomic and Spatial Images using High Performance Computing", Proceedings of 5th INFORMS Workshop on Data Mining and Health Informatics, Austin, TX, November 6, 2010. [77.] Segall, Richard S., Zhang, Qingyu and Pierce, Ryan M.(2010, "Data Mining Supercomputing with SAS™ JMP®; Genomics: Research-in-Progress, Proceedings of 2010 Conference on Applied Research in Information Technology, sponsored by

  5. Dimensional analysis, scaling and fractals

    International Nuclear Information System (INIS)

    Timm, L.C.; Reichardt, K.; Oliveira Santos Bacchi, O.

    2004-01-01

    Dimensional analysis refers to the study of the dimensions that characterize physical entities, like mass, force and energy. Classical mechanics is based on three fundamental entities, with dimensions MLT, the mass M, the length L and the time T. The combination of these entities gives rise to derived entities, like volume, speed and force, of dimensions L 3 , LT -1 , MLT -2 , respectively. In other areas of physics, four other fundamental entities are defined, among them the temperature θ and the electrical current I. The parameters that characterize physical phenomena are related among themselves by laws, in general of quantitative nature, in which they appear as measures of the considered physical entities. The measure of an entity is the result of its comparison with another one, of the same type, called unit. Maps are also drawn in scale, for example, in a scale of 1:10,000, 1 cm 2 of paper can represent 10,000 m 2 in the field. Entities that differ in scale cannot be compared in a simple way. Fractal geometry, in contrast to the Euclidean geometry, admits fractional dimensions. The term fractal is defined in Mandelbrot (1982) as coming from the Latin fractus, derived from frangere which signifies to break, to form irregular fragments. The term fractal is opposite to the term algebra (from the Arabic: jabara) which means to join, to put together the parts. For Mandelbrot, fractals are non topologic objects, that is, objects which have as their dimension a real, non integer number, which exceeds the topologic dimension. For the topologic objects, or Euclidean forms, the dimension is an integer (0 for the point, 1 for a line, 2 for a surface, and 3 for a volume). The fractal dimension of Mandelbrot is a measure of the degree of irregularity of the object under consideration. It is related to the speed by which the estimate of the measure of an object increases as the measurement scale decreases. An object normally taken as uni-dimensional, like a piece of a

  6. CLASSIFICATION OF 4-DIMENSIONAL GRADED ALGEBRAS

    OpenAIRE

    Armour, Aaron; Chen, Hui-Xiang; ZHANG, Yinhuo

    2009-01-01

    Let k be an algebraically closed field. The algebraic and geometric classification of finite dimensional algebras over k with ch(k) not equal 2 was initiated by Gabriel in [6], where a complete list of nonisomorphic 4-dimensional k-algebras was given and the number of irreducible components of the variety Alg(4) was discovered to be 5. The classification of 5-dimensional k-algebras was done by Mazzola in [10]. The number of irreducible components of the variety Alg(5) is 10. With the dimensio...

  7. Lyapunov exponents for infinite dimensional dynamical systems

    Science.gov (United States)

    Mhuiris, Nessan Mac Giolla

    1987-01-01

    Classically it was held that solutions to deterministic partial differential equations (i.e., ones with smooth coefficients and boundary data) could become random only through one mechanism, namely by the activation of more and more of the infinite number of degrees of freedom that are available to such a system. It is only recently that researchers have come to suspect that many infinite dimensional nonlinear systems may in fact possess finite dimensional chaotic attractors. Lyapunov exponents provide a tool for probing the nature of these attractors. This paper examines how these exponents might be measured for infinite dimensional systems.

  8. Study on three dimensional seismic isolation system

    International Nuclear Information System (INIS)

    Morishita, Masaki; Kitamura, Seiji

    2003-01-01

    Japan Nuclear Cycle Development Institute (JNC) and Japan Atomic Power Company (JAPC) launched joint research programs on structural design and three-dimensional seismic isolation technologies, as part of the supporting R and D activities for the feasibility studies on commercialized fast breeder reactor cycle systems. A research project by JAPC under the auspices of the Ministry of Economy, Trade, and Industry (METI) with technical support by JNC is included in this joint study. This report contains the results of the research on the three-dimensional seismic isolation technologies, and the results of this year's study are summarized in the following five aspects. (1) Study on Earthquake Condition for Developing 3-dimensional Base Isolation System. The case study S2 is one of the maximum ground motions, of which the records were investigated up to this time. But a few observed near the fault exceed the case study S2 in the long period domain, depending on the fault length and conditions. Generally it is appropriate that the response spectra ratio (vertical/horizontal) is 0.6. (2) Performance Requirement for 3-dimensional Base Isolation System and Devices. Although the integrity map of main equipment/piping dominate the design criteria for the 3-dimensional base isolation system, the combined integrity map is the same as those of FY 2000, which are under fv=1Hz and over hv=20%. (3) Developing Targets and Schedule for 3-dimensional Isolation Technology. The target items for 3-dimensional base isolation system were rearranged into a table, and developing items to be examined concerning the device were also adjusted. A development plan until FY 2009 was made from the viewpoint of realization and establishment of a design guideline on 3-dimensional base isolation system. (4) Study on 3-dimensional Entire Building Base Isolation System. Three ideas among six ideas that had been proposed in FY2001, i.e., '3-dimensional base isolation system incorporating hydraulic

  9. Alternative dimensional models of personality disorder

    DEFF Research Database (Denmark)

    Widiger, Thomas A; Simonsen, Erik

    2005-01-01

    The recognition of the many limitations of the categorical model of personality disorder classification has led to the development of quite a number of alternative proposals for a dimensional classification. The purpose of this article is to suggest that future research work toward the integration...... of these alternative proposals within a common hierarchical structure. An illustration of a potential integration is provided using the constructs assessed within existing dimensional models. Suggestions for future research that will help lead toward a common, integrative dimensional model of personality disorder...

  10. Optical properties of low-dimensional materials

    CERN Document Server

    Ogawa, T

    1998-01-01

    This book surveys recent theoretical and experimental studies of optical properties of low-dimensional materials. As an extended version of Optical Properties of Low-Dimensional Materials (Volume 1, published in 1995 by World Scientific), Volume 2 covers a wide range of interesting low-dimensional materials including both inorganic and organic systems, such as disordered polymers, deformable molecular crystals, dilute magnetic semiconductors, SiGe/Si short-period superlattices, GaAs quantum wires, semiconductor microcavities, and photonic crystals. There are excellent review articles by promis

  11. Perspective of Dimensional Analysis in Medical Science

    Directory of Open Access Journals (Sweden)

    Kowalewski Wojciech

    2017-09-01

    Full Text Available This paper presents several applications of the dimensional analysis method to problems investigated in medical sciences. The method is used to analyze various complex processes without using formal laws governing the same. It is particularly suitable for a general analysis of fluid transfer (liquids and gases in the human body. This paper mainly serves as an overview of selected applications, mostly those emerging in the recent years, and includes a discussion of the mathematical fundamentals of dimensional analysis together followed by its critical analysis. Containing detailed calculations of two examples, the paper also serves as training material in the area of the computational method of the dimensional analysis algorithm.

  12. Multi-dimensional Laplace transforms and applications

    International Nuclear Information System (INIS)

    Mughrabi, T.A.

    1988-01-01

    In this dissertation we establish new theorems for computing certain types of multidimensional Laplace transform pairs from known one-dimensional Laplace transforms. The theorems are applied to the most commonly used special functions and so we obtain many two and three dimensional Laplace transform pairs. As applications, some boundary value problems involving linear partial differential equations are solved by the use of multi-dimensional Laplace transformation. Also we establish some relations between the Laplace transformation and other integral transformation in two variables

  13. A Multi-layer Hybrid Framework for Dimensional Emotion Classification

    NARCIS (Netherlands)

    Nicolaou, Mihalis A.; Gunes, Hatice; Pantic, Maja

    2011-01-01

    This paper investigates dimensional emotion prediction and classification from naturalistic facial expressions. Similarly to many pattern recognition problems, dimensional emotion classification requires generating multi-dimensional outputs. To date, classification for valence and arousal dimensions

  14. A student's guide to dimensional analysis

    CERN Document Server

    Lemons, Don S

    2017-01-01

    This introduction to dimensional analysis covers the methods, history and formalisation of the field, and provides physics and engineering applications. Covering topics from mechanics, hydro- and electrodynamics to thermal and quantum physics, it illustrates the possibilities and limitations of dimensional analysis. Introducing basic physics and fluid engineering topics through the mathematical methods of dimensional analysis, this book is perfect for students in physics, engineering and mathematics. Explaining potentially unfamiliar concepts such as viscosity and diffusivity, the text includes worked examples and end-of-chapter problems with answers provided in an accompanying appendix, which help make it ideal for self-study. Long-standing methodological problems arising in popular presentations of dimensional analysis are also identified and solved, making the book a useful text for advanced students and professionals.

