WorldWideScience

Sample records for vibrational quantum number

  1. Polyad quantum numbers and multiple resonances in anharmonic vibrational studies of polyatomic molecules

    Science.gov (United States)

    Krasnoshchekov, Sergey V.; Stepanov, Nikolay F.

    2013-11-01

    In the theory of anharmonic vibrations of a polyatomic molecule, mixing the zero-order vibrational states due to cubic, quartic and higher-order terms in the potential energy expansion leads to the appearance of more-or-less isolated blocks of states (also called polyads), connected through multiple resonances. Such polyads of states can be characterized by a common secondary integer quantum number. This polyad quantum number is defined as a linear combination of the zero-order vibrational quantum numbers, attributed to normal modes, multiplied by non-negative integer polyad coefficients, which are subject to definition for any particular molecule. According to Kellman's method [J. Chem. Phys. 93, 6630 (1990)], the corresponding formalism can be conveniently described using vector algebra. In the present work, a systematic consideration of polyad quantum numbers is given in the framework of the canonical Van Vleck perturbation theory (CVPT) and its numerical-analytic operator implementation for reducing the Hamiltonian to the quasi-diagonal form, earlier developed by the authors. It is shown that CVPT provides a convenient method for the systematic identification of essential resonances and the definition of a polyad quantum number. The method presented is generally suitable for molecules of significant size and complexity, as illustrated by several examples of molecules up to six atoms. The polyad quantum number technique is very useful for assembling comprehensive basis sets for the matrix representation of the Hamiltonian after removal of all non-resonance terms by CVPT. In addition, the classification of anharmonic energy levels according to their polyad quantum numbers provides an additional means for the interpretation of observed vibrational spectra.

  2. Quantum random number generators

    Science.gov (United States)

    Herrero-Collantes, Miguel; Garcia-Escartin, Juan Carlos

    2017-01-01

    Random numbers are a fundamental resource in science and engineering with important applications in simulation and cryptography. The inherent randomness at the core of quantum mechanics makes quantum systems a perfect source of entropy. Quantum random number generation is one of the most mature quantum technologies with many alternative generation methods. This review discusses the different technologies in quantum random number generation from the early devices based on radioactive decay to the multiple ways to use the quantum states of light to gather entropy from a quantum origin. Randomness extraction and amplification and the notable possibility of generating trusted random numbers even with untrusted hardware using device-independent generation protocols are also discussed.

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

    Indian Academy of Sciences (India)

    Quantum dynamics of vibrational excitations and vibrational charge transfer processes in H+ + O2 collisions at collision energy 23 eV ... The Fritz Haber Research Centre and The Department of Physical Chemisry, Hebrew University of Jerusalem, Jerusalem, Israel 91904; Department of Chemistry, Indian Institute of ...

  4. Nuclear Quantum Vibrational Effects in Shock Hugoniot Temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Goldman, N; Reed, E; Fried, L E

    2009-07-23

    We present a straightforward method for the inclusion of quantum nuclear vibrational effects in molecular dynamics calculations of shock Hugoniot temperatures. Using a Grueneisen equation of state and a quasiharmonic approximation to the vibrational energies, we derive a simple, post-processing method for calculation of the quantum corrected Hugoniot temperatures. We have used our novel technique on ab initio simulations of shock compressed water. Our results indicate significantly closer agreement with all available experimental temperature data. Our formalism and technique can be easily applied to a number of different shock compressed molecular liquids or solids.

  5. Quantum algorithms for number fields

    Energy Technology Data Exchange (ETDEWEB)

    Haase, D.; Maier, H. [Universitaet Ulm, Fakultaet fuer Mathematik und Wirtschaftswissenschaften, Helmholtzstrasse 18, 89069 Ulm (Germany)

    2006-08-23

    This is a survey of recent results on quantum algorithms for the computation of invariants of number fields, namely the class number and the regulator. Most known classical algorithms for the computation of these values are of subexponential complexity and depend on the truth of a still unproven hypothesis of analytic number theory. We use an important number theoretic concept, Minkowski's Geometry of Numbers, to visualize these invariants, and describe the quantum algorithms developed by Hallgren, Schmidt and Vollmer which compute these invariants using a polynomial number of steps. Computational techniques in number fields, which are necessary to justify the classical part of these quantum algorithms, are the focus of the research of our project group, and are explained in detail. (Abstract Copyright [2006], Wiley Periodicals, Inc.)

  6. Number-unconstrained quantum sensing

    Science.gov (United States)

    Mitchell, Morgan W.

    2017-12-01

    Quantum sensing is commonly described as a constrained optimization problem: maximize the information gained about an unknown quantity using a limited number of particles. Important sensors including gravitational wave interferometers and some atomic sensors do not appear to fit this description, because there is no external constraint on particle number. Here, we develop the theory of particle-number-unconstrained quantum sensing, and describe how optimal particle numbers emerge from the competition of particle-environment and particle-particle interactions. We apply the theory to optical probing of an atomic medium modeled as a resonant, saturable absorber, and observe the emergence of well-defined finite optima without external constraints. The results contradict some expectations from number-constrained quantum sensing and show that probing with squeezed beams can give a large sensitivity advantage over classical strategies when each is optimized for particle number.

  7. Can Molecular Quantum Interference Effect Transistors Survive Vibration?

    Science.gov (United States)

    Chen, Shuguang; Zhou, WeiJun; Zhang, Qing; Kwok, YanHo; Chen, GuanHua; Ratner, Mark A

    2017-10-19

    Quantum interference in cross-conjugated molecules can be utilized to construct molecular quantum interference effect transistors. However, whether its application can be achieved depends on the survivability of the quantum interference under real conditions such as nuclear vibration. We use two simulation methods to investigate the effects of nuclear vibration on quantum interference in a meta-linked benzene system. The simulation results suggest that the quantum interference is robust against nuclear vibration not only in the steady state but also in its transient dynamics, and thus the molecular quantum interference effect transistors can be realized.

  8. Understanding Quantum Numbers in General Chemistry Textbooks

    Science.gov (United States)

    Niaz, Mansoor; Fernandez, Ramon

    2008-01-01

    Quantum numbers and electron configurations form an important part of the general chemistry curriculum and textbooks. The objectives of this study are: (1) Elaboration of a framework based on the following aspects: (a) Origin of the quantum hypothesis, (b) Alternative interpretations of quantum mechanics, (c) Differentiation between an orbital and…

  9. Quantum control of vibrational excitations in a heteronuclear ...

    Indian Academy of Sciences (India)

    WINTEC

    Quantum control of vibrational excitations in a heteronuclear diatomic molecule. SITANSH SHARMA, PURSHOTAM SHARMA and HARJINDER SINGH* ... electric field is calculated and used for the subsequent quantum dynamics, within the dipole approxima- tion. ... properties of interference of dynamical paths to regulate ...

  10. Topological quantum numbers in nonrelativistic physics

    CERN Document Server

    Thouless, David James

    1998-01-01

    Topological quantum numbers are distinguished from quantum numbers based on symmetry because they are insensitive to the imperfections of the systems in which they are observed. They have become very important in precision measurements in recent years, and provide the best measurements of voltage and electrical resistance. This book describes the theory of such quantum numbers, starting with Dirac's argument for the quantization of electric charge, and continuing with discussions on the helium superfluids, flux quantization and the Josephson effect in superconductors, the quantum Hall effect,

  11. Quantum Statistical Testing of a Quantum Random Number Generator

    Energy Technology Data Exchange (ETDEWEB)

    Humble, Travis S [ORNL

    2014-01-01

    The unobservable elements in a quantum technology, e.g., the quantum state, complicate system verification against promised behavior. Using model-based system engineering, we present methods for verifying the opera- tion of a prototypical quantum random number generator. We begin with the algorithmic design of the QRNG followed by the synthesis of its physical design requirements. We next discuss how quantum statistical testing can be used to verify device behavior as well as detect device bias. We conclude by highlighting how system design and verification methods must influence effort to certify future quantum technologies.

  12. Ramsey numbers and adiabatic quantum computing.

    Science.gov (United States)

    Gaitan, Frank; Clark, Lane

    2012-01-06

    The graph-theoretic Ramsey numbers are notoriously difficult to calculate. In fact, for the two-color Ramsey numbers R(m,n) with m, n≥3, only nine are currently known. We present a quantum algorithm for the computation of the Ramsey numbers R(m,n). We show how the computation of R(m,n) can be mapped to a combinatorial optimization problem whose solution can be found using adiabatic quantum evolution. We numerically simulate this adiabatic quantum algorithm and show that it correctly determines the Ramsey numbers R(3,3) and R(2,s) for 5≤s≤7. We then discuss the algorithm's experimental implementation, and close by showing that Ramsey number computation belongs to the quantum complexity class quantum Merlin Arthur.

  13. Quantum correlation dynamics in photosynthetic processes assisted by molecular vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Giorgi, G.L., E-mail: g.giorgi@inrim.it [INRIM, Strada delle Cacce 91, I-10135 Torino (Italy); Roncaglia, M. [INRIM, Strada delle Cacce 91, I-10135 Torino (Italy); Raffa, F.A. [Politecnico di Torino, Dipartimento di Scienza Applicata e Tecnologia, Corso Duca degli Abruzzi 24, I-10129 Torino (Italy); Genovese, M. [INRIM, Strada delle Cacce 91, I-10135 Torino (Italy)

    2015-10-15

    During the long course of evolution, nature has learnt how to exploit quantum effects. In fact, recent experiments reveal the existence of quantum processes whose coherence extends over unexpectedly long time and space ranges. In particular, photosynthetic processes in light-harvesting complexes display a typical oscillatory dynamics ascribed to quantum coherence. Here, we consider the simple model where a dimer made of two chromophores is strongly coupled with a quasi-resonant vibrational mode. We observe the occurrence of wide oscillations of genuine quantum correlations, between electronic excitations and the environment, represented by vibrational bosonic modes. Such a quantum dynamics has been unveiled through the calculation of the negativity of entanglement and the discord, indicators widely used in quantum information for quantifying the resources needed to realize quantum technologies. We also discuss the possibility of approximating additional weakly-coupled off-resonant vibrational modes, simulating the disturbances induced by the rest of the environment, by a single vibrational mode. Within this approximation, one can show that the off-resonant bath behaves like a classical source of noise.

  14. Quantum walks assisted by particle number fluctuations

    Science.gov (United States)

    Vargas-Hernandez, Rodrigo A.; v Krems, Roman

    2017-04-01

    We consider quantum walks of particles governed by lattice Hamiltonians with particle-number changing interactions. We show that such interactions, even if weak, accelerate quantum walks at short times due to Rabi oscillations between different particle number subspaces. We examine the dynamics of quantum walks governed by Hamiltonians arising in the context of D-wave quantum annealing experiments and experiments with excitations of ultracold molecules in optical lattices. The same Hamiltonians describe excitations in ensembles of highly magnetic atoms, such as Dy.

  15. Astronomical random numbers for quantum foundations experiments

    OpenAIRE

    Leung, Calvin; Brown, Amy; Nguyen, Hien; Friedman, Andrew S.; Kaiser, David I.; Gallicchio, Jason

    2017-01-01

    Photons from distant astronomical sources can be used as a classical source of randomness to improve fundamental tests of quantum nonlocality, wave-particle duality, and local realism through Bell's inequality and delayed-choice quantum eraser tests inspired by Wheeler's cosmic-scale Mach-Zehnder interferometer gedankenexperiment. Such sources of random numbers may also be useful for information-theoretic applications such as key distribution for quantum cryptography. Building on the design o...