  15. Two-dimensional confinement of heavy fermions

    International Nuclear Information System (INIS)

    Shishido, Hiroaki; Shibauchi, Takasada; Matsuda, Yuji; Terashima, Takahito

    2010-01-01

    Metallic systems with the strongest electron correlations are realized in certain rare-earth and actinide compounds whose physics are dominated by f-electrons. These materials are known as heavy fermions, so called because the effective mass of the conduction electrons is enhanced via correlation effects up to as much as several hundreds times the free electron mass. To date the electronic structure of all heavy-fermion compounds is essentially three-dimensional. Here we report on the first realization of a two-dimensional heavy-fermion system, where the dimensionality is adjusted in a controllable fashion by fabricating heterostructures using molecular beam epitaxy. The two-dimensional heavy fermion system displays striking deviations from the standard Fermi liquid low-temperature electronic properties. (author)

  16. Two multi-dimensional uncertainty relations

    International Nuclear Information System (INIS)

    Skala, L; Kapsa, V

    2008-01-01

    Two multi-dimensional uncertainty relations, one related to the probability density and the other one related to the probability density current, are derived and discussed. Both relations are stronger than the usual uncertainty relations for the coordinates and momentum

  17. Three dimensional visualization of medical images

    International Nuclear Information System (INIS)

    Suto, Yasuzo

    1992-01-01

    Three dimensional visualization is a stereoscopic technique that allows the diagnosis and treatment of complicated anatomy site of the bone and organ. In this article, the current status and technical application of three dimensional visualization are introduced with special reference to X-ray CT and MRI. The surface display technique is the most common for three dimensional visualization, consisting of geometric model, voxel element, and stereographic composition techniques. Recent attention has been paid to display method of the content of the subject called as volume rendering, whereby information on the living body is provided accurately. The application of three dimensional visualization is described in terms of diagnostic imaging and surgical simulation. (N.K.)

  18. Piezoelectricity in Two-Dimensional Materials

    KAUST Repository

    Wu, Tao; Zhang, Hua

    2015-01-01

    Powering up 2D materials: Recent experimental studies confirmed the existence of piezoelectricity - the conversion of mechanical stress into electricity - in two-dimensional single-layer MoS2 nanosheets. The results represent a milestone towards

  19. three dimensional photoelastic investigations on thick rectangular

    African Journals Online (AJOL)

    user

    1983-09-01

    Sep 1, 1983 ... Thick rectangular plates are investigated by means of three-dimensional photoelasticity ... a thin plate theory and a higher order thick plate theory. 1. ..... number of fringes lest the accuracy of the results will be considerably.

  20. Quantum Phenomena in Low-Dimensional Systems

    OpenAIRE

    Geller, Michael R.

    2001-01-01

    A brief summary of the physics of low-dimensional quantum systems is given. The material should be accessible to advanced physics undergraduate students. References to recent review articles and books are provided when possible.

  1. SNAP - a three dimensional neutron diffusion code

    International Nuclear Information System (INIS)

    McCallien, C.W.J.

    1993-02-01

    This report describes a one- two- three-dimensional multi-group diffusion code, SNAP, which is primarily intended for neutron diffusion calculations but can also carry out gamma calculations if the diffusion approximation is accurate enough. It is suitable for fast and thermal reactor core calculations and for shield calculations. SNAP can solve the multi-group neutron diffusion equations using finite difference methods. The one-dimensional slab, cylindrical and spherical geometries and the two-dimensional case are all treated as simple special cases of three-dimensional geometries. Numerous reflective and periodic symmetry options are available and may be used to reduce the number of mesh points necessary to represent the system. Extrapolation lengths can be specified at internal and external boundaries. (Author)

  2. Construction of two-dimensional quantum chromodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Klimek, S.; Kondracki, W.

    1987-12-01

    We present a sketch of the construction of the functional measure for the SU(2) quantum chromodynamics with one generation of fermions in two-dimensional space-time. The method is based on a detailed analysis of Wilson loops.

  3. Higher dimensional homogeneous cosmology in Lyra geometry

    Indian Academy of Sciences (India)

    1Department of Mathematics, Jadavpur University, Kolkata 700 032, India. 2Khodar ... 1. Introduction. The idea of higher dimensional theory was originated in super string and super gravity .... Equation (7) can easily be integrated to obtain.

  4. Higher-dimensional relativistic-fluid spheres

    International Nuclear Information System (INIS)

    Patel, L. K.; Ahmedabad, Gujarat Univ.

    1997-01-01

    They consider the hydrostatic equilibrium of relativistic-fluid spheres for a D-dimensional space-time. Three physically viable interior solutions of the Einstein field equations corresponding to perfect-fluid spheres in a D-dimensional space-time are obtained. When D = 4 they reduce to the Tolman IV solution, the Mehra solution and the Finch-Skea solution. The solutions are smoothly matched with the D-dimensional Schwarzschild exterior solution at the boundary r = a of the fluid sphere. Some physical features and other related details of the solutions are briefly discussed. A brief description of two other new solutions for higher-dimensional perfect-fluid spheres is also given

  5. Modeling High-Dimensional Multichannel Brain Signals

    KAUST Repository

    Hu, Lechuan; Fortin, Norbert J.; Ombao, Hernando

    2017-01-01

    aspects: first, there are major statistical and computational challenges for modeling and analyzing high-dimensional multichannel brain signals; second, there is no set of universally agreed measures for characterizing connectivity. To model multichannel

  6. Two-dimensional nuclear magnetic resonance spectroscopy

    International Nuclear Information System (INIS)

    Bax, A.; Lerner, L.

    1986-01-01

    Great spectral simplification can be obtained by spreading the conventional one-dimensional nuclear magnetic resonance (NMR) spectrum in two independent frequency dimensions. This so-called two-dimensional NMR spectroscopy removes spectral overlap, facilitates spectral assignment, and provides a wealth of additional information. For example, conformational information related to interproton distances is available from resonance intensities in certain types of two-dimensional experiments. Another method generates 1 H NMR spectra of a preselected fragment of the molecule, suppressing resonances from other regions and greatly simplifying spectral appearance. Two-dimensional NMR spectroscopy can also be applied to the study of 13 C and 15 N, not only providing valuable connectivity information but also improving sensitivity of 13 C and 15 N detection by up to two orders of magnitude. 45 references, 10 figures

  7. Development of Two-Dimensional NMR

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 20; Issue 11. Development of Two-Dimensional NMR: Strucure Determination of Biomolecules in Solution. Anil Kumar. General Article Volume 20 Issue 11 November 2015 pp 995-1002 ...

  8. One-Dimensional Czedli-Type Islands

    Science.gov (United States)

    Horvath, Eszter K.; Mader, Attila; Tepavcevic, Andreja

    2011-01-01

    The notion of an island has surfaced in recent algebra and coding theory research. Discrete versions provide interesting combinatorial problems. This paper presents the one-dimensional case with finitely many heights, a topic convenient for student research.

  9. High dimensional neurocomputing growth, appraisal and applications

    CERN Document Server

    Tripathi, Bipin Kumar

    2015-01-01

    The book presents a coherent understanding of computational intelligence from the perspective of what is known as "intelligent computing" with high-dimensional parameters. It critically discusses the central issue of high-dimensional neurocomputing, such as quantitative representation of signals, extending the dimensionality of neuron, supervised and unsupervised learning and design of higher order neurons. The strong point of the book is its clarity and ability of the underlying theory to unify our understanding of high-dimensional computing where conventional methods fail. The plenty of application oriented problems are presented for evaluating, monitoring and maintaining the stability of adaptive learning machine. Author has taken care to cover the breadth and depth of the subject, both in the qualitative as well as quantitative way. The book is intended to enlighten the scientific community, ranging from advanced undergraduates to engineers, scientists and seasoned researchers in computational intelligenc...

  10. Three-dimensional tori and Arnold tongues

    Energy Technology Data Exchange (ETDEWEB)

    Sekikawa, Munehisa, E-mail: sekikawa@cc.utsunomiya-u.ac.jp [Department of Mechanical and Intelligent Engineering, Utsunomiya University, Utsunomiya-shi 321-8585 (Japan); Inaba, Naohiko [Organization for the Strategic Coordination of Research and Intellectual Property, Meiji University, Kawasaki-shi 214-8571 (Japan); Kamiyama, Kyohei [Department of Electronics and Bioinformatics, Meiji University, Kawasaki-shi 214-8571 (Japan); Aihara, Kazuyuki [Institute of Industrial Science, the University of Tokyo, Meguro-ku 153-8505 (Japan)

    2014-03-15

    This study analyzes an Arnold resonance web, which includes complicated quasi-periodic bifurcations, by conducting a Lyapunov analysis for a coupled delayed logistic map. The map can exhibit a two-dimensional invariant torus (IT), which corresponds to a three-dimensional torus in vector fields. Numerous one-dimensional invariant closed curves (ICCs), which correspond to two-dimensional tori in vector fields, exist in a very complicated but reasonable manner inside an IT-generating region. Periodic solutions emerge at the intersections of two different thin ICC-generating regions, which we call ICC-Arnold tongues, because all three independent-frequency components of the IT become rational at the intersections. Additionally, we observe a significant bifurcation structure where conventional Arnold tongues transit to ICC-Arnold tongues through a Neimark-Sacker bifurcation in the neighborhood of a quasi-periodic Hopf bifurcation (or a quasi-periodic Neimark-Sacker bifurcation) boundary.

  11. Analytical solution of one dimensional temporally dependent ...

    African Journals Online (AJOL)

    user

    transfer of heat in fluids, flow through porous media, and the spread of ... In present paper, advection-dispersion equation is considered one dimensional longitudinal initially solute free semi- .... free. Thus initial and boundary conditions for eq.

  12. Multichannel transfer function with dimensionality reduction

    KAUST Repository

    Kim, Han Suk; Schulze, Jü rgen P.; Cone, Angela C.; Sosinsky, Gina E.; Martone, Maryann E.

    2010-01-01

    . Our new method provides a framework to combine multiple approaches and pushes the boundary of gradient-based transfer functions to multiple channels, while still keeping the dimensionality of transfer functions to a manageable level, i.e., a maximum

  13. Factorizations of one-dimensional classical systems

    International Nuclear Information System (INIS)

    Kuru, Senguel; Negro, Javier

    2008-01-01

    A class of one-dimensional classical systems is characterized from an algebraic point of view. The Hamiltonians of these systems are factorized in terms of two functions that together with the Hamiltonian itself close a Poisson algebra. These two functions lead directly to two time-dependent integrals of motion from which the phase motions are derived algebraically. The systems so obtained constitute the classical analogues of the well known factorizable one-dimensional quantum mechanical systems

  14. One-dimensional photonic crystal design

    International Nuclear Information System (INIS)

    Mee, Cornelis van der; Contu, Pietro; Pintus, Paolo

    2010-01-01

    In this article we present a method to determine the band spectrum, band gaps, and discrete energy levels, of a one-dimensional photonic crystal with localized impurities. For one-dimensional crystals with piecewise constant refractive indices we develop an algorithm to recover the refractive index distribution from the period map. Finally, we derive the relationship between the period map and the scattering matrix containing the information on the localized modes.

  15. Stochastic confinement and dimensional reduction. 1

    International Nuclear Information System (INIS)

    Ambjoern, J.; Olesen, P.; Peterson, C.

    1984-03-01

    By Monte Carlo calculations on a 16 4 lattice the authors investigate four dimensional SU(2) lattice guage theory with respect to the conjecture that at large distances this theory reduces approximately to two dimensional SU(2) lattice gauge theory. Good numerical evidence is found for this conjecture. As a by-product the SU(2) string tension is also measured and good agreement is found with scaling. The 'adjoint string tension' is also found to have a reasonable scaling behaviour. (Auth.)

  16. Three dimensional diffusion calculations of nuclear reactors

    International Nuclear Information System (INIS)

    Caspo, N.

    1981-07-01

    This work deals with the three dimensional calculation of nuclear reactors using the code TRITON. The purposes of the work were to perform three-dimensional computations of the core of the Soreq nuclear reactor and of the power reactor ZION and to validate the TRITON code. Possible applications of the TRITON code in Soreq reactor calculations and in power reactor research are suggested. (H.K.)

  17. Stochastic confinement and dimensional reduction. Pt. 1

    International Nuclear Information System (INIS)

    Ambjoern, J.; Olesen, P.; Peterson, C.

    1984-01-01

    By Monte Carlo calculations on a 12 4 lattice we investigate four-dimensional SU(2) lattice gauge theory with respect to the conjecture that at large distances this theory reduces approximately to two-dimensional SU(2) lattice gauge theory. We find good numerical evidence for this conjecture. As a by-product we also measure the SU(2) string tension and find reasonable agreement with scaling. The 'adjoint string tension' is also found to have a reasonable scaling behaviour. (orig.)

  18. Fractional supersymmetry and infinite dimensional lie algebras

    International Nuclear Information System (INIS)

    Rausch de Traubenberg, M.

    2001-01-01

    In an earlier work extensions of supersymmetry and super Lie algebras were constructed consistently starting from any representation D of any Lie algebra g. Here it is shown how infinite dimensional Lie algebras appear naturally within the framework of fractional supersymmetry. Using a differential realization of g this infinite dimensional Lie algebra, containing the Lie algebra g as a sub-algebra, is explicitly constructed

  19. Phase transitions in two-dimensional systems

    International Nuclear Information System (INIS)

    Salinas, S.R.A.

    1983-01-01

    Some experiences are related using synchrotron radiation beams, to characterize solid-liquid (fusion) and commensurate solid-uncommensurate solid transitions in two-dimensional systems. Some ideas involved in the modern theories of two-dimensional fusion are shortly exposed. The systems treated consist of noble gases (Kr,Ar,Xe) adsorbed in the basal plane of graphite and thin films formed by some liquid crystal shells. (L.C.) [pt

  20. Three-dimensional echocardiography of normal and pathologic mitral valve: a comparison with two-dimensional transesophageal echocardiography

    NARCIS (Netherlands)

    Salustri, A.; Becker, A. E.; van Herwerden, L.; Vletter, W. B.; ten Cate, F. J.; Roelandt, J. R.

    1996-01-01

    This study was done to ascertain whether three-dimensional echocardiography can facilitate the diagnosis of mitral valve abnormalities. The value of the additional information provided by three-dimensional echocardiography compared with two-dimensional multiplane transesophageal echocardiography for

  1. Relativity and the dimensionality of the world

    CERN Document Server

    2007-01-01

    All physicists would agree that one of the most fundamental problems of the 21st century physics is the dimensionality of the world. In the four-dimensional world of Minkowski (or Minkowski spacetime) the most challenging problem is the nature of the temporal dimension. In Minkowski spacetime it is merely one of the four dimensions, which means that it is entirely given like the other three spacial dimensions. If the temporal dimension were not given in its entirety and only one constantly changing moment of it existed, Minkowski spacetime would be reduced to the ordinary three-dimensional space. But if the physical world, represented by Minkowski spacetime, is indeed four-dimensional with time being the fourth dimension, then such a world is drastically different from its image based on our perceptions. Minkowski four-dimensional world is a block Universe, a frozen world in which nothing happens since all moments of time are given ‘at once', which means that physical bodies are four-dimensional worldtubes ...

  2. Central subspace dimensionality reduction using covariance operators.

    Science.gov (United States)

    Kim, Minyoung; Pavlovic, Vladimir

    2011-04-01

    We consider the task of dimensionality reduction informed by real-valued multivariate labels. The problem is often treated as Dimensionality Reduction for Regression (DRR), whose goal is to find a low-dimensional representation, the central subspace, of the input data that preserves the statistical correlation with the targets. A class of DRR methods exploits the notion of inverse regression (IR) to discover central subspaces. Whereas most existing IR techniques rely on explicit output space slicing, we propose a novel method called the Covariance Operator Inverse Regression (COIR) that generalizes IR to nonlinear input/output spaces without explicit target slicing. COIR's unique properties make DRR applicable to problem domains with high-dimensional output data corrupted by potentially significant amounts of noise. Unlike recent kernel dimensionality reduction methods that employ iterative nonconvex optimization, COIR yields a closed-form solution. We also establish the link between COIR, other DRR techniques, and popular supervised dimensionality reduction methods, including canonical correlation analysis and linear discriminant analysis. We then extend COIR to semi-supervised settings where many of the input points lack their labels. We demonstrate the benefits of COIR on several important regression problems in both fully supervised and semi-supervised settings.