  16. Random Numbers and Quantum Computers

    Science.gov (United States)

    McCartney, Mark; Glass, David

    2002-01-01

    The topic of random numbers is investigated in such a way as to illustrate links between mathematics, physics and computer science. First, the generation of random numbers by a classical computer using the linear congruential generator and logistic map is considered. It is noted that these procedures yield only pseudo-random numbers since…

  17. Free vibrations of a plate with varying number of supports

    Science.gov (United States)

    Drake, J.; Kang, C. K.; Dowell, E. H.

    1973-01-01

    This experimental investigation tested the accuracy of an analysis which predicts the natural frequencies of vibration of a plate constrained by an arbitrary number of point supports along the edges, and also determined the number of such supports which approximates an infinite number.

  18. Local vibrations and lift performance of low Reynolds number airfoil

    Directory of Open Access Journals (Sweden)

    TariqAmin Khan

    2017-06-01

    Full Text Available The 2D incompressible Navier-Stokes equations are solved based on the finite volume method and dynamic mesh technique is used to carry out partial fluid structure interaction. The local flexible structure (hereinafter termed as flexible structure vibrates in a single mode located on the upper surface of the airfoil. The Influence of vibration frequency and amplitude are examined and the corresponding fluid flow characteristics are investigated which add complexity to the inherent problem in unsteady flow. The study is conducted for flow over NACA0012 airfoil at 600≤Re≤3000 at a low angle of attack. Vibration of flexible structure induces a secondary vortex which modifies the pressure distribution and lift performance of the airfoil. At some moderate vibration amplitude, frequency synchronization or lock-in phenomenon occurs when the vibration frequency is close to the characteristic frequency of rigid airfoil. Evolution and shedding of vortices corresponding to the deformation of flexible structure depends on the Reynolds number. In the case of Re≤1000, the deformation of flexible structure is considered in-phase with the vortex shedding i.e., increasing maximum lift is linked with the positive deformation of flexible structure. At Re=1500 a phase shift of about 1/π exists while they are out-of-phase at Re>1500. Moreover, the oscillation amplitude of lift coefficient increases with increasing vibration amplitude for Re≤1500 while it decreases with increasing vibration amplitude for Re>1500. As a result of frequency lock-in, the average lift coefficient is increased with increasing vibration amplitude for all investigated Reynolds numbers (Re. The maximum increase in the average lift coefficient is 19.72% within the range of investigated parameters.

  19. A coin vibrational motor swimming at low Reynolds number

    CERN Document Server

    Quillen, Alice C; Kelley, Douglas H; Friedmann, Tamar; Oakes, Patrick W

    2016-01-01

    Low-cost coin vibrational motors, used in haptic feedback, exhibit rotational internal motion inside a rigid case. Because the motor case motion exhibits rotational symmetry, when placed into a fluid such as glycerin, the motor does not swim even though its vibrations induce steady streaming in the fluid. However, a piece of rubber foam stuck to the curved case and giving the motor neutral buoyancy also breaks the rotational symmetry allowing it to swim. We measured a 1 cm diameter coin vibrational motor swimming in glycerin at a speed of a body length in 3 seconds or at 3 mm/s. The swim speed puts the vibrational motor in a low Reynolds number regime similar to bacterial motility, but because of the vibration it is not analogous to biological organisms. Rather the swimming vibrational motor may inspire small inexpensive robotic swimmers that are robust as they contain no external moving parts. A time dependent Stokes equation planar sheet model suggests that the swim speed depends on a steady streaming veloc...

  20. Source-Independent Quantum Random Number Generation

    Science.gov (United States)

    Cao, Zhu; Zhou, Hongyi; Yuan, Xiao; Ma, Xiongfeng

    2016-01-01

    Quantum random number generators can provide genuine randomness by appealing to the fundamental principles of quantum mechanics. In general, a physical generator contains two parts—a randomness source and its readout. The source is essential to the quality of the resulting random numbers; hence, it needs to be carefully calibrated and modeled to achieve information-theoretical provable randomness. However, in practice, the source is a complicated physical system, such as a light source or an atomic ensemble, and any deviations in the real-life implementation from the theoretical model may affect the randomness of the output. To close this gap, we propose a source-independent scheme for quantum random number generation in which output randomness can be certified, even when the source is uncharacterized and untrusted. In our randomness analysis, we make no assumptions about the dimension of the source. For instance, multiphoton emissions are allowed in optical implementations. Our analysis takes into account the finite-key effect with the composable security definition. In the limit of large data size, the length of the input random seed is exponentially small compared to that of the output random bit. In addition, by modifying a quantum key distribution system, we experimentally demonstrate our scheme and achieve a randomness generation rate of over 5 ×103 bit /s .

  1. Vibrating soap films An analog for quantum chaos on billiards

    CERN Document Server

    Arcos, E; Cuatlayol, P A; Prian, M L H; Méndez-Sánchez, R A; Hernández-Saldaña, H

    1998-01-01

    We present an experimental setup based on the normal modes of vibrating soap films which shows quantum features of integrable and chaotic billiards. In particular, we obtain the so-called scars -narrow linear regions with high probability along classical periodic orbits- for the classically chaotic billiards. We show that these scars are also visible at low frequencies. Finally, we suggest some applications of our experimental setup in other related two-dimensional wave phenomena.

  2. Inelastic Kondo-Andreev tunneling in a vibrating quantum dot

    Science.gov (United States)

    Cao, Zhan; Fang, Tie-Feng; Sun, Qing-Feng; Luo, Hong-Gang

    2017-03-01

    Phonon-assisted electronic tunneling through a vibrating quantum dot embedded between normal and superconducting leads is studied in the Kondo regime. In such a hybrid device, with the bias applied to the normal lead, we find a series of Kondo sidebands separated by half a phonon energy in the differential conductance, which are distinct from the phonon-assisted sidebands previously observed in conventional Andreev tunneling and in systems with only normal leads. These Kondo sidebands originate from the Kondo-Andreev cooperative cotunneling mediated by phonons, which exhibit an interesting Kondo transport behavior due to the interplay of the Kondo effect, the Andreev tunneling, and the mechanical vibrations. Our result could be observed in a recent experiment setup [J. Gramich et al., Phys. Rev. Lett. 115, 216801 (2015), 10.1103/PhysRevLett.115.216801], provided that their carbon nanotube device reaches the Kondo regime at low temperatures.

  3. Coherence number as a discrete quantum resource

    Science.gov (United States)

    Chin, Seungbeom

    2017-10-01

    We introduce a discrete coherence monotone named the coherence number, which is a generalization of the coherence rank to mixed states. After defining the coherence number in a manner similar to that of the Schmidt number in entanglement theory, we present a necessary and sufficient condition of the coherence number for a coherent state to be converted to an entangled state of nonzero k concurrence (a member of the generalized concurrence family with 2 ≤k ≤d ). As an application of the coherence number to a practical quantum system, Grover's search algorithm of N items is considered. We show that the coherence number remains N and falls abruptly when the success probability of a searching process becomes maximal. This phenomenon motivates us to analyze the depletion pattern of Cc(N ) (the last member of the generalized coherence concurrence, nonzero when the coherence number is N ), which turns out to be an optimal resource for the process since it is completely consumed to finish the searching task. The generalization of the original Grover algorithm with arbitrary (mixed) initial states is also discussed, which reveals the boundary condition for the coherence to be monotonically decreasing under the process.

  4. Quantum teleportation from light beams to vibrational states of a macroscopic diamond

    Science.gov (United States)

    Hou, P.-Y.; Huang, Y.-Y.; Yuan, X.-X.; Chang, X.-Y.; Zu, C.; He, L.; Duan, L.-M.

    2016-01-01

    With the recent development of optomechanics, the vibration in solids, involving collective motion of trillions of atoms, gradually enters into the realm of quantum control. Here, building on the recent remarkable progress in optical control of motional states of diamonds, we report an experimental demonstration of quantum teleportation from light beams to vibrational states of a macroscopic diamond under ambient conditions. Through quantum process tomography, we demonstrate average teleportation fidelity (90.6±1.0)%, clearly exceeding the classical limit of 2/3. The experiment pushes the target of quantum teleportation to the biggest object so far, with interesting implications for optomechanical quantum control and quantum information science. PMID:27240553

  5. Harmonic resolution as a holographic quantum number

    Energy Technology Data Exchange (ETDEWEB)

    Bousso, Raphael

    2004-01-31

    The Bekenstein bound takes the holographic principle into the realm of flat space, promising new insights on the relation of non-gravitational physics to quantum gravity. This makes it important to obtain a precise formulation of the bound. Conventionally, one specifies two macroscopic quantities, mass and spatial width, which cannot be simultaneously diagonalized. Thus, the counting of compatible states is not sharply defined. The resolution of this and other formal difficulties leads naturally to a definition in terms of discretized light-cone quantization. In this form, the area difference specified in the covariant bound converts to a single quantum number, the harmonic resolution K. The Bekenstein bound then states that the Fock space sector with K units of longitudinal momentum contains no more than exp(2 pi^2 K) independent discrete states. This conjecture can be tested unambiguously for a given Lagrangian, and it appears to hold true for realistic field theories, including models arising from string compactifications. For large K, it makes contact with more conventional but less well-defined formulations.

  6. Enhancing light-harvesting power with coherent vibrational interactions: A quantum heat engine picture.

    Science.gov (United States)

    Killoran, N; Huelga, S F; Plenio, M B

    2015-10-21

    Recent evidence suggests that quantum effects may have functional importance in biological light-harvesting systems. Along with delocalized electronic excitations, it is now suspected that quantum coherent interactions with certain near-resonant vibrations may contribute to light-harvesting performance. However, the actual quantum advantage offered by such coherent vibrational interactions has not yet been established. We investigate a quantum design principle, whereby coherent exchange of single energy quanta between electronic and vibrational degrees of freedom can enhance a light-harvesting system's power above what is possible by thermal mechanisms alone. We present a prototype quantum heat engine which cleanly illustrates this quantum design principle and quantifies its quantum advantage using thermodynamic measures of performance. We also demonstrate the principle's relevance in parameter regimes connected to natural light-harvesting structures.

  7. Enhancing light-harvesting power with coherent vibrational interactions: A quantum heat engine picture

    Energy Technology Data Exchange (ETDEWEB)

    Killoran, N.; Huelga, S. F.; Plenio, M. B. [Institut für Theoretische Physik, Universität Ulm, Albert-Einstein-Allee 11, D-89069 Ulm (Germany)

    2015-10-21

    Recent evidence suggests that quantum effects may have functional importance in biological light-harvesting systems. Along with delocalized electronic excitations, it is now suspected that quantum coherent interactions with certain near-resonant vibrations may contribute to light-harvesting performance. However, the actual quantum advantage offered by such coherent vibrational interactions has not yet been established. We investigate a quantum design principle, whereby coherent exchange of single energy quanta between electronic and vibrational degrees of freedom can enhance a light-harvesting system’s power above what is possible by thermal mechanisms alone. We present a prototype quantum heat engine which cleanly illustrates this quantum design principle and quantifies its quantum advantage using thermodynamic measures of performance. We also demonstrate the principle’s relevance in parameter regimes connected to natural light-harvesting structures.

  8. Vibration-induced coherence enhancement of the performance of a biological quantum heat engine.

    Science.gov (United States)

    Chen, Hong-Bin; Chiu, Pin-Yi; Chen, Yueh-Nan

    2016-11-01

    Photosynthesis has been a long-standing research interest due to its fundamental importance. Recently, studies on photosynthesis processes also have inspired attention from a thermodynamical aspect when considering photosynthetic apparatuses as biological quantum heat engines. Quantum coherence is shown to play a crucial role in enhancing the performance of these quantum heat engines. Based on the experimentally reported structure, we propose a quantum heat engine model with a non-Markovian vibrational mode. We show that one can obtain a performance enhancement easily for a wide range of parameters in the presence of the vibrational mode. Our results provide insights into the photosynthetic processes and a design principle mimicking natural organisms.

  9. Vibration-induced coherence enhances the performance of a biological quantum heat engine

    CERN Document Server

    Chen, Hong-Bin; Chen, Yueh-Nan

    2016-01-01

    Photosynthesis has been the long-standing research interest due to its fundamental importance. Recently, studies on photosynthesis processes also inspire attention from thermodynamical aspect when considering photosynthetic apparatuses as biological quantum heat engines. Quantum coherence is shown to play a crucial role in enhancing the performance of these quantum heat engines. Based on the experimentally reported structure, we propose a quantum heat engine model with a non-Markovian vibrational mode. We show that one can obtain a performance enhancement easily for a wide range of parameters in the presence of the vibrational mode. Our results suggest new insights into the photosynthetic processes and a design principle mimicking natural organisms.

  10. Vibrational energy transport in acetylbenzonitrile described by an ab initio-based quantum tier model

    Science.gov (United States)

    Fujisaki, Hiroshi; Yagi, Kiyoshi; Kikuchi, Hiroto; Takami, Toshiya; Stock, Gerhard

    2017-01-01

    Performing comprehensive quantum-chemical calculations, a vibrational Hamiltonian of acetylbenzonitrile is constructed, on the basis of which a quantum-mechanical "tier model" is developed that describes the vibrational dynamics following excitation of the CN stretch mode. Taking into account 36 vibrational modes and cubic and quartic anharmonic couplings between up to three different modes, the tier model calculations are shown to qualitatively reproduce the main findings of the experiments of Rubtsov and coworkers (2011), including the energy relaxation of the initially excited CN mode and the structure-dependent vibrational transport. Moreover, the calculations suggest that the experimentally measured cross-peak among the CN and CO modes does not correspond to direct excitation of the CO normal mode but rather reflects excited low-frequency vibrations that anharmonically couple to the CO mode. Complementary quasiclassical trajectory calculations are found to be in good overall agreement with the quantum calculations.

  11. The Shock and Vibration Digest. Volume 18, Number 9

    Science.gov (United States)

    1986-09-01

    Institute EDITOR: TECHNICAL EDITOR: RESEARCH EDITOR: COPY EDITOR: PRODUCTION: BOARD OF EDITORS R.L. Bort J.D.C. Crisp D.J. Johns B.N...integral formulation, steady cellular elements (tetrahedron and cube), state (earth dams and foundations), and free vibrations (shear walls). The reviewer...Excitation ............ 61 Harbors and Dams ................ 45 Shock Excitation ................ 64 Power Plants .................... 46 Vibration

  12. Quantum wavepacket ab initio molecular dynamics: an approach for computing dynamically averaged vibrational spectra including critical nuclear quantum effects.

    Science.gov (United States)

    Sumner, Isaiah; Iyengar, Srinivasan S

    2007-10-18

    We have introduced a computational methodology to study vibrational spectroscopy in clusters inclusive of critical nuclear quantum effects. This approach is based on the recently developed quantum wavepacket ab initio molecular dynamics method that combines quantum wavepacket dynamics with ab initio molecular dynamics. The computational efficiency of the dynamical procedure is drastically improved (by several orders of magnitude) through the utilization of wavelet-based techniques combined with the previously introduced time-dependent deterministic sampling procedure measure to achieve stable, picosecond length, quantum-classical dynamics of electrons and nuclei in clusters. The dynamical information is employed to construct a novel cumulative flux/velocity correlation function, where the wavepacket flux from the quantized particle is combined with classical nuclear velocities to obtain the vibrational density of states. The approach is demonstrated by computing the vibrational density of states of [Cl-H-Cl]-, inclusive of critical quantum nuclear effects, and our results are in good agreement with experiment. A general hierarchical procedure is also provided, based on electronic structure harmonic frequencies, classical ab initio molecular dynamics, computation of nuclear quantum-mechanical eigenstates, and employing quantum wavepacket ab initio dynamics to understand vibrational spectroscopy in hydrogen-bonded clusters that display large degrees of anharmonicities.

  13. The Shock and Vibration Digest. Volume 13, Number 10

    Science.gov (United States)

    1981-10-01

    rolls. Contact: Dr. Ronald L. Eshleman, The Vibration Institute, 101 West 55th St., Suite 206, Clarendon Hills, IL 60514 - (312) 654-2254...5NH (0703)559122, Ext. 2310. Contact: Dr. Ronald L. Eshleman, Vibration In- stitute, 101 W. 55th St., Suite 206, Clarendon Hills, IL 60514-(312...theory. 81-2172 Dynamic Analyses of Elasto-Plastic Piping Systems Undergoing Large Defomutions J. Heifetz , M. Benjamin, and L. Listvinsky EBASCO

  14. The Shock and Vibration Digest. Volume 15, Number 4

    Science.gov (United States)

    1983-04-01

    turbogenerator rotors, bow behavior, squeeze - film dampers for turbomachinery, advanced concepts in troubleshooting and instrumentation, and case...stiff- ness is substantially constant in this range. Oil- film stiffness at the bearings was found to have a minor effect on vibration transmission...cylinder petrol engine oil- film thicknesses and forces were measured at the main bearings [74]. The vibrations of the bearing panels and the crankshaft

  15. Quantum Random Number Generation on a Mobile Phone

    Directory of Open Access Journals (Sweden)

    Bruno Sanguinetti

    2014-09-01

    Full Text Available Quantum random number generators (QRNGs can significantly improve the security of cryptographic protocols by ensuring that generated keys cannot be predicted. However, the cost, size, and power requirements of current Quantum random number generators have prevented them from becoming widespread. In the meantime, the quality of the cameras integrated in mobile telephones has improved significantly so that now they are sensitive to light at the few-photon level. We demonstrate how these can be used to generate random numbers of a quantum origin.

  16. The Shock and Vibration Digest. Volume 18, Number 10

    Science.gov (United States)

    1986-10-01

    plained. 86-1865 Random Vibration of Rotating Machine« under Earthquake Excitations B, Samali, K.B. Kim, J.N. Yang George Washington Univ...AD-A164 207/3/GAR KEY WORDS: Soils, Constitutive equations Topics in these appendices to An-A164 206 include: stress analysis; Cayley -Hamilton

  17. The Shock and Vibration Digest. Volume 18, Number 6

    Science.gov (United States)

    1986-06-01

    sensitivi- theory. The 1984 text, "Random Vibration in -." ". ties and optimization (2 days), cyclic symmetry Perspective," by Tustin and Mercado , will...Penton Plaza , 222 Palasades Creek Drive 1111 Chester Ave. Richardson, TX 75080 Cleveland, OH 44114 * 86

  18. The Shock and Vibration Digest. Volume 16, Number 2

    Science.gov (United States)

    1984-02-01

    Film Models for U*e in Uncentralized Squeeze - Film Damper Bearing Analysis S.S. Kossa and Ft. A. Cookson Cranfield... dampers , Squeeze - film bearings . Rotors, Vibration control Considerable interest is currently being shown in the develop- ment of computational...described. Sessions will be devoted to flexible rotor balancing including turbogenerator rotors, bow behavior, squeeze - film dampers for

  19. The Shock and Vibration Digest. Volume 18, Number 8

    Science.gov (United States)

    1986-08-01

    addressed [21]. Existing active vibration con- described [11]. Stoppel [12] has critically trollers have been evaluated [22]; suggestions analyzed calculated...London (Sept 1985). 12. Stoppel , J., "Structural Dynamic Aspects of Rotor Antiresonant Isolation," AHS/USARO Intl. 22. Davis, M.W., "Development and

  20. The Shock and Vibration Digest. Volume 18, Number 5

    Science.gov (United States)

    1986-05-01

    Exposure to Vibrating Tools M. Bovenzi La Medicina del Lavoro, 2i, pp 313-321 (1984) 4 figs, 4 tables, 14 refs (in Italian) KEY WORDS: Human... Interna - tional Computers in Engin ’ting Conference and Exhibit], Chicago, IL (212-, 05-7057) 20-24 International Computeta in Engineering Conference

  1. The Shock and Vibration Digest. Volume 14, Number 10

    Science.gov (United States)

    1982-10-01

    Polyurethane Foams ," J. Cell. Plast., 14 (2) (Mar-Apr 1978). 17. Aubrey, D.W. and Sherriff, M., " Viscoelasticity of Rubber-Resin Mixtures," J. Poly...elastomers subjected to static deformations was investigated [15]. Dynamic stiffness and damping data were given for Polyurethane foams used for sound...19. Wong, D.T.H. and Williams, H.L., "Vibration Damping Properties of Polyurethanes ; Dynamic Properties of the Viscoelastic Layers," lnt|. Symp

  2. The Shock and Vibration Digest. Volume 17. Number 7

    Science.gov (United States)

    1985-07-01

    proposing decreases in view of overall fiscal constraints. We need to recognize corporate social responsibility, public-private partnerships, cor- move...WORDS: Violins, Modal analysis Centro de Estudios c Investigaciones Tec- nicas de Guipu’coa, Barrio Ibaeta SIN, The vibrational behavior of a violin is...Germany Rept. No. ISSN -208-5638, 35 pp (1984) Ing. Arch., 11 (5), pp 388-399 (1984) 8 N84-29555 figs, 8 refs (In Getman) - -KEY WORDS: System

  3. The Shock and Vibration Digest, Volume 18, Number 3

    Science.gov (United States)

    1986-03-01

    optimal design of passive suspensions, based tendon control system and an active mass upon statistical analysis of vehicle vibrations and damper system...Space Trusses - . J.A. Teixeira de Freitas, J.P.B. Moitinho de ,-. Almeida, F.B.E. Virtuoso .-. . Universidade Tecnica de Lisboa, Lisbon, Portugal 86...34 Manual on, Aernelasticity," Part U, Aero- dynamic Aspects, Advisory Unfortunately, such information is Group Aeronaut. Res. Dev. often unreliable

  4. The Shock and Vibration Digest. Volume 12, Number 3.

    Science.gov (United States)

    1980-03-01

    Michigan Blvd., Michigan City, Ateliers de Constructions Electriques de Charleroi, IN 46360, National Conf. on Power Transmission, Belgium, In: Von Karman...Tirnoshenko Arcs with Variable CrossSection T. Irie, G. Yamada, and I. Takahashi 80-546 Dept. of Mech. Engrg., Hokkaido Univ., North-13, The Effect of...157452, KU-FRL-417-10, This paper studies in-plane vibrations of Timoshenko arcs 134 pp (July 1979) with variable cross-section by the transfer matrix

  5. The Shock and Vibration Digest, Volume 17, Number 10

    Science.gov (United States)

    1985-10-01

    integration schemes for COSMIC/NASTRAN, MSC/NAS- TRAN, EASE2, STARDYNE, ANSYS, ABAQUS , ADINA, and MARC. is finite elements in biomechanics. re- *.1 view of 36...Shock Excitation ............. 62 Roads and Tracks ............ 42 Vibration Excitation ......... 63 - VEHICLE SYSTEMS ................ 42 MECHANICAL...tangular structural slab -joints for the diffuse Ground-Shock Applications incidence of sound. Some parts of the L. Whitman structure-borne sound energy are

  6. The Shock and Vibration Digest. Volume 12, Number 2,

    Science.gov (United States)

    1980-02-01

    Dynamiques ds a un Balourd aux Attaches Dun Moteur Monte en Pode) B. Schneider Avions Marcel Dassault-Breguet Aviation, Saint- 80-302 Cloud, France, In...see No. 328) 80-398 Energy-State Formulation of Lumped Volume Dy- 80-396 nanic Equations with Application to a Simplified Free Piston Stirling Engine...free may be accomplished either by frequency filtering or by piston Stirling engine. The model was simplified and pro- digital vibration filtering