  3. On infinite-dimensional state spaces

    International Nuclear Information System (INIS)

    Fritz, Tobias

    2013-01-01

    It is well known that the canonical commutation relation [x, p]=i can be realized only on an infinite-dimensional Hilbert space. While any finite set of experimental data can also be explained in terms of a finite-dimensional Hilbert space by approximating the commutation relation, Occam's razor prefers the infinite-dimensional model in which [x, p]=i holds on the nose. This reasoning one will necessarily have to make in any approach which tries to detect the infinite-dimensionality. One drawback of using the canonical commutation relation for this purpose is that it has unclear operational meaning. Here, we identify an operationally well-defined context from which an analogous conclusion can be drawn: if two unitary transformations U, V on a quantum system satisfy the relation V −1 U 2 V=U 3 , then finite-dimensionality entails the relation UV −1 UV=V −1 UVU; this implication strongly fails in some infinite-dimensional realizations. This is a result from combinatorial group theory for which we give a new proof. This proof adapts to the consideration of cases where the assumed relation V −1 U 2 V=U 3 holds only up to ε and then yields a lower bound on the dimension.

  4. On infinite-dimensional state spaces

    Science.gov (United States)

    Fritz, Tobias

    2013-05-01

    It is well known that the canonical commutation relation [x, p] = i can be realized only on an infinite-dimensional Hilbert space. While any finite set of experimental data can also be explained in terms of a finite-dimensional Hilbert space by approximating the commutation relation, Occam's razor prefers the infinite-dimensional model in which [x, p] = i holds on the nose. This reasoning one will necessarily have to make in any approach which tries to detect the infinite-dimensionality. One drawback of using the canonical commutation relation for this purpose is that it has unclear operational meaning. Here, we identify an operationally well-defined context from which an analogous conclusion can be drawn: if two unitary transformations U, V on a quantum system satisfy the relation V-1U2V = U3, then finite-dimensionality entails the relation UV-1UV = V-1UVU; this implication strongly fails in some infinite-dimensional realizations. This is a result from combinatorial group theory for which we give a new proof. This proof adapts to the consideration of cases where the assumed relation V-1U2V = U3 holds only up to ɛ and then yields a lower bound on the dimension.

  5. Three-Dimensional Messages for Interstellar Communication

    Science.gov (United States)

    Vakoch, Douglas A.

    One of the challenges facing independently evolved civilizations separated by interstellar distances is to communicate information unique to one civilization. One commonly proposed solution is to begin with two-dimensional pictorial representations of mathematical concepts and physical objects, in the hope that this will provide a foundation for overcoming linguistic barriers. However, significant aspects of such representations are highly conventional, and may not be readily intelligible to a civilization with different conventions. The process of teaching conventions of representation may be facilitated by the use of three-dimensional representations redundantly encoded in multiple formats (e.g., as both vectors and as rasters). After having illustrated specific conventions for representing mathematical objects in a three-dimensional space, this method can be used to describe a physical environment shared by transmitter and receiver: a three-dimensional space defined by the transmitter--receiver axis, and containing stars within that space. This method can be extended to show three-dimensional representations varying over time. Having clarified conventions for representing objects potentially familiar to both sender and receiver, novel objects can subsequently be depicted. This is illustrated through sequences showing interactions between human beings, which provide information about human behavior and personality. Extensions of this method may allow the communication of such culture-specific features as aesthetic judgments and religious beliefs. Limitations of this approach will be noted, with specific reference to ETI who are not primarily visual.

  6. Hidden symmetries in five-dimensional supergravity

    International Nuclear Information System (INIS)

    Poessel, M.

    2003-05-01

    This thesis is concerned with the study of hidden symmetries in supergravity, which play an important role in the present picture of supergravity and string theory. Concretely, the appearance of a hidden G 2(+2) /SO(4) symmetry is studied in the dimensional reduction of d=5, N=2 supergravity to three dimensions - a parallel model to the more famous E 8(+8) /SO(16) case in eleven-dimensional supergravity. Extending previous partial results for the bosonic part, I give a derivation that includes fermionic terms. This sheds new light on the appearance of the local hidden symmetry SO(4) in the reduction, and shows up an unusual feature which follows from an analysis of the R-symmetry associated with N=4 supergravity and of the supersymmetry variations, and which has no parallel in the eleven-dimensional case: The emergence of an additional SO(3) as part of the enhanced local symmetry, invisible in the dimensional reduction of the gravitino, and corresponding to the fact that, of the SO(4) used in the coset model, only the diagonal SO(3) is visible immediately upon dimensional reduction. The uncovering of the hidden symmetries proceeds via the construction of the proper coset gravity in three dimensions, and matching it with the Lagrangian obtained from the reduction. (orig.)

  7. Multichannel transfer function with dimensionality reduction

    KAUST Repository

    Kim, Han Suk

    2010-01-17

    The design of transfer functions for volume rendering is a difficult task. This is particularly true for multi-channel data sets, where multiple data values exist for each voxel. In this paper, we propose a new method for transfer function design. Our new method provides a framework to combine multiple approaches and pushes the boundary of gradient-based transfer functions to multiple channels, while still keeping the dimensionality of transfer functions to a manageable level, i.e., a maximum of three dimensions, which can be displayed visually in a straightforward way. Our approach utilizes channel intensity, gradient, curvature and texture properties of each voxel. The high-dimensional data of the domain is reduced by applying recently developed nonlinear dimensionality reduction algorithms. In this paper, we used Isomap as well as a traditional algorithm, Principle Component Analysis (PCA). Our results show that these dimensionality reduction algorithms significantly improve the transfer function design process without compromising visualization accuracy. In this publication we report on the impact of the dimensionality reduction algorithms on transfer function design for confocal microscopy data.

  8. Interobserver reliability of coronoid fracture classification: two-dimensional versus three-dimensional computed tomography

    NARCIS (Netherlands)

    Lindenhovius, Anneluuk; Karanicolas, Paul Jack; Bhandari, Mohit; van Dijk, Niek; Ring, David; Allan, Christopher; Anglen, Jeffrey; Axelrod, Terry; Baratz, Mark; Beingessner, Daphne; Brink, Peter; Cassidy, Charles; Coles, Chad; Conflitti, Joe; Crist, Brett; Della Rocca, Gregory; Dijkstra, Sander; Elmans, L. H. G. J.; Feibel, Roger; Flores, Luis; Frihagen, Frede; Gosens, Taco; Goslings, J. C.; Greenberg, Jeffrey; Grosso, Elena; Harness, Neil; van der Heide, Huub; Jeray, Kyle; Kalainov, David; van Kampen, Albert; Kawamura, Sumito; Kloen, Peter; McKee, Michael; Nork, Sean; Page, Richard; Pesantez, Rodrigo; Peters, Anil; Poolman, Rudolf; Prayson, Michael; Richardson, Martin; Seiler, John; Swiontkowski, Marc; Thomas, George; Trumble, Tom; van Vugt, Arie; Wright, Thomas; Zalavras, Charalampos; Zura, Robert

    2009-01-01

    This study tests the hypothesis that 3-dimensional computed tomography (CT) reconstructions improve interobserver agreement on classification and treatment of coronoid fractures compared with 2-dimensional CT. A total of 29 orthopedic surgeons evaluated 10 coronoid fractures on 2 occasions (first

  9. On two-dimensionalization of three-dimensional turbulence in shell models

    DEFF Research Database (Denmark)

    Chakraborty, Sagar; Jensen, Mogens Høgh; Sarkar, A.

    2010-01-01

    Applying a modified version of the Gledzer-Ohkitani-Yamada (GOY) shell model, the signatures of so-called two-dimensionalization effect of three-dimensional incompressible, homogeneous, isotropic fully developed unforced turbulence have been studied and reproduced. Within the framework of shell m......-similar PDFs for longitudinal velocity differences are also presented for the rotating 3D turbulence case....

  10. Three dimensional illustrating - three-dimensional vision and deception of sensibility

    Directory of Open Access Journals (Sweden)

    Anita Gánóczy

    2009-03-01

    Full Text Available The wide-spread digital photography and computer use gave the opportunity for everyone to make three-dimensional pictures and to make them public. The new opportunities with three-dimensional techniques give chance for the birth of new artistic photographs. We present in detail the biological roots of three-dimensional visualization, the phenomena of movement parallax, which can be used efficiently in making three-dimensional graphics, the Zöllner- and Corridor-illusion. There are present in this paper the visual elements, which contribute to define a plane two-dimensional image in three-dimension: coherent lines, the covering, the measurement changes, the relative altitude state, the abatement of detail profusion, the shadings and the perspective effects of colors.