  7. The Shock and Vibration Digest. Volume 12, Number 10,

    Science.gov (United States)

    1980-10-01

    bearings [243]. A pressurized gas damping, and the vibrations of damped structures. squeeze film has also been used as a journal damper ...2251 Key Words: Bearings , Gas bearings , Journal bearings , Whirl- Torsional Oscillations of the Rotor Disc for Horizon- ing, Squeeze - film dampers tal... Squeeze Film Highly Damped Structures," Shock Vib. Dig., Journal Damper ," Rep. No. NASA-CR-155533 9 (7), pp 3-11 (July 1977). (Dec 1977). 235. Rusnak,

  8. The Assistance of Molecular Vibrations on Coherent Energy Transfer in Photosynthesis from the View of Quantum Heat Engine

    CERN Document Server

    Zhang, Zhedong

    2015-01-01

    Recently the quantum nature in the energy transport in solar cell and light-harvesting complexes have attracted much attention, as being triggered by the experimental observations. We model the light-harvesting complex (i.e., PEB50 dimer) as a quantum heat engine (QHE) and study the effect of the undamped intra-molecule vibrational modes on the coherent energy transfer process and quantum transport. We find that the exciton-vibration interaction has non-trivial contribution to the promotion of quantum yield as well as transport properties of the quantum heat engine at steady state, by enhancing the quantum coherence quantified by entanglement entropy. The perfect quantum yield over 90% has been obtained, with theexciton-vibration coupling. We attribute these improvements to the renormalization of the electronic couplings effectively induced by exciton-vibration interaction and the subsequent delocalization of excitons. Finally we demonstrate that the thermal relaxation and dephasing can help the excitation en...

  9. Interception of excited vibrational quantum states by O2 in atmospheric association reactions.

    Science.gov (United States)

    Glowacki, David R; Lockhart, James; Blitz, Mark A; Klippenstein, Stephen J; Pilling, Michael J; Robertson, Struan H; Seakins, Paul W

    2012-08-31

    Bimolecular reactions in Earth's atmosphere are generally assumed to proceed between reactants whose internal quantum states are fully thermally relaxed. Here, we highlight a dramatic role for vibrationally excited bimolecular reactants in the oxidation of acetylene. The reaction proceeds by preliminary adduct formation between the alkyne and OH radical, with subsequent O(2) addition. Using a detailed theoretical model, we show that the product-branching ratio is determined by the excited vibrational quantum-state distribution of the adduct at the moment it reacts with O(2). Experimentally, we found that under the simulated atmospheric conditions O(2) intercepts ~25% of the excited adducts before their vibrational quantum states have fully relaxed. Analogous interception of excited-state radicals by O(2) is likely common to a range of atmospheric reactions that proceed through peroxy complexes.

  10. Photochromism of Composite Organometallic Nanostructures Based on Diarylethenes. II. Vibrational Spectroscopy and Quantum Chemistry Studies

    Science.gov (United States)

    Vasilyuk, G. T.; Askirka, V. F.; Lavysh, A. V.; Kurguzenkov, S. A.; Yasinskii, V. M.; Kobeleva, O. I.; Valova, T. M.; Ayt, A. O.; Barachevsky, V. A.; Yarovenko, V. N.; Krayushkin, M. M.; Maskevich, S. A.

    2017-11-01

    The structure and photochromic transformations of nanostructured organometallic composites consisting of Ag nanoparticles with shells of photochromic diarylethenes (DAEs) deposited from various solutions onto the nanoparticles were studied using infrared absorption and surface enhanced Raman scattering (SERS) vibrational spectroscopy and quantum chemistry. The studied nanostructures exhibited photochromic properties manifested as reversible photoinduced changes of the relative intensities of SERS bands related to vibrations of bonds participating in the reversible photoisomerization. Spectral manifestations of chemical interaction between metal nanoparticles and DAE molecules were detected.

  11. Vibrational Energy Relaxation: A Benchmark for Mixed Quantum-Classical Methods.

    Science.gov (United States)

    Jain, Amber; Subotnik, Joseph E

    2018-01-11

    We investigate the ability of mixed quantum-classical methods to capture the dynamics of vibrational energy relaxation. Several methods, including surface hopping, and Ehrenfest and symmetrical quasiclassical (SQC) dynamics, are benchmarked for the exactly solvable model problem of a harmonic oscillator bilinearly coupled to a bath of harmonic oscillators. Results show that, very often, one can recover accurate vibrational relaxation rates and detailed balance using simple mixed quantum-classical approaches. A few anomalous results do appear, however, especially regarding Ehrenfest and SQC dynamics.

  12. Vibrational effects in charge transport through a molecular double quantum dot

    Science.gov (United States)

    Sowa, Jakub K.; Mol, Jan A.; Briggs, G. Andrew D.; Gauger, Erik M.

    2017-02-01

    Recent progress in the field of molecular electronics has revealed the fundamental importance of the coupling between the electronic degrees of freedom and specific vibrational modes. Considering the examples of a molecular dimer and a carbon nanotube double quantum dot, we here theoretically investigate transport through a two-site system that is strongly coupled to a single vibrational mode. Using a quantum master equation approach, we demonstrate that, depending on the relative positions of the two dots, electron-phonon interactions can lead to negative differential conductance and suppression of the current through the system. We also discuss the experimental relevance of the presented results and possible implementations of the studied system.

  13. Rabi-vibronic resonance with large number of vibrational quanta

    OpenAIRE

    Glenn, R.; Raikh, M. E.

    2011-01-01

    We study theoretically the Rabi oscillations of a resonantly driven two-level system linearly coupled to a harmonic oscillator (vibrational mode) with frequency, \\omega_0. We show that for weak coupling, \\omega_p \\ll \\omega_0, where \\omega_p is the polaronic shift, Rabi oscillations are strongly modified in the vicinity of the Rabi-vibronic resonance \\Omega_R = \\omega_0, where \\Omega_R is the Rabi frequency. The width of the resonance is (\\Omega_R-\\omega_0) \\sim \\omega_p^{2/3} \\omega_0^{1/3} ...

  14. The Shock and Vibration Digest. Volume 13, Number 3

    Science.gov (United States)

    1981-03-01

    81461 Vibration Kttviiunrornl of dir Space Shuttle Solid Rocket Booaler Motor Durini Stalk TeaU U.U. Mason ar.d M.A. Bearing Thiokol CorpTWasaich...JJ CJ), pu ^J/741 (O. i UJBU) 4 tiys. 2 lablos, ti rot » 81^85 Tbr Kffrcl uf («ruovinK and Burr Skapr un Ihr Stability u( Journal...reviewed. 59 SEALS Kay Woiili ilaalt (ilufifMr«), ()*n|>mu ■MKII, Holotl tm» China alviiiamt) 81-603 TMUMC of TuriHilrnl Std» für KoluirfyManic

  15. Assistance of molecular vibrations on coherent energy transfer in photosynthesis from the view of a quantum heat engine.

    Science.gov (United States)

    Zhang, Zhedong; Wang, Jin

    2015-04-02

    Recently, the quantum nature in the energy transport in solar cells and light-harvesting complexes has attracted much attention as being triggered by the experimental observations. We model the light-harvesting complex (i.e., PEB50 dimer) as a quantum heat engine (QHE) and study the effect of the undamped intramolecule vibrational modes on the coherent energy-transfer process and quantum transport. We find that the exciton-vibration interaction has nontrivial contribution to the promotion of quantum yield as well as transport properties of the QHE at steady state by enhancing the quantum coherence quantified by entanglement entropy. The perfect quantum yield over 90% has been obtained, with the exciton-vibration coupling. We attribute these improvements to the renormalization of the electronic couplings effectively induced by exciton-vibration interaction and the subsequent delocalization of excitons. Finally, we demonstrate that the thermal relaxation and dephasing can help the excitation energy transfer in the PEB50 dimer.

  16. Stark-induced adiabatic Raman ladder for preparing highly vibrationally excited quantum states of molecular hydrogen

    Science.gov (United States)

    Mukherjee, Nandini; Perreault, William E.; Zare, Richard N.

    2017-07-01

    We present a multi-color ladder excitation scheme that exploits Stark-induced adiabatic Raman passage to selectively populate a highly excited vibrational level of a molecule. We suggest that this multi-color coherent ladder excitation provides a practical way of accessing levels near the vibrational dissociation limit as well as the dissociative continuum, which would allow the generation of an entangled pair of fragments with near-zero relative kinetic energy. Specifically, we consider four- and six-photon coherent excitation of molecular hydrogen to high vibrational levels via intermediate vibrational levels, which are pairwise coupled by two-photon resonant interaction. Using a sequence of three partially overlapping, single-mode, nanosecond laser pulses we show that the sixth vibrational level of H2, which is too weakly coupled to be easily accessed by direct two-photon Raman excitation from the ground vibrational level, can be efficiently populated without leaving any population stranded in the intermediate level. Furthermore, we show that the fourteenth vibrational level of H2, which is the highest vibrational level in the ground electronic state with a binding energy of 22 meV, can be efficiently and selectively populated using a sequence of four pulses. The present technique offers the unique possibility of preparing entangled quantum states of H atoms without resorting to an ultracold system.

  17. Vibrational Scattering Anisotropy Generated by Multichannel Quantum Interference

    Science.gov (United States)

    Miron, Catalin; Kimberg, Victor; Morin, Paul; Nicolas, Christophe; Kosugi, Nobuhiro; Gavrilyuk, Sergey; Gel'Mukhanov, Faris

    2010-08-01

    Based on angularly and vibrationally resolved electron spectroscopy measurements in acetylene, we report the first observation of anomalously strong vibrational anisotropy of resonant Auger scattering through the C 1s→π* excited state. We provide a theoretical model explaining the new phenomenon by three coexisting interference effects: (i) interference between resonant and direct photoionization channels, (ii) interference of the scattering channels through the core-excited bending states with orthogonal orientation of the molecular orbitals, (iii) scattering through two wells of the double-well bending mode potential. The interplay of nuclear and electronic motions offers in this case a new type of nuclear wave packet interferometry sensitive to the anisotropy of nuclear dynamics: whether which-path information is available or not depends on the final vibrational state serving for path selection.

  18. Structural, vibrational, NMR, quantum chemical, DNA binding and ...

    Indian Academy of Sciences (India)

    Smith B C 1996 In Infrared Spectral Interpretation. (Boca Raton, FL: CRC Press). 31. Green J H S, Harrison D J and Kynaston W 1971. Spectrochim. Acta A 27 2199. 32. Varsanyi G 1974 In Assignments for Vibrational Spectra of Seven Hundred Benzene Derivatives. Vols. 1 and 2. (Budapest: Adam Hilger). 33. Lutz E T G ...

  19. Quantum control of vibrational excitations in a heteronuclear ...

    Indian Academy of Sciences (India)

    Optimal control theory is applied to obtain infrared laser pulses for selective vibrational excitation in a heteronuclear diatomic molecule. The problem of finding the optimized field is phrased as a maximization of a cost functional which depends on the laser field. A time dependent Gaussian factor is introduced in the field ...

  20. The Shock and Vibration Digest, Volume 14, Number 4

    Science.gov (United States)

    1982-04-01

    to static and/or to fatigue loads. Computer and Monte Carlo simulation techniques for synthe- sizing the stress and strength distributions and the...and co-author’s name, work address and phone number, home address and phone number, brief biography , paper title and paper summary must be sent to...Dynamic Internal friction relates inversely to dynamic modulus in the studied materials. The experimental arrangement consisted of a Marx three-compo

  1. Source-Device-Independent Ultrafast Quantum Random Number Generation

    Science.gov (United States)

    Marangon, Davide G.; Vallone, Giuseppe; Villoresi, Paolo

    2017-02-01

    Secure random numbers are a fundamental element of many applications in science, statistics, cryptography and more in general in security protocols. We present a method that enables the generation of high-speed unpredictable random numbers from the quadratures of an electromagnetic field without any assumption on the input state. The method allows us to eliminate the numbers that can be predicted due to the presence of classical and quantum side information. In particular, we introduce a procedure to estimate a bound on the conditional min-entropy based on the entropic uncertainty principle for position and momentum observables of infinite dimensional quantum systems. By the above method, we experimentally demonstrated the generation of secure true random bits at a rate greater than 1.7 Gbit /s .

  2. The Shock and Vibration Digest. Volume 14, Number 9

    Science.gov (United States)

    1982-09-01

    Words: Beerings, Journal bearings, Sommerfeld number This peper describes an empirical procedure for predicting the performance of journal bearings...Acoustic Modes in Partially Choked Converging Ducts A.H. Nayfeh, J.J. Kelly, and L.T. Watson Virginia Polytechnic Inst. and State Univ., Blacks

  3. Quantum random number generator based on quantum nature of vacuum fluctuations

    Science.gov (United States)

    Ivanova, A. E.; Chivilikhin, S. A.; Gleim, A. V.

    2017-11-01

    Quantum random number generator (QRNG) allows obtaining true random bit sequences. In QRNG based on quantum nature of vacuum, optical beam splitter with two inputs and two outputs is normally used. We compare mathematical descriptions of spatial beam splitter and fiber Y-splitter in the quantum model for QRNG, based on homodyne detection. These descriptions were identical, that allows to use fiber Y-splitters in practical QRNG schemes, simplifying the setup. Also we receive relations between the input radiation and the resulting differential current in homodyne detector. We experimentally demonstrate possibility of true random bits generation by using QRNG based on homodyne detection with Y-splitter.

  4. The Shock and Vibration Digest. Volume 13, Number 9

    Science.gov (United States)

    1981-09-01

    Thermal Stresses with Applica- solids. tions to Airplanes, Missiles, Turbines and Nuclear Reactors , McGraw-Hill, New York (1957). It appears that the...nodal patterns as the clamped circular inside edge and a free outer one number of sides increases from 3 to 8, and extrap - consisting of three arcs...power plants, Foundations, Seismic Seismic response, Nuclear reactors design, Seismic response, Translational response, Rotational response A

  5. Electronic and Vibrational Spectra of InP Quantum Dots Formed by Sequential Ion Implantation

    Science.gov (United States)

    Hall, C.; Mu, R.; Tung, Y. S.; Ueda, A.; Henderson, D. O.; White, C. W.

    1997-01-01

    We have performed sequential ion implantation of indium and phosphorus into silica combined with controlled thermal annealing to fabricate InP quantum dots in a dielectric host. Electronic and vibrational spectra were measured for the as-implanted and annealed samples. The annealed samples show a peak in the infrared spectra near 320/cm which is attributed to a surface phonon mode and is in good agreement with the value calculated from Frolich's theory of surface phonon polaritons. The electronic spectra show the development of a band near 390 nm that is attributed to quantum confined InP.

  6. Experimental measurement-device-independent quantum random-number generation

    Science.gov (United States)

    Nie, You-Qi; Guan, Jian-Yu; Zhou, Hongyi; Zhang, Qiang; Ma, Xiongfeng; Zhang, Jun; Pan, Jian-Wei

    2016-12-01

    The randomness from a quantum random-number generator (QRNG) relies on the accurate characterization of its devices. However, device imperfections and inaccurate characterizations can result in wrong entropy estimation and bias in practice, which highly affects the genuine randomness generation and may even induce the disappearance of quantum randomness in an extreme case. Here we experimentally demonstrate a measurement-device-independent (MDI) QRNG based on time-bin encoding to achieve certified quantum randomness even when the measurement devices are uncharacterized and untrusted. The MDI-QRNG is randomly switched between the regular randomness generation mode and a test mode, in which four quantum states are randomly prepared to perform measurement tomography in real time. With a clock rate of 25 MHz, the MDI-QRNG generates a final random bit rate of 5.7 kbps. Such implementation with an all-fiber setup provides an approach to construct a fully integrated MDI-QRNG with trusted but error-prone devices in practice.

  7. Quantum Measurements Based on Photon Number Resolved Detection

    Science.gov (United States)

    Silberhorn, Christine

    2009-05-01

    The characterization of any quantum system requires measurements, which allows an observer to gain information about a performed experiment. The theory of quantum measurements connects the properties of a quantum state, which is typically defined by its density matrix ρ, and the description of the measurement devices, represented by a positive-operator-valued measure (POVM), with the probabilities of obtaining specific detection outcomes. The way on how we interpret our results depends, on the one hand, on the technical limitations of available detectors, and on the other hand, on our knowledge about the measurement apparatus. Up to recently no practical photon-number resolving detectors were available. Hence most research dealing with multi-photon states is based on homodyne tomography schemes. A time-multiplexing detector (TMD) that is capable to resolve photon statistics can be built from a fiber network followed by avalanche photo-detection. TMDs enable the direct measurement of count statistics, but their moderate efficiency hampers identifying the photon number of each signal state on a single-shot basis. The POVMs describing this detector correspond to loss-degraded photon number measurements, and a precise calibration of the losses can be utilized to recover the original photon number statistics in ensemble measurements by a loss inversion method. However, the knowledge of the photon statistics is not sufficient to completely characterize a state, because photon counting annihilates any information about the coherences between photon numbers. Nevertheless, TMD measurements can render a complete characterization of a density matrix ρ, if the statistics of the displaced states are analyzed. We investigate the capabilities of detector tomography and loss-tolerant detection of photon statistics for the complete characterization of photonic states.

  8. Quantum entanglement of angular momentum states with quantum numbers up to 10,010.

    Science.gov (United States)

    Fickler, Robert; Campbell, Geoff; Buchler, Ben; Lam, Ping Koy; Zeilinger, Anton

    2016-11-29

    Photons with a twisted phase front carry a quantized amount of orbital angular momentum (OAM) and have become important in various fields of optics, such as quantum and classical information science or optical tweezers. Because no upper limit on the OAM content per photon is known, they are also interesting systems to experimentally challenge quantum mechanical prediction for high quantum numbers. Here, we take advantage of a recently developed technique to imprint unprecedented high values of OAM, namely spiral phase mirrors, to generate photons with more than 10,000 quanta of OAM. Moreover, we demonstrate quantum entanglement between these large OAM quanta of one photon and the polarization of its partner photon. To our knowledge, this corresponds to entanglement with the largest quantum number that has been demonstrated in an experiment. The results may also open novel ways to couple single photons to massive objects, enhance angular resolution, and highlight OAM as a promising way to increase the information capacity of a single photon.

  9. Current noise in a vibrating quantum dot array

    DEFF Research Database (Denmark)

    Flindt, Christian; Novotny, Tomas; Jauho, Antti-Pekka

    2004-01-01

    different formulations are presented: (i) quantum regression theorem and (ii) the counting variable approach. It is demonstrated, both analytically and numerically, that the two formulations yield identical results, when the conditions of their respective applicability are fulfilled. We describe the results...... of extensive numerical calculations for current and current noise (Fano factor), based on a solution of a Markovian generalized master equation. The results for the current and noise are further analyzed in terms of Wigner functions, which help to distinguish different transport regimes (in particular......, shuttling versus cotunneling). In the case of weak interdot coupling, the electron transport proceeds via sequential tunneling between neighboring dots. A simple rate equation with the rates calculated analytically from the P(E) theory is developed and shown to agree with the full numerics....

  10. Quantum State Discrimination Using the Minimum Average Number of Copies.

    Science.gov (United States)

    Slussarenko, Sergei; Weston, Morgan M; Li, Jun-Gang; Campbell, Nicholas; Wiseman, Howard M; Pryde, Geoff J

    2017-01-20

    In the task of discriminating between nonorthogonal quantum states from multiple copies, the key parameters are the error probability and the resources (number of copies) used. Previous studies have considered the task of minimizing the average error probability for fixed resources. Here we introduce a new state discrimination task: minimizing the average resources for a fixed admissible error probability. We show that this new task is not performed optimally by previously known strategies, and derive and experimentally test a detection scheme that performs better.

  11. Magneto-dimensional resonance. Pseudospin phase and hidden quantum number

    Science.gov (United States)

    Karasev, M. V.

    2017-07-01

    The Schrödinger operator for a spinless charge inside a layer with parabolic confinement profile and homogeneous magnetic field is considered. The Lorentz (cyclotron) and the confinement frequencies are assumed to be equal to each other. After inclination of the layer normal from the magnetic field direction there appears a pseudospin su(2)-field removing the resonance degeneracy of Landau levels. Under deviations of the layer surface from the plane shape, a longitudinal geometric current is created. In circulations around surface warping, there is a nontrivial quantum phase transition generated by an element of the π1-homotopy group and a hidden degree of freedom (spectral degeneracy) associated with a "charge" of geometric poles on the layer. The quantization rule contains an additional parity index related to the algebraic number of geometric poles and the Landau level number. The resonance pseudospin phase-shift represents an example of general Aharonov-Bohm type topologic phenomena in quantum (semiclassical or adiabatic) systems with delta-function singularities in symplectic structure.

  12. From c-number to q-numbers the classical analogy in the history of quantum theory

    CERN Document Server

    Darrigol, Olivier

    1992-01-01

    The history of quantum theory is a maze of conceptual problems, through which Olivier Darrigol provides a lucid and learned guide, tracking the role of formal analogies between classical and quantum theory. From Planck's first introduction of the quantum of action to Dirac's formulation of quantum mechanics, Darrigol illuminates not only the history of quantum theory but also the role of analogies in scientific thinking and theory change. Unlike previous works, which have tended to focus on qualitative, global arguments, Darrigol's study follows the lines of mathematical reasoning and symbolizing and so is able to show the motivations of early quantum theorists more precisely—and provocatively—than ever before. Erudite and original, From c-Numbers to q-Numbers sets a new standard as a philosophically perceptive and mathematically precise history of quantum mechanics. For years to come it will influence historical and philosophical discussions of twentieth-century physics.

  13. Temperature dependence of X-ray absorption and nuclear magnetic resonance spectra: probing quantum vibrations of light elements in oxides.

    Science.gov (United States)

    Nemausat, Ruidy; Gervais, Christel; Brouder, Christian; Trcera, Nicolas; Bordage, Amélie; Coelho-Diogo, Cristina; Florian, Pierre; Rakhmatullin, Aydar; Errea, Ion; Paulatto, Lorenzo; Lazzeri, Michele; Cabaret, Delphine

    2017-02-22

    A combined experimental-theoretical study on the temperature dependence of the X-ray absorption near-edge structure (XANES) and nuclear magnetic resonance (NMR) spectra of periclase (MgO), spinel (MgAl2O4), corundum (α-Al2O3), berlinite (α-AlPO4), stishovite and α-quartz (SiO2) is reported. Predictive calculations are presented when experimental data are not available. For these light-element oxides, both experimental techniques detect systematic effects related to quantum thermal vibrations which are well reproduced by density-functional theory simulations. In calculations, thermal fluctuations of the nuclei are included by considering nonequilibrium configurations according to finite-temperature quantum statistics at the quasiharmonic level. The influence of nuclear quantum fluctuations on XANES and NMR spectroscopies is particularly sensitive to the coordination number of the probed cation. Furthermore, the relative importance of nuclear dynamics and thermal expansion is quantified over a large range of temperatures.