  11. FROM ZERO-DIMENSIONAL TO 2-DIMENSIONAL CARBON NANOMATERIALS - part I: TYPES OF CNs

    Directory of Open Access Journals (Sweden)

    Cătălin IANCU

    2012-05-01

    Full Text Available In recent years, many theoretical and experimental studies have been carried out to develop one of the most interesting aspects of the science and nanotechnology which is called carbon-related nanomaterials. In this review paper are presented some of the most important developments in the synthesis, properties, and applications of low-dimensional carbon nanomaterials. The synthesis techniques are used to produce specific kinds of low-dimensional carbon nanomaterials such as zero-dimensional CNs (including fullerene, carbon-encapsulated metal nanoparticles, nanodiamond, and onion-like carbons, one-dimensional carbon nanomaterials (including carbon nanofibers and carbon nanotubes, and two-dimensional carbon nanomaterials (including graphene and carbon nanowalls.

  12. Extended supersymmetry in four-dimensional Euclidean space

    International Nuclear Information System (INIS)

    McKeon, D.G.C.; Sherry, T.N.

    2000-01-01

    Since the generators of the two SU(2) groups which comprise SO(4) are not Hermitian conjugates of each other, the simplest supersymmetry algebra in four-dimensional Euclidean space more closely resembles the N=2 than the N=1 supersymmetry algebra in four-dimensional Minkowski space. An extended supersymmetry algebra in four-dimensional Euclidean space is considered in this paper; its structure resembles that of N=4 supersymmetry in four-dimensional Minkowski space. The relationship of this algebra to the algebra found by dimensionally reducing the N=1 supersymmetry algebra in ten-dimensional Euclidean space to four-dimensional Euclidean space is examined. The dimensional reduction of N=1 super Yang-Mills theory in ten-dimensional Minkowski space to four-dimensional Euclidean space is also considered

  13. Ligand-Stabilized Reduced-Dimensionality Perovskites

    KAUST Repository

    Quan, Li Na; Yuan, Mingjian; Comin, Riccardo; Voznyy, Oleksandr; Beauregard, Eric M.; Hoogland, Sjoerd; Buin, Andrei; Kirmani, Ahmad R.; Zhao, Kui; Amassian, Aram; Kim, Dong Ha; Sargent, Edward H.

    2016-01-01

    Metal halide perovskites have rapidly advanced thin film photovoltaic performance; as a result, the materials’ observed instabilities urgently require a solution. Using density functional theory (DFT), we show that a low energy of formation, exacerbated in the presence of humidity, explains the propensity of perovskites to decompose back into their precursors. We find, also using DFT, that intercalation of phenylethylammonium between perovskite layers introduces quantitatively appreciable van der Waals interactions; and these drive an increased formation energy and should therefore improve material stability. Here we report the reduced-dimensionality (quasi-2D) perovskite films that exhibit improved stability while retaining the high performance of conventional three-dimensional perovskites. Continuous tuning of the dimensionality, as assessed using photophysical studies, is achieved by the choice of stoichiometry in materials synthesis. We achieved the first certified hysteresis-free solar power conversion in a planar perovskite solar cell, obtaining a 15.3% certified PCE, and observe greatly improved performance longevity.

  14. Arching in three-dimensional clogging

    Science.gov (United States)

    Török, János; Lévay, Sára; Szabó, Balázs; Somfai, Ellák; Wegner, Sandra; Stannarius, Ralf; Börzsönyi, Tamás

    2017-06-01

    Arching in dry granular material is a long established concept, however it remains still an open question how three-dimensional orifices clog. We investigate by means of numerical simulations and experimental data how the outflow creates a blocked configuration of particles. We define the concave surface of the clogged dome by two independent methods (geometric and density based). The average shape of the cupola for spheres is almost a hemisphere but individual samples have large holes in the structure indicating a blocked state composed of two-dimensional force chains rather than three-dimensional objects. The force chain structure justifies this assumption. For long particles the clogged configurations display large variations, and in certain cases the empty region reaches a height of 5 hole diameters. These structures involve vertical walls consisting of horizontally placed stable stacking of particles.

  15. Two-dimensional simulation of sintering process

    International Nuclear Information System (INIS)

    Vasconcelos, Vanderley de; Pinto, Lucio Carlos Martins; Vasconcelos, Wander L.

    1996-01-01

    The results of two-dimensional simulations are directly applied to systems in which one of the dimensions is much smaller than the others, and to sections of three dimensional models. Moreover, these simulations are the first step of the analysis of more complex three-dimensional systems. In this work, two basic features of the sintering process are studied: the types of particle size distributions related to the powder production processes and the evolution of geometric parameters of the resultant microstructures during the solid-state sintering. Random packing of equal spheres is considered in the sintering simulation. The packing algorithm does not take into account the interactive forces between the particles. The used sintering algorithm causes the densification of the particle set. (author)

  16. Dimensional analysis beyond the Pi theorem

    CERN Document Server

    Zohuri, Bahman

    2017-01-01

    Dimensional Analysis and Physical Similarity are well understood subjects, and the general concepts of dynamical similarity are explained in this book. Our exposition is essentially different from those available in the literature, although it follows the general ideas known as Pi Theorem. There are many excellent books that one can refer to; however, dimensional analysis goes beyond Pi theorem, which is also known as Buckingham’s Pi Theorem. Many techniques via self-similar solutions can bound solutions to problems that seem intractable. A time-developing phenomenon is called self-similar if the spatial distributions of its properties at different points in time can be obtained from one another by a similarity transformation, and identifying one of the independent variables as time. However, this is where Dimensional Analysis goes beyond Pi Theorem into self-similarity, which has represented progress for researchers. In recent years there has been a surge of interest in self-similar solutions of the First ...

  17. Three-dimensional imaging modalities in endodontics

    Science.gov (United States)

    Mao, Teresa

    2014-01-01

    Recent research in endodontics has highlighted the need for three-dimensional imaging in the clinical arena as well as in research. Three-dimensional imaging using computed tomography (CT) has been used in endodontics over the past decade. Three types of CT scans have been studied in endodontics, namely cone-beam CT, spiral CT, and peripheral quantitative CT. Contemporary endodontics places an emphasis on the use of cone-beam CT for an accurate diagnosis of parameters that cannot be visualized on a two-dimensional image. This review discusses the role of CT in endodontics, pertaining to its importance in the diagnosis of root canal anatomy, detection of peri-radicular lesions, diagnosis of trauma and resorption, presurgical assessment, and evaluation of the treatment outcome. PMID:25279337

  18. Three-dimensional imaging modalities in endodontics

    Energy Technology Data Exchange (ETDEWEB)

    Mao, Teresa; Neelakantan, Prasanna [Dept. of Conservative Dentistry and Endodontics, Saveetha Dental College and Hospitals, Saveetha University, Chennai (India)

    2014-09-15

    Recent research in endodontics has highlighted the need for three-dimensional imaging in the clinical arena as well as in research. Three-dimensional imaging using computed tomography (CT) has been used in endodontics over the past decade. Three types of CT scans have been studied in endodontics, namely cone-beam CT, spiral CT, and peripheral quantitative CT. Contemporary endodontics places an emphasis on the use of cone-beam CT for an accurate diagnosis of parameters that cannot be visualized on a two-dimensional image. This review discusses the role of CT in endodontics, pertaining to its importance in the diagnosis of root canal anatomy, detection of peri-radicular lesions, diagnosis of trauma and resorption, presurgical assessment, and evaluation of the treatment outcome.

  19. Three-dimensional imaging modalities in endodontics

    International Nuclear Information System (INIS)

    Mao, Teresa; Neelakantan, Prasanna

    2014-01-01

    Recent research in endodontics has highlighted the need for three-dimensional imaging in the clinical arena as well as in research. Three-dimensional imaging using computed tomography (CT) has been used in endodontics over the past decade. Three types of CT scans have been studied in endodontics, namely cone-beam CT, spiral CT, and peripheral quantitative CT. Contemporary endodontics places an emphasis on the use of cone-beam CT for an accurate diagnosis of parameters that cannot be visualized on a two-dimensional image. This review discusses the role of CT in endodontics, pertaining to its importance in the diagnosis of root canal anatomy, detection of peri-radicular lesions, diagnosis of trauma and resorption, presurgical assessment, and evaluation of the treatment outcome

  20. Clustering high dimensional data using RIA

    Energy Technology Data Exchange (ETDEWEB)

    Aziz, Nazrina [School of Quantitative Sciences, College of Arts and Sciences, Universiti Utara Malaysia, 06010 Sintok, Kedah (Malaysia)

    2015-05-15

    Clustering may simply represent a convenient method for organizing a large data set so that it can easily be understood and information can efficiently be retrieved. However, identifying cluster in high dimensionality data sets is a difficult task because of the curse of dimensionality. Another challenge in clustering is some traditional functions cannot capture the pattern dissimilarity among objects. In this article, we used an alternative dissimilarity measurement called Robust Influence Angle (RIA) in the partitioning method. RIA is developed using eigenstructure of the covariance matrix and robust principal component score. We notice that, it can obtain cluster easily and hence avoid the curse of dimensionality. It is also manage to cluster large data sets with mixed numeric and categorical value.