  14. New solid forms of efavirenz: Synthesis, vibrational spectroscopy and quantum chemical calculations

    Science.gov (United States)

    Marques, Marcelo M.; Rezende, Carlos A.; Lima, Gabriel C.; Marques, Andressa C. S.; Prado, Lívia D.; Leal, Kátia Z.; Rocha, Helvécio V. A.; Ferreira, Gláucio B.; Resende, Jackson A. L. C.

    2017-06-01

    Efavirenz,(S)-6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one, is an anti HIV agent from the class of the non-nucleoside inhibitors of the HIV-1 virus reverse transcriptase. This paper describes the synthesis of two new solvatomorphs of efavirenz (EFV). The results through XRPD and DSC/TG indicate that the new forms undergo a solvent loss over the days, and then return to the original polymorph. Structural and spectral characteristics of EFV were studied by vibrational spectroscopy and quantum chemical methods. Density functional theory (DFT) calculations for the potential energy curve, optimized geometries and vibrational spectra were carried out using 6-311 + G** basis sets and CAM-B3LYP functional, solid state calculations were also performed using DFT-XGGA (PBE-D3) exchange-correlation functional with the option of mixtures of Gaussian and plane waves method (GPW). Based on these results, the paper discussed the correlation between the vibrational modes and the crystalline structure of the most stable form of EFV. A complete analysis of the experimental infrared and Raman spectra was reported on the basis of the wavenumbers of the vibrational bands and the potential energy distribution.

  15. Employing online quantum random number generators for generating truly random quantum states in Mathematica

    Science.gov (United States)

    Miszczak, Jarosław Adam

    2013-01-01

    The presented package for the Mathematica computing system allows the harnessing of quantum random number generators (QRNG) for investigating the statistical properties of quantum states. The described package implements a number of functions for generating random states. The new version of the package adds the ability to use the on-line quantum random number generator service and implements new functions for retrieving lists of random numbers. Thanks to the introduced improvements, the new version provides faster access to high-quality sources of random numbers and can be used in simulations requiring large amount of random data. New version program summaryProgram title: TRQS Catalogue identifier: AEKA_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEKA_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 18 134 No. of bytes in distributed program, including test data, etc.: 2 520 49 Distribution format: tar.gz Programming language: Mathematica, C. Computer: Any supporting Mathematica in version 7 or higher. Operating system: Any platform supporting Mathematica; tested with GNU/Linux (32 and 64 bit). RAM: Case-dependent Supplementary material: Fig. 1 mentioned below can be downloaded. Classification: 4.15. External routines: Quantis software library (http://www.idquantique.com/support/quantis-trng.html) Catalogue identifier of previous version: AEKA_v1_0 Journal reference of previous version: Comput. Phys. Comm. 183(2012)118 Does the new version supersede the previous version?: Yes Nature of problem: Generation of random density matrices and utilization of high-quality random numbers for the purpose of computer simulation. Solution method: Use of a physical quantum random number generator and an on-line service providing access to the source of true random

  16. Unusual quantum interference in the S1 state of DABCO and observation of intramolecular vibrational redistribution.

    Science.gov (United States)

    Poisson, Lionel; Maksimenska, Raman; Soep, Benoît; Mestdagh, Jean-Michel; Parker, David H; Nsangou, Mama; Hochlaf, Majdi

    2010-03-11

    In this paper we report an experimental study of the time-resolved response of the molecule 1,4-diazabicyclo[2.2.2]octane (DABCO) to 266.3 nm electronic excitation of the S(1) state with a femtosecond laser. Rotational decoherence and vibrational oscillation within the S(1) state are observed. We performed state-of-the-art ab initio calculations on the ground and low electronic states of the neutral molecule and the cation, which assist in the assignment of the observed photoelectron signals. Using our theoretical and spectroscopic data, the experimental findings are interpreted in terms of an unusual quantum interference between two different vibrational modes, with only the nu = 1 level of each mode being populated.

  17. Nodeless vibrational amplitudes and quantum nonadiabatic dynamics in the nested funnel for a pseudo Jahn-Teller molecule or homodimer

    Science.gov (United States)

    Peters, William K.; Tiwari, Vivek; Jonas, David M.

    2017-11-01

    The nonadiabatic states and dynamics are investigated for a linear vibronic coupling Hamiltonian with a static electronic splitting and weak off-diagonal Jahn-Teller coupling through a single vibration with a vibrational-electronic resonance. With a transformation of the electronic basis, this Hamiltonian is also applicable to the anti-correlated vibration in a symmetric homodimer with marginally strong constant off-diagonal coupling, where the non-adiabatic states and dynamics model electronic excitation energy transfer or self-exchange electron transfer. For parameters modeling a free-base naphthalocyanine, the nonadiabatic couplings are deeply quantum mechanical and depend on wavepacket width; scalar couplings are as important as the derivative couplings that are usually interpreted to depend on vibrational velocity in semiclassical curve crossing or surface hopping theories. A colored visualization scheme that fully characterizes the non-adiabatic states using the exact factorization is developed. The nonadiabatic states in this nested funnel have nodeless vibrational factors with strongly avoided zeroes in their vibrational probability densities. Vibronic dynamics are visualized through the vibrational coordinate dependent density of the time-dependent dipole moment in free induction decay. Vibrational motion is amplified by the nonadiabatic couplings, with asymmetric and anisotropic motions that depend upon the excitation polarization in the molecular frame and can be reversed by a change in polarization. This generates a vibrational quantum beat anisotropy in excess of 2/5. The amplitude of vibrational motion can be larger than that on the uncoupled potentials, and the electronic population transfer is maximized within one vibrational period. Most of these dynamics are missed by the adiabatic approximation, and some electronic and vibrational motions are completely suppressed by the Condon approximation of a coordinate-independent transition dipole between

  18. Assignment of absolute stereostructures through quantum mechanics electronic and vibrational circular dichroism calculations.

    Science.gov (United States)

    Dai, Peng; Jiang, Nan; Tan, Ren-Xiang

    2016-01-01

    Elucidation of absolute configuration of chiral molecules including structurally complex natural products remains a challenging problem in organic chemistry. A reliable method for assigning the absolute stereostructure is to combine the experimental circular dichroism (CD) techniques such as electronic and vibrational CD (ECD and VCD), with quantum mechanics (QM) ECD and VCD calculations. The traditional QM methods as well as their continuing developments make them more applicable with accuracy. Taking some chiral natural products with diverse conformations as examples, this review describes the basic concepts and new developments of QM approaches for ECD and VCD calculations in solution and solid states.

  19. Comparison of a quantum random number generator with pseudorandom number generators for their use in molecular Monte Carlo simulations.

    Science.gov (United States)

    Ghersi, Dario; Parakh, Abhishek; Mezei, Mihaly

    2017-12-05

    Four pseudorandom number generators were compared with a physical, quantum-based random number generator using the NIST suite of statistical tests, which only the quantum-based random number generator could successfully pass. We then measured the effect of the five random number generators on various calculated properties in different Markov-chain Monte Carlo simulations. Two types of systems were tested: conformational sampling of a small molecule in aqueous solution and liquid methanol under constant temperature and pressure. The results show that poor quality pseudorandom number generators produce results that deviate significantly from those obtained with the quantum-based random number generator, particularly in the case of the small molecule in aqueous solution setup. In contrast, the widely used Mersenne Twister pseudorandom generator and a 64-bit Linear Congruential Generator with a scrambler produce results that are statistically indistinguishable from those obtained with the quantum-based random number generator. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  20. Effect of Temperature and Vibration on Electrical Connectors with Different Number of Contact Cores

    Directory of Open Access Journals (Sweden)

    Song W. L.

    2016-01-01

    Full Text Available In this paper, we presented the results from three related analysis performed by adopting the failure models, which provided an explanation of performance influencing factors caused by different number of contact cores, for the purpose of measuring the temperature change and deformation value, which were the factors causing contact failure. The failures were localized in contact parts of the connectors. Performed investigations included thermal analysis, modal analysis, harmonic response analysis and contact failure analysis. From the results of these simulations, related temperature and vibration analysis nephograms were got respectively. And the correctness of results of thermal analysis was verified by Fourier law. The research results of this paper provide a reference for thermal analysis and vibration analysis of electrical connectors, which is important for ensuring the reliability and safety of electrical connectors.

  1. Quantum computation in algebraic number theory: Hallgren's efficient quantum algorithm for solving Pell's equation

    Science.gov (United States)

    Jozsa, Richard

    2003-08-01

    Pell's equation is x2- dy2=1, where d is a square-free integer and we seek positive integer solutions x, y>0. Let ( x0, y0) be the smallest solution (i.e., having smallest A=x 0+y 0d). Lagrange showed that every solution can easily be constructed from A so given d it suffices to compute A. It is known that A can be exponentially large in d so just to write down A we need exponential time in the input size log d . Hence we introduce the regulator R=ln A and ask for the value of R to n decimal places. The best known classical algorithm has sub-exponential running time O( explog d , poly(n)) . Hallgren's quantum algorithm gives the result in polynomial time O( poly( log d), poly(n)) with probability 1/ poly( log d) . The idea of the algorithm falls into two parts: using the formalism of algebraic number theory we convert the problem of solving Pell's equation into the problem of determining R as the period of a function on the real numbers. Then we generalise the quantum Fourier transform period finding algorithm to work in this situation of an irrational period on the (not finitely generated) abelian group of real numbers. This paper is intended to be accessible to a reader having no prior acquaintance with algebraic number theory; we give a self-contained account of all the necessary concepts and we give elementary proofs of all the results needed. Then we go on to describe Hallgren's generalisation of the quantum period finding algorithm, which provides the efficient computational solution of Pell's equation in the above sense.

  2. Universal damping mechanism of quantum vibrations in deep sub-barrier fusion reactions

    Science.gov (United States)

    Ichikawa, Takatoshi

    2017-11-01

    I demonstrate that the coordinate dependence of the coupling strengths of colliding nuclei is important for describing the deep sub-barrier fusion hindrance. To this end, I firstly show the performance of an extended coupled-channel model by phenomenologically introducing a damping factor in the coupling potential. The damping factor stimulates the damping of quantum vibrations occurring near the touching point of colliding nuclei and introduce a coordinate dependence in the coupling strengths. Next, I directly show the coordinate dependence of the transition strengths of colliding nuclei by microscopically calculating excited states using the random phase approximation method. The obtained transition strengths of colliding nuclei as a function of the center-of-mass distance strongly correlate with the damping factor that reproduces very well the fusion hindrance. This is a direct justification for the concept of the coordinate-dependent coupling strengths. Finally, I conclude that the damping of quantum vibrations near the touching point is the universal mechanism for the deep sub-barrier fusion hindrance.

  3. Vibrational studies of Thyroxine hormone: Comparative study with quantum chemical calculations

    Science.gov (United States)

    Borah, Mukunda Madhab; Devi, Th. Gomti

    2017-11-01

    The FTIR and Raman techniques have been used to record spectra of Thyroxine. The stable geometrical parameters and vibrational wave numbers were calculated based on potential energy distribution (PED) using vibrational energy distribution analysis (VEDA) program. The vibrational energies are assigned to monomer, chain dimer and cyclic dimers of this molecule using the basis set B3LYP/LANL2DZ. The computational scaled frequencies are in good agreements with the experimental results. The study is extended to calculate the HOMO-LUMO energy gap, Molecular Electrostatic Potential (MEP) surface, hardness (η), chemical potential (μ), Global electrophilicity index (ω) and different thermo dynamical properties of Thyroxine in different states. The calculated HOMO-LUMO energies show the charge transfer occurs within the molecule. The calculated Natural bond orbital (NBO) analysis confirms the presence of intra-molecular charge transfer as well as the hydrogen bonding interaction.