  1. One-dimensional Gromov minimal filling problem

    International Nuclear Information System (INIS)

    Ivanov, Alexandr O; Tuzhilin, Alexey A

    2012-01-01

    The paper is devoted to a new branch in the theory of one-dimensional variational problems with branching extremals, the investigation of one-dimensional minimal fillings introduced by the authors. On the one hand, this problem is a one-dimensional version of a generalization of Gromov's minimal fillings problem to the case of stratified manifolds. On the other hand, this problem is interesting in itself and also can be considered as a generalization of another classical problem, the Steiner problem on the construction of a shortest network connecting a given set of terminals. Besides the statement of the problem, we discuss several properties of the minimal fillings and state several conjectures. Bibliography: 38 titles.

  2. Transport stochastic multi-dimensional media

    International Nuclear Information System (INIS)

    Haran, O.; Shvarts, D.

    1996-01-01

    Many physical phenomena evolve according to known deterministic rules, but in a stochastic media in which the composition changes in space and time. Examples to such phenomena are heat transfer in turbulent atmosphere with non uniform diffraction coefficients, neutron transfer in boiling coolant of a nuclear reactor and radiation transfer through concrete shields. The results of measurements conducted upon such a media are stochastic by nature, and depend on the specific realization of the media. In the last decade there has been a considerable efforts to describe linear particle transport in one dimensional stochastic media composed of several immiscible materials. However, transport in two or three dimensional stochastic media has been rarely addressed. The important effect in multi-dimensional transport that does not appear in one dimension is the ability to bypass obstacles. The current work is an attempt to quantify this effect. (authors)

  3. Super integrable four-dimensional autonomous mappings

    International Nuclear Information System (INIS)

    Capel, H W; Sahadevan, R; Rajakumar, S

    2007-01-01

    A systematic investigation of the complete integrability of a fourth-order autonomous difference equation of the type w(n + 4) = w(n)F(w(n + 1), w(n + 2), w(n + 3)) is presented. We identify seven distinct families of four-dimensional mappings which are super integrable and have three (independent) integrals via a duality relation as introduced in a recent paper by Quispel, Capel and Roberts (2005 J. Phys. A: Math. Gen. 38 3965-80). It is observed that these seven families can be related to the four-dimensional symplectic mappings with two integrals including all the four-dimensional periodic reductions of the integrable double-discrete modified Korteweg-deVries and sine-Gordon equations treated in an earlier paper by two of us (Capel and Sahadevan 2001 Physica A 289 86-106)

  4. Transport stochastic multi-dimensional media

    Energy Technology Data Exchange (ETDEWEB)

    Haran, O; Shvarts, D [Israel Atomic Energy Commission, Beersheba (Israel). Nuclear Research Center-Negev; Thiberger, R [Ben-Gurion Univ. of the Negev, Beersheba (Israel)

    1996-12-01

    Many physical phenomena evolve according to known deterministic rules, but in a stochastic media in which the composition changes in space and time. Examples to such phenomena are heat transfer in turbulent atmosphere with non uniform diffraction coefficients, neutron transfer in boiling coolant of a nuclear reactor and radiation transfer through concrete shields. The results of measurements conducted upon such a media are stochastic by nature, and depend on the specific realization of the media. In the last decade there has been a considerable efforts to describe linear particle transport in one dimensional stochastic media composed of several immiscible materials. However, transport in two or three dimensional stochastic media has been rarely addressed. The important effect in multi-dimensional transport that does not appear in one dimension is the ability to bypass obstacles. The current work is an attempt to quantify this effect. (authors).

  5. Ligand-Stabilized Reduced-Dimensionality Perovskites

    KAUST Repository

    Quan, Li Na

    2016-02-03

    Metal halide perovskites have rapidly advanced thin film photovoltaic performance; as a result, the materials’ observed instabilities urgently require a solution. Using density functional theory (DFT), we show that a low energy of formation, exacerbated in the presence of humidity, explains the propensity of perovskites to decompose back into their precursors. We find, also using DFT, that intercalation of phenylethylammonium between perovskite layers introduces quantitatively appreciable van der Waals interactions; and these drive an increased formation energy and should therefore improve material stability. Here we report the reduced-dimensionality (quasi-2D) perovskite films that exhibit improved stability while retaining the high performance of conventional three-dimensional perovskites. Continuous tuning of the dimensionality, as assessed using photophysical studies, is achieved by the choice of stoichiometry in materials synthesis. We achieved the first certified hysteresis-free solar power conversion in a planar perovskite solar cell, obtaining a 15.3% certified PCE, and observe greatly improved performance longevity.

  6. Dimensional reduction from entanglement in Minkowski space

    International Nuclear Information System (INIS)

    Brustein, Ram; Yarom, Amos

    2005-01-01

    Using a quantum field theoretic setting, we present evidence for dimensional reduction of any sub-volume of Minkowksi space. First, we show that correlation functions of a class of operators restricted to a sub-volume of D-dimensional Minkowski space scale as its surface area. A simple example of such area scaling is provided by the energy fluctuations of a free massless quantum field in its vacuum state. This is reminiscent of area scaling of entanglement entropy but applies to quantum expectation values in a pure state, rather than to statistical averages over a mixed state. We then show, in a specific case, that fluctuations in the bulk have a lower-dimensional representation in terms of a boundary theory at high temperature. (author)

  7. Transforming high-dimensional potential energy surfaces into sum-of-products form using Monte Carlo methods

    Science.gov (United States)

    Schröder, Markus; Meyer, Hans-Dieter

    2017-08-01

    We propose a Monte Carlo method, "Monte Carlo Potfit," for transforming high-dimensional potential energy surfaces evaluated on discrete grid points into a sum-of-products form, more precisely into a Tucker form. To this end we use a variational ansatz in which we replace numerically exact integrals with Monte Carlo integrals. This largely reduces the numerical cost by avoiding the evaluation of the potential on all grid points and allows a treatment of surfaces up to 15-18 degrees of freedom. We furthermore show that the error made with this ansatz can be controlled and vanishes in certain limits. We present calculations on the potential of HFCO to demonstrate the features of the algorithm. To demonstrate the power of the method, we transformed a 15D potential of the protonated water dimer (Zundel cation) in a sum-of-products form and calculated the ground and lowest 26 vibrationally excited states of the Zundel cation with the multi-configuration time-dependent Hartree method.

  8. Hidden twelve-dimensional super Poincare symmetry in eleven dimensions

    International Nuclear Information System (INIS)

    Bars, Itzhak; Deliduman, Cemsinan; Pasqua, Andrea; Zumino, Bruno

    2004-01-01

    First, we review a result in our previous paper, of how a ten-dimensional superparticle, taken off-shell, has a hidden eleven-dimensional super Poincare symmetry. Then, we show that the physical sector is defined by three first-class constraints which preserve the full eleven-dimensional symmetry. Applying the same concepts to the eleven-dimensional superparticle, taken off-shell, we discover a hidden twelve-dimensional super Poincare symmetry that governs the theory

  9. Two-dimensional x-ray diffraction

    CERN Document Server

    He, Bob B

    2009-01-01

    Written by one of the pioneers of 2D X-Ray Diffraction, this useful guide covers the fundamentals, experimental methods and applications of two-dimensional x-ray diffraction, including geometry convention, x-ray source and optics, two-dimensional detectors, diffraction data interpretation, and configurations for various applications, such as phase identification, texture, stress, microstructure analysis, crystallinity, thin film analysis and combinatorial screening. Experimental examples in materials research, pharmaceuticals, and forensics are also given. This presents a key resource to resea

  10. Multi-Dimensional Aggregation for Temporal Data

    DEFF Research Database (Denmark)

    Böhlen, M. H.; Gamper, J.; Jensen, Christian Søndergaard

    2006-01-01

    Business Intelligence solutions, encompassing technologies such as multi-dimensional data modeling and aggregate query processing, are being applied increasingly to non-traditional data. This paper extends multi-dimensional aggregation to apply to data with associated interval values that capture...... that the data holds for each point in the interval, as well as the case where the data holds only for the entire interval, but must be adjusted to apply to sub-intervals. The paper reports on an implementation of the new operator and on an empirical study that indicates that the operator scales to large data...