  4. Influences of quantum mechanically mixed electronic and vibrational pigment states in 2D electronic spectra of photosynthetic systems: Strong electronic coupling cases

    CERN Document Server

    Fujihashi, Yuta; Ishizaki, Akihito

    2015-01-01

    In 2D electronic spectroscopy studies, long-lived quantum beats have recently been observed in photosynthetic systems, and it has been suggested that the beats are produced by quantum mechanically mixed electronic and vibrational states. Concerning the electronic-vibrational quantum mixtures, the impact of protein-induced fluctuations was examined by calculating the 2D electronic spectra of a weakly coupled dimer with vibrational modes in the resonant condition [J. Chem. Phys. 142, 212403 (2015)]. This analysis demonstrated that quantum mixtures of the vibronic resonance are rather robust under the influence of the fluctuations at cryogenic temperatures, whereas the mixtures are eradicated by the fluctuations at physiological temperatures. However, this conclusion cannot be generalized because the magnitude of the coupling inducing the quantum mixtures is proportional to the inter-pigment coupling. In this study, we explore the impact of the fluctuations on electronic-vibrational quantum mixtures in a strongl...

  5. New insights for mesospheric OH: multi-quantum vibrational relaxation as a driver for non-local thermodynamic equilibrium

    Directory of Open Access Journals (Sweden)

    K. S. Kalogerakis

    2018-01-01

    Full Text Available The question of whether mesospheric OH(v rotational population distributions are in equilibrium with the local kinetic temperature has been debated over several decades. Despite several indications for the existence of non-equilibrium effects, the general consensus has been that emissions originating from low rotational levels are thermalized. Sky spectra simultaneously observing several vibrational levels demonstrated reproducible trends in the extracted OH(v rotational temperatures as a function of vibrational excitation. Laboratory experiments provided information on rotational energy transfer and direct evidence for fast multi-quantum OH(high-v vibrational relaxation by O atoms. We examine the relationship of the new relaxation pathways with the behavior exhibited by OH(v rotational population distributions. Rapid OH(high-v + O multi-quantum vibrational relaxation connects high and low vibrational levels and enhances the hot tail of the OH(low-v rotational distributions. The effective rotational temperatures of mesospheric OH(v are found to deviate from local thermodynamic equilibrium for all observed vibrational levels. Dedicated to Tom G. Slanger in celebration of his 5 decades of research in aeronomy.

  6. Photo-vibrational spectroscopy using quantum cascade laser and laser Doppler vibrometer

    Science.gov (United States)

    Liu, Huan; Hu, Qi; Xie, Jiecheng; Fu, Yu

    2017-06-01

    Photoacoustic/photothermal spectroscopy is an established technique for detection of chemicals and explosives. However, prior sample preparation is required and the analysis is conducted in a sealed space with a high-sensitivity sensor coupled with a lock-in amplifier, limiting the technique to applications in a controllable laboratory environment. Hence, this technique may not be suitable for defense and security applications where the detection of explosives or hazardous chemicals is required in an open environment at a safe standoff distance. In this study, chemicals in various forms were excited by an intensity-modulated quantum cascade laser (QCL), while a laser Doppler vibrometer (LDV) was applied to detect the vibration signal resulting from the photocoustic/photothermal effect. The photo-vibrational spectrum obtained by scanning the QCL's wavelength in MIR range, coincides well with the corresponding spectrum obtained using typical FTIR equipment. The experiment in short and long standoff distances demonstrated that the LDV is a capable sensor for chemical detection in an open environment.

  7. Quantum entanglement between electronic and vibrational degrees of freedom in molecules.

    Science.gov (United States)

    McKemmish, Laura K; McKenzie, Ross H; Hush, Noel S; Reimers, Jeffrey R

    2011-12-28

    We consider the quantum entanglement of the electronic and vibrational degrees of freedom in molecules with tendencies towards double welled potentials. In these bipartite systems, the von Neumann entropy of the reduced density matrix is used to quantify the electron-vibration entanglement for the lowest two vibronic wavefunctions obtained from a model Hamiltonian based on coupled harmonic diabatic potential-energy surfaces. Significant entanglement is found only in the region in which the ground vibronic state contains a density profile that is bimodal (i.e., contains two separate local maxima). However, in this region two distinct types of density and entanglement profiles are found: one type arises purely from the degeneracy of energy levels in the two potential wells and is destroyed by slight asymmetry, while the other arises through strong interactions between the diabatic levels of each well and is relatively insensitive to asymmetry. These two distinct types are termed fragile degeneracy-induced entanglement and persistent entanglement, respectively. Six classic molecular systems describable by two diabatic states are considered: ammonia, benzene, BNB, pyridine excited triplet states, the Creutz-Taube ion, and the radical cation of the "special pair" of chlorophylls involved in photosynthesis. These chemically diverse systems are all treated using the same general formalism and the nature of the entanglement that they embody is elucidated.

  8. pH titration monitored by quantum cascade laser-based vibrational circular dichroism.

    Science.gov (United States)

    Rüther, Anja; Pfeifer, Marcel; Lórenz-Fonfría, Víctor A; Lüdeke, Steffen

    2014-04-10

    Vibrational circular dichroism (VCD) spectra of aqueous solutions of proline were recorded in the course of titrations from basic to acidic pH using a spectrometer equipped with a quantum cascade laser (QCL) as an infrared light source in the spectral range from 1320 to 1220 cm(-1). The pH-dependent spectra were analyzed by singular value decomposition and global fitting of a two-pK Henderson-Hasselbalch model. The analysis delivered relative fractions of the three different protonation species. Their agreement with the relative fractions obtained from performing the same analysis on pH-dependent Fourier transform infrared (FT-IR) and QCL-IR spectra validates the quantitative results from QCL-VCD. Global fitting of the pH-dependent VCD spectra of L-proline allowed for extraction of pure spectra corresponding to anionic, zwitterionic, and cationic L-proline. From a static experiment, only pure spectra of the zwitterion would be accessible in a straightforward way. A comparison to VCD spectra calculated for all three species led to assignment of vibrational modes that are characteristic for the respective protonation states. The study demonstrates the applicability of QCL-VCD both for quantitative evaluation and for qualitative interpretation of dynamic processes in aqueous solutions.

  9. Study of polymorphism in imatinib mesylate: A quantum chemical approach using electronic and vibrational spectra

    Science.gov (United States)

    Srivastava, Anubha; Joshi, B. D.; Tandon, Poonam; Ayala, A. P.; Bansal, A. K.; Grillo, Damián

    2013-02-01

    Imatinib mesylate, 4-(4-methyl-piperazin-1-ylmethyl)-N-u[4-methyl-3-(4-pyridin-3-yl)pyrimidine-2-ylamino)phenyl]benzamide methanesulfonate is a therapeutic drug that is approved for the treatment of chronic myelogeneous leukemia (CML) and gastrointestinal stromal tumors (GIST). It is known that imatinib mesylate exists in two polymorphic forms α and β. However, β-form is more stable than the α-form. In this work, we present a detailed vibrational spectroscopic investigation of β-form by using FT-IR and FT-Raman spectra. These data are supported by quantum mechanical calculations using DFT employing 6-311G(d,p) basis set, which allow us to characterize completely the vibrational spectra of this compound. The FT-IR spectrum of α-form has also been discussed. The importance of hydrogen-bond formation in the molecular packing arrangements of both forms has been examined with the vibrational shifts observed due to polymorphic changes. The red shift of the NH stretching bands in the infrared spectrum from the computed wavenumber indicates the weakening of the NH bond. The UV-vis spectroscopic studies along with the HOMO-LUMO analysis of both polymorphs (α and β) were performed and their chemical activity has been discussed. The TD-DFT method was used to calculate the electronic absorption spectra in the gas phase as well as in the solvent environment using IEF-PCM model and 6-31G basis set. Finally, the results obtained complements to the experimental findings.

  10. Maximizing the Hilbert space for a finite number of distinguishable quantum states.

    Science.gov (United States)

    Greentree, Andrew D; Schirmer, S G; Green, F; Hollenberg, Lloyd C L; Hamilton, A R; Clark, R G

    2004-03-05

    Given a particular quantum computing architecture, how might one optimize its resources to maximize its computing power? We consider quantum computers with a number of distinguishable quantum states, and entangled particles shared between those states. Hilbert-space dimensionality is linked to nonclassicality and, hence, quantum computing power. We find that qutrit-based quantum computers optimize the Hilbert-space dimensionality and so are expected to be more powerful than other qudit implementations. In going beyond qudits, we identify structures with much higher Hilbert-space dimensionalities.

  11. Vinylphosphine-borane: synthesis, gas phase infrared spectroscopy, and quantum chemical vibrational calculations.

    Science.gov (United States)

    Khater, Brahim; Guillemin, Jean-Claude; Benidar, Abdessamad; Bégué, Didier; Pouchan, Claude

    2008-12-14

    Both experimental and theoretical investigations are reported on the infrared spectrum of vinylphosphine-borane (CH(2)=CHPH(2) x BH(3)), a donor-acceptor complex. The gas phase infrared spectra (3500-600 cm(-1)) have been recorded at 0.5 cm(-1) resolution. This first primary alpha,beta-unsaturated phosphine-borane synthesized up to now is kinetically very unstable in the gas phase and decomposes rapidly into two fragments: the free vinylphosphine CH(2)=CHPH(2) and the monoborane BH(3) which dimerizes to form the more stable diborane B(2)H(6). Spectra of free CH(2)=CHPH(2) and B(2)H(6) compounds were also recorded to assign some vibration modes of the complex in very dense spectral regions. The analysis was completed by carrying out quantum mechanical calculations by density functional theory method at the B3LYP/6-31+G(**) level. Anharmonic frequencies and infrared intensities of the two predicted gauche and syn conformers of the vinylphosphine-borane complex were calculated in the 3500-100 cm(-1) region with the use of a variational approach, implemented in the P_ANHAR_V1.2 code. Because of the relatively weak interaction between the vinylphosphine and the monoborane, the vibrations of the complex can easily be subdivided into modes localized in the CH(2)=CHPH(2) and BH(3) moieties and into "intermolecular" modes. Localized modes are unambiguously correlated with the modes of the isolated monomers. Therefore, they are described in terms of the monomer vibrations, and the complexation shifts are defined as Delta nu = nu(complex) - nu(monomer) to make the effect of the complexation precise on each localized mode. In this objective, anharmonic frequencies and infrared intensities of the BH(3) monomer and the stable gauche and syn conformers of the free vinylphosphine were obtained at the same level of theory. In the gas phase, only the syn form of the complex was observed and assigned. All theoretically predicted frequencies and complexation shifts in magnitude and

  12. Large numbers hypothesis. IV - The cosmological constant and quantum physics

    Science.gov (United States)

    Adams, P. J.

    1983-01-01

    In standard physics quantum field theory is based on a flat vacuum space-time. This quantum field theory predicts a nonzero cosmological constant. Hence the gravitational field equations do not admit a flat vacuum space-time. This dilemma is resolved using the units covariant gravitational field equations. This paper shows that the field equations admit a flat vacuum space-time with nonzero cosmological constant if and only if the canonical LNH is valid. This allows an interpretation of the LNH phenomena in terms of a time-dependent vacuum state. If this is correct then the cosmological constant must be positive.