  11. Dimensiones de la responsabilidad social del marketing

    OpenAIRE

    María Matilde Schwalb Helguero; Iñaki García Arrizabalaga

    2013-01-01

    La creciente desconfianza ciudadana y las demandas del movimiento de defensa del consumidor presionan al marketing para que amplíe su función más allá del diseño de un buen marketing mix y para que las empresas se comprometan con la responsabilidad social (RS). Sin embargo, no se sabe cuáles son las dimensiones que comprende esta función ampliada del marketing. Por eso, este artículo tiene por objetivo identificar y validar las dimensiones que conforman el nuevo constructo Responsabilidad Soc...

  12. Three-dimensional interpretation of TEM soundings

    Science.gov (United States)

    Barsukov, P. O.; Fainberg, E. B.

    2013-07-01

    We describe the approach to the interpretation of electromagnetic (EM) sounding data which iteratively adjusts the three-dimensional (3D) model of the environment by local one-dimensional (1D) transformations and inversions and reconstructs the geometrical skeleton of the model. The final 3D inversion is carried out with the minimal number of the sought parameters. At each step of the interpretation, the model of the medium is corrected according to the geological information. The practical examples of the suggested method are presented.

  13. Towards three-dimensional optical metamaterials

    Science.gov (United States)

    Tanaka, Takuo; Ishikawa, Atsushi

    2017-12-01

    Metamaterials have opened up the possibility of unprecedented and fascinating concepts and applications in optics and photonics. Examples include negative refraction, perfect lenses, cloaking, perfect absorbers, and so on. Since these metamaterials are man-made materials composed of sub-wavelength structures, their development strongly depends on the advancement of micro- and nano-fabrication technologies. In particular, the realization of three-dimensional metamaterials is one of the big challenges in this research field. In this review, we describe recent progress in the fabrication technologies for three-dimensional metamaterials, as well as proposed applications.

  14. Development of three dimensional solid modeler

    International Nuclear Information System (INIS)

    Zahoor, R.M.A.

    1999-01-01

    The work presented in this thesis is aimed at developing a three dimensional solid modeler employing computer graphics techniques using C-Language. Primitives have been generated, by combination of plane surfaces, for various basic geometrical shapes including cylinder, cube and cone. Back face removal technique for hidden surface removal has also been incorporated. Various transformation techniques such as scaling, translation, and rotation have been included for the object animation. Three dimensional solid modeler has been created by the union of two primitives to demonstrate the capabilities of the developed program. (author)

  15. Screening in two-dimensional gauge theories

    International Nuclear Information System (INIS)

    Korcyl, Piotr; Deutsches Elektronen-Synchrotron; Koren, Mateusz

    2012-12-01

    We analyze the problem of screening in 1+1 dimensional gauge theories. Using QED 2 as a warmup for the non-abelian models we show the mechanism of the string breaking, in particular the vanishing overlap of the Wilson loops to the broken-string ground state that has been conjectured in higher-dimensional analyses. We attempt to extend our analysis to non-integer charges in the quenched and unquenched cases, in pursuit of the numerical check of a renowned result for the string tension between arbitrarily-charged fermions in the massive Schwinger model.

  16. Formulation of 11-dimensional supergravity in superspace

    International Nuclear Information System (INIS)

    Cremmer, E.; Ferrara, S.

    1980-01-01

    We formulate on-shell 11-dimensional supergravity in superspace and express its equations of motion in terms of purely geometrical quantities. All torsion and curvature components are solved in terms of a single superfield Wsub(rstu), totally antisymmetric in its (flat vector) indices. The dimensional reduction of this formulation is expected to be related to the superspace formulation of N = 8 extended supergravity and might explain the origin of the hidden (local) SU(8) and (global) E 7 symmetries present in this theory. (orig.)

  17. Execution spaces for simple higher dimensional automata

    DEFF Research Database (Denmark)

    Raussen, Martin

    2012-01-01

    Higher dimensional automata (HDA) are highly expressive models for concurrency in Computer Science, cf van Glabbeek (Theor Comput Sci 368(1–2): 168–194, 2006). For a topologist, they are attractive since they can be modeled as cubical complexes—with an inbuilt restriction for directions of allowa......Higher dimensional automata (HDA) are highly expressive models for concurrency in Computer Science, cf van Glabbeek (Theor Comput Sci 368(1–2): 168–194, 2006). For a topologist, they are attractive since they can be modeled as cubical complexes—with an inbuilt restriction for directions...

  18. Three-dimensional topological insulators and bosonization

    Energy Technology Data Exchange (ETDEWEB)

    Cappelli, Andrea [INFN, Sezione di Firenze,Via G. Sansone 1, 50019 Sesto Fiorentino - Firenze (Italy); Randellini, Enrico [INFN, Sezione di Firenze,Via G. Sansone 1, 50019 Sesto Fiorentino - Firenze (Italy); Dipartimento di Fisica e Astronomia, Università di Firenze,Via G. Sansone 1, 50019 Sesto Fiorentino - Firenze (Italy); Sisti, Jacopo [Scuola Internazionale Superiore di Studi Avanzati (SISSA),Via Bonomea 265, 34136 Trieste (Italy)

    2017-05-25

    Massless excitations at the surface of three-dimensional time-reversal invariant topological insulators possess both fermionic and bosonic descriptions, originating from band theory and hydrodynamic BF theory, respectively. We analyze the corresponding field theories of the Dirac fermion and compactified boson and compute their partition functions on the three-dimensional torus geometry. We then find some non-dynamic exact properties of bosonization in (2+1) dimensions, regarding fermion parity and spin sectors. Using these results, we extend the Fu-Kane-Mele stability argument to fractional topological insulators in three dimensions.

  19. Three-dimensional imaging utilizing energy discrimination

    International Nuclear Information System (INIS)

    Gunter, D.L.; Hoffman, K.R.; Beck, R.N.

    1990-01-01

    An algorithm is proposed for three-dimensional image reconstruction in nuclear medicine which uses scattered radiation rather than multiple projected images to determine the source depth within the body. Images taken from numerous energy windows are combined to construct the source distribution in the body. The gamma-ray camera is not moved during the imaging process. Experiments with both Tc-99m and Ga-67 demonstrate that two channels of depth information can be extracted from the low energy images produced by scattered radiation. By combining this technique with standard SPECT reconstruction using multiple projections the authors anticipate much improved spatial resolution in the overall three-dimensional reconstruction

  20. Dimensional reduction of a generalized flux problem

    International Nuclear Information System (INIS)

    Moroz, A.

    1992-01-01

    In this paper, a generalized flux problem with Abelian and non-Abelian fluxes is considered. In the Abelian case we shall show that the generalized flux problem for tight-binding models of noninteracting electrons on either 2n- or (2n + 1)-dimensional lattice can always be reduced to an n-dimensional hopping problem. A residual freedom in this reduction enables one to identify equivalence classes of hopping Hamiltonians which have the same spectrum. In the non-Abelian case, the reduction is not possible in general unless the flux tensor factorizes into an Abelian one times are element of the corresponding algebra

  1. Asymptotically Honest Confidence Regions for High Dimensional

    DEFF Research Database (Denmark)

    Caner, Mehmet; Kock, Anders Bredahl

    While variable selection and oracle inequalities for the estimation and prediction error have received considerable attention in the literature on high-dimensional models, very little work has been done in the area of testing and construction of confidence bands in high-dimensional models. However...... develop an oracle inequality for the conservative Lasso only assuming the existence of a certain number of moments. This is done by means of the Marcinkiewicz-Zygmund inequality which in our context provides sharper bounds than Nemirovski's inequality. As opposed to van de Geer et al. (2014) we allow...

  2. Screening in two-dimensional gauge theories

    Energy Technology Data Exchange (ETDEWEB)

    Korcyl, Piotr [Uniwersytet Jagiellonski, Cracow (Poland). Inst. Fizyki; Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Koren, Mateusz [Uniwersytet Jagiellonski, Cracow (Poland). Inst. Fizyki

    2012-12-15

    We analyze the problem of screening in 1+1 dimensional gauge theories. Using QED{sub 2} as a warmup for the non-abelian models we show the mechanism of the string breaking, in particular the vanishing overlap of the Wilson loops to the broken-string ground state that has been conjectured in higher-dimensional analyses. We attempt to extend our analysis to non-integer charges in the quenched and unquenched cases, in pursuit of the numerical check of a renowned result for the string tension between arbitrarily-charged fermions in the massive Schwinger model.

  3. Molecular behavior of zero-dimensional perovskites

    KAUST Repository

    Yin, Jun; Maity, Partha; de Bastiani, Michele; Dursun, Ibrahim; Bakr, Osman; Bredas, Jean-Luc; Mohammed, Omar F.

    2017-01-01

    -dimensional (0D) inorganic perovskites of the Cs4PbX6 (X = Cl, Br, or I) kind have crystal structures with isolated lead halide octahedra [PbX6]4− surrounded by Cs+ cations, allowing the 0D crystals to exhibit the intrinsic properties of an individual octahedron

  4. Analytical simulation of two dimensional advection dispersion ...

    African Journals Online (AJOL)

    The study was designed to investigate the analytical simulation of two dimensional advection dispersion equation of contaminant transport. The steady state flow condition of the contaminant transport where inorganic contaminants in aqueous waste solutions are disposed of at the land surface where it would migrate ...

  5. Analytical Simulation of Two Dimensional Advection Dispersion ...

    African Journals Online (AJOL)

    ADOWIE PERE

    ABSTRACT: The study was designed to investigate the analytical simulation of two dimensional advection dispersion equation of contaminant transport. The steady state flow condition of the contaminant transport where inorganic contaminants in aqueous waste solutions are disposed of at the land surface where it would ...

  6. Fluorescence confocal polarizing microscopy: Three-dimensional ...

    Indian Academy of Sciences (India)

    Much of the modern understanding of orientational order in liquid crystals (LCs) is based on polarizing microscopy (PM). A PM image bears only two-dimensional (2D) information, integrating the 3D pattern of optical birefringence over the path of light. Recently, we proposed a technique to image 3D director patterns by ...

  7. Sums of two-dimensional spectral triples

    DEFF Research Database (Denmark)

    Christensen, Erik; Ivan, Cristina

    2007-01-01

    construct a sum of two dimensional modules which reflects some aspects of the topological dimensions of the compact metric space, but this will only give the metric back approximately. At the end we make an explicit computation of the last module for the unit interval in. The metric is recovered exactly...

  8. Stability of two-dimensional vorticity filaments

    International Nuclear Information System (INIS)

    Elhmaidi, D.; Provenzale, A.; Lili, T.; Babiano, A.

    2004-01-01

    We discuss the results of a numerical study on the stability of two-dimensional vorticity filaments around a circular vortex. We illustrate how the stability of the filaments depends on the balance between the strain associated with the far field of the vortex and the local vorticity of the filament, and we discuss an empirical criterion for filament stability

  9. Indices for 6 dimensional superconformal field theories

    International Nuclear Information System (INIS)

    Kim, Seok; Lee, Kimyeong

    2017-01-01

    We review some recent developments in the 6 dimensional (2, 0) superconformal field theories, focusing on their Bogomol’nyi–Prasad–Sommerfield (BPS) spectra in the Coulomb and symmetric phases computed by various Witten indices. We shall discuss the instanton partition function of 5d maximal super-Yang–Mills theory, and the 6d superconformal index. (topical review)

  10. Magnetic resonance of low dimensional magnetic solids

    Energy Technology Data Exchange (ETDEWEB)

    Gatteschi, D.; Ferraro, F.; Sessoli, R. (Florence Univ. (Italy))

    1994-06-01

    The utility of EPR and NMR in the study of low-dimensional magnetic solids is shown. A short summary of the basis of magnetic resonance in these systems is reported, and the importance of spin-diffusion and magnetic anisotropy evidenced. Some results from experiments on metal-radical chains and clusters are presented. (authors). 37 refs., 7 figs.

  11. Magnetic resonance of low dimensional magnetic solids

    International Nuclear Information System (INIS)

    Gatteschi, D.; Ferraro, F.; Sessoli, R.

    1994-01-01

    The utility of EPR and NMR in the study of low-dimensional magnetic solids is shown. A short summary of the basis of magnetic resonance in these systems is reported, and the importance of spin-diffusion and magnetic anisotropy evidenced. Some results from experiments on metal-radical chains and clusters are presented. (authors). 37 refs., 7 figs

  12. Note on 3-dimensional Regge calculus

    International Nuclear Information System (INIS)

    Soda, Jiro

    1991-01-01

    We shall study 3-dimensional Regge calculus with concentrating the role of the Bianchi identity. As a result, the number of the physical variables is determined to be 12g - 12(g > 1). The reason why Rocek and Williams derived the exact result of Deser, Jackiw and 'tHooft is clarified. (author)

  13. Three-Dimensional Printing Surgical Applications.

    Science.gov (United States)

    AlAli, Ahmad B; Griffin, Michelle F; Butler, Peter E

    2015-01-01

    Three-dimensional printing, a technology used for decades in the industrial field, gains a lot of attention in the medical field for its potential benefits. With advancement of desktop printers, this technology is accessible and a lot of research is going on in the medical field. To evaluate its application in surgical field, which may include but not limited to surgical planning, surgical education, implants, and prosthesis, which are the focus of this review. Research was conducted by searching PubMed, Web of science, and other reliable sources. We included original articles and excluded articles based on animals, those more than 10 years old, and those not in English. These articles were evaluated, and relevant studies were included in this review. Three-dimensional printing shows a potential benefit in surgical application. Printed implants were used in patient in a few cases and show successful results; however, longer follow-up and more trials are needed. Surgical and medical education is believed to be more efficient with this technology than the current practice. Printed surgical instrument and surgical planning are also believed to improve with three-dimensional printing. Three-dimensional printing can be a very powerful tool in the near future, which can aid the medical field that is facing a lot of challenges and obstacles. However, despite the reported results, further research on larger samples and analytical measurements should be conducted to ensure this technology's impact on the practice.

  14. Experimental investigation of 4-dimensional superspace crystals

    International Nuclear Information System (INIS)

    Rasing, T.; Janner, A.

    1983-09-01

    The symmetry of incommensurate crystals can be described by higher dimensional space groups in the so called superspace approach. The basic ideas are explained and used for showing that superspace groups provide an adequate frame for analyzing experimental results on incommensurate crystals

  15. A Sim(2 invariant dimensional regularization

    Directory of Open Access Journals (Sweden)

    J. Alfaro

    2017-09-01

    Full Text Available We introduce a Sim(2 invariant dimensional regularization of loop integrals. Then we can compute the one loop quantum corrections to the photon self energy, electron self energy and vertex in the Electrodynamics sector of the Very Special Relativity Standard Model (VSRSM.

  16. Infinite Dimensional Differential Games with Hybrid Controls

    Indian Academy of Sciences (India)

    ... zero-sum infinite dimensional differential game of infinite duration with discounted payoff involving hybrid controls is studied. The minimizing player is allowed to take continuous, switching and impulse controls whereas the maximizing player is allowed to take continuous and switching controls. By taking strategies in the ...

  17. Sounds in one-dimensional superfluid helium

    International Nuclear Information System (INIS)

    Um, C.I.; Kahng, W.H.; Whang, E.H.; Hong, S.K.; Oh, H.G.; George, T.F.

    1989-01-01

    The temperature variations of first-, second-, and third-sound velocity and attenuation coefficients in one-dimensional superfluid helium are evaluated explicitly for very low temperatures and frequencies (ω/sub s/tau 2 , and the ratio of second sound to first sound becomes unity as the temperature decreases to absolute zero

  18. Properties of 3-dimensional line location models

    DEFF Research Database (Denmark)

    Brimberg, Jack; Juel, Henrik; Schöbel, Anita

    2002-01-01

    We consider the problem of locating a line with respect to some existing facilities in 3-dimensional space, such that the sum of weighted distances between the line and the facilities is minimized. Measuring distance using the l\\_p norm is discussed, along with the special cases of Euclidean...

  19. Higher dimensional supersymmetric quantum mechanics and Dirac ...

    Indian Academy of Sciences (India)

    We exhibit the supersymmetric quantum mechanical structure of the full 3+1 dimensional Dirac equation considering `mass' as a function of coordinates. Its usefulness in solving potential problems is discussed with specific examples. We also discuss the `physical' significance of the supersymmetric states in this formalism.

  20. Acerca de tres dimensiones del ser humano

    OpenAIRE

    Fúnez, Rubén

    2007-01-01

    El autor resume las ideas importantes del libro "Tres dimensiones del ser humano", se pregunta por la importancia del planteamiento zubiriano, tanto para la historia de la filosofía, como para la situación que actualmente nos ha tocado vivir.