  13. Determination of the X(3872) meson quantum numbers

    Science.gov (United States)

    Gui, Bin

    The Large Hadron Collider beauty (LHCb) is one of the several experiments located at the ring of the Large Hadron Collider (LHC) in Geneva. The LHCb detector is a single arm forward spectrometer and is designed to perform high precision measurements of Charge Parity (CP) violation parameters and rare decays of the beauty and charm hadrons. The detector was successfully operated at a center-of-mass energy of 7 TeV in 2010 and 2011 and at 8 TeV in 2012. Over 3 fb-1 of data has been collected by the LHCb. The LHCb experiment is also well suited for studies on hadron spectroscopy. Besides the well established mesons consisting of quark-antiquark pairs (qq), it has been proposed that "exotic" qqqq mesons could exist. One of the candidates for a four-quark state is the charmonium-like state X(3872) which was first observed by the Belle experiment in 2003. This narrow state has a mass of about 3872 MeV which is located in a region of excited charmonium states (cc). However its mass does not match to any theoretically predicted charmonium state. In order to investigate the nature of this anomalous state, we analyze its quantum number which is the key for its interpretation. The X(3872) events are reconstructed from B+ → X(3872)K+, where X(3872) → pi + pi J/psi, J/psi → mu+mu -; based on 1 fb-1 of 2011 data collected by LHCb detector. We implement a method which is guaranteed by statistics to be the most powerful way to discriminate between spin hypotheses; namely unbinned likelihood ratio test using full angular phase-space. The 5-dimensional analysis shows that 1++ hypothesis is preferred with overwhelming significance. The only alternative assignment allowed by the previous measurements, JPC = 2 -+, is rejected with a confidence level equivalent to more than eight Gaussian standard deviations. This result favors exotic explanations of the X(3872) state, such as a mesonic molecule or a tetraquark.

  14. Physics of lateral triple quantum-dot molecules with controlled electron numbers.

    Science.gov (United States)

    Hsieh, Chang-Yu; Shim, Yun-Pil; Korkusinski, Marek; Hawrylak, Pawel

    2012-11-01

    We review the recent progress in theory and experiments with lateral triple quantum dots with controlled electron numbers down to one electron in each dot. The theory covers electronic and spin properties as a function of topology, number of electrons, gate voltage and external magnetic field. The orbital Hund's rules and Nagaoka ferromagnetism, magnetic frustration and chirality, interplay of quantum interference and electron-electron interactions and geometrical phases are described and related to charging and transport spectroscopy. Fabrication techniques and recent experiments are covered, as well as potential applications of triple quantum-dot molecule in coherent control, spin manipulation and quantum computation.

  15. Relaxation dynamics in quantum dissipative systems: The microscopic effect of intramolecular vibrational energy redistribution

    Energy Technology Data Exchange (ETDEWEB)

    Uranga-Piña, L. [Facultad de Física, Universidad de la Habana, San Lázaro y L, Vedado, 10400 Havana (Cuba); Institute for Chemistry and Biochemistry, Freie Universität Berlin, Takustr. 3, D-14195 Berlin (Germany); Tremblay, J. C., E-mail: jean.c.tremblay@gmail.com [Institute for Chemistry and Biochemistry, Freie Universität Berlin, Takustr. 3, D-14195 Berlin (Germany)

    2014-08-21

    We investigate the effect of inter-mode coupling on the vibrational relaxation dynamics of molecules in weak dissipative environments. The simulations are performed within the reduced density matrix formalism in the Markovian regime, assuming a Lindblad form for the system-bath interaction. The prototypical two-dimensional model system representing two CO molecules approaching a Cu(100) surface is adapted from an ab initio potential, while the diatom-diatom vibrational coupling strength is systematically varied. In the weak system-bath coupling limit and at low temperatures, only first order non-adiabatic uni-modal coupling terms contribute to surface-mediated vibrational relaxation. Since dissipative dynamics is non-unitary, the choice of representation will affect the evolution of the reduced density matrix. Two alternative representations for computing the relaxation rates and the associated operators are thus compared: the fully coupled spectral basis, and a factorizable ansatz. The former is well-established and serves as a benchmark for the solution of Liouville-von Neumann equation. In the latter, a contracted grid basis of potential-optimized discrete variable representation is tailored to incorporate most of the inter-mode coupling, while the Lindblad operators are represented as tensor products of one-dimensional operators, for consistency. This procedure results in a marked reduction of the grid size and in a much more advantageous scaling of the computational cost with respect to the increase of the dimensionality of the system. The factorizable method is found to provide an accurate description of the dissipative quantum dynamics of the model system, specifically of the time evolution of the state populations and of the probability density distribution of the molecular wave packet. The influence of intra-molecular vibrational energy redistribution appears to be properly taken into account by the new model on the whole range of coupling strengths. It

  16. Quantum assembly semantics: The fallacious lingo of occupation numbers

    Science.gov (United States)

    Park, James L.

    1991-01-01

    The usual heuristic description of quantum mechanical assemblies features so-called “occupation numbers” interpreted quite literally. This essay critically compares that point of view with a more rigorous understanding of composite systems based upon a principal lesson of Einstein's paradox and Bell's inequality, viz., that it is fallacious to regard a subsystem as possessing or “occupying” any state whatever.

  17. The effects of vibration loading on adipose stem cell number, viability and differentiation towards bone-forming cells.

    Science.gov (United States)

    Tirkkonen, Laura; Halonen, Heidi; Hyttinen, Jari; Kuokkanen, Hannu; Sievänen, Harri; Koivisto, Anna-Maija; Mannerström, Bettina; Sándor, George K B; Suuronen, Riitta; Miettinen, Susanna; Haimi, Suvi

    2011-12-07

    Mechanical stimulation is an essential factor affecting the metabolism of bone cells and their precursors. We hypothesized that vibration loading would stimulate differentiation of human adipose stem cells (hASCs) towards bone-forming cells and simultaneously inhibit differentiation towards fat tissue. We developed a vibration-loading device that produces 3g peak acceleration at frequencies of 50 and 100 Hz to cells cultured on well plates. hASCs were cultured using either basal medium (BM), osteogenic medium (OM) or adipogenic medium (AM), and subjected to vibration loading for 3 h d(-1) for 1, 7 and 14 day. Osteogenesis, i.e. differentiation of hASCs towards bone-forming cells, was analysed using markers such as alkaline phosphatase (ALP) activity, collagen production and mineralization. Both 50 and 100 Hz vibration frequencies induced significantly increased ALP activity and collagen production of hASCs compared with the static control at 14 day in OM. A similar trend was detected for mineralization, but the increase was not statistically significant. Furthermore, vibration loading inhibited adipocyte differentiation of hASCs. Vibration did not affect cell number or viability. These findings suggest that osteogenic culture conditions amplify the stimulatory effect of vibration loading on differentiation of hASCs towards bone-forming cells.

  18. N Vibrational Temperatures and OH Number Density Measurements in a NS Pulse Discharge Hydrogen-Air Plasmas

    Science.gov (United States)

    Hung, Yichen; Winters, Caroline; Jans, Elijah R.; Frederickson, Kraig; Adamovich, Igor V.

    2017-06-01

    This work presents time-resolved measurements of nitrogen vibrational temperature, translational-rotational temperature, and absolute OH number density in lean hydrogen-air mixtures excited in a diffuse filament nanosecond pulse discharge, at a pressure of 100 Torr and high specific energy loading. The main objective of these measurements is to study a possible effect of nitrogen vibrational excitation on low-temperature kinetics of HO2 and OH radicals. N2 vibrational temperature and gas temperature in the discharge and the afterglow are measured by ns broadband Coherent Anti-Stokes Scattering (CARS). Hydroxyl radical number density is measured by Laser Induced Fluorescence (LIF) calibrated by Rayleigh scattering. The results show that the discharge generates strong vibrational nonequilibrium in air and H2-air mixtures for delay times after the discharge pulse of up to 1 ms, with peak vibrational temperature of Tv ≈ 2000 K at T ≈ 500 K. Nitrogen vibrational temperature peaks ≈ 200 μs after the discharge pulse, before decreasing due to vibrational-translational relaxation by O atoms (on the time scale of a few hundred μs) and diffusion (on ms time scale). OH number density increases gradually after the discharge pulse, peaking at t 100-300 μs and decaying on a longer time scale, until t 1 ms. Both OH rise time and decay time decrease as H2 fraction in the mixture is increased from 1% to 5%. OH number density in a 1% H2-air mixture peaks at approximately the same time as vibrational temperature in air, suggesting that OH kinetics may be affected by N2 vibrational excitation. However, preliminary kinetic modeling calculations demonstrate that OH number density overshoot is controlled by known reactions of H and O radicals generated in the plasma, rather than by dissociation by HO2 radical in collisions with vibrationally excited N2 molecules, as has been suggested earlier. Additional measurements at higher specific energy loadings and kinetic modeling

  19. Sharp transitions in low-number quantum dots Bayesian magnetometry

    Science.gov (United States)

    Mazurek, Paweł; Horodecki, Michał; Czekaj, Łukasz; Horodecki, Paweł

    2016-09-01

    We consider Bayesian estimate of static magnetic field, characterized by a prior Gaussian probability distribution, in systems of a few electron quantum dot spins interacting with infinite temperature spin environment via hyperfine interaction. Sudden transitions among optimal states and measurements are observed. Usefulness of measuring occupation levels is shown for all times of the evolution, together with the role of entanglement in the optimal scenario. For low values of magnetic field, memory effects stemming from the interaction with environment provide limited metrological advantage.

  20. Implementations of quantum and classical gates with linear optical devices and photon number quantum non-demolition measurement for polarization encoded qubits

    Energy Technology Data Exchange (ETDEWEB)

    Rosa Silva, Joao Batista [Department of Teleinformatic Engineering, Federal University of Ceara, Campus do Pici, 710, C.P. 6007, 60755-640 Fortaleza-Ceara (Brazil)]. E-mail: joaobrs@deti.ufc.br; Ramos, Rubens Viana [Department of Teleinformatic Engineering, Federal University of Ceara, Campus do Pici, 710, C.P. 6007, 60755-640 Fortaleza-Ceara (Brazil)]. E-mail: rubens@deti.ufc.br

    2006-12-11

    Aiming the construction of quantum computers and quantum communication systems based on optical devices, in this work we present possible implementations of quantum and classical CNOTs gates, as well an optical setup for generation and distribution of bipartite entangled states, using linear optical devices and photon number quantum non-demolition measurement.

  1. Multi-objective genetic algorithm optimization of 2D- and 3D-Pareto fronts for vibrational quantum processes

    Energy Technology Data Exchange (ETDEWEB)

    Gollub, C; De Vivie-Riedle, R [LMU Department Chemie, Butenandt-Str. 11, 81377 Muenchen (Germany)], E-mail: Caroline.Gollub@cup.uni-muenchen.de, E-mail: Regina.de_Vivie@cup.uni-muenchen.de

    2009-01-15

    A multi-objective genetic algorithm is applied to optimize picosecond laser fields, driving vibrational quantum processes. Our examples are state-to-state transitions and unitary transformations. The approach allows features of the shaped laser fields and of the excitation mechanisms to be controlled simultaneously with the quantum yield. Within the parameter range accessible to the experiment, we focus on short pulse durations and low pulse energies to optimize preferably robust laser fields. Multidimensional Pareto fronts for these conflicting objectives could be constructed. Comparison with previous work showed that the solutions from Pareto optimizations and from optimal control theory match very well.

  2. Multi-objective genetic algorithm optimization of 2D- and 3D-Pareto fronts for vibrational quantum processes

    Science.gov (United States)

    Gollub, C.; de Vivie-Riedle, R.

    2009-01-01

    A multi-objective genetic algorithm is applied to optimize picosecond laser fields, driving vibrational quantum processes. Our examples are state-to-state transitions and unitary transformations. The approach allows features of the shaped laser fields and of the excitation mechanisms to be controlled simultaneously with the quantum yield. Within the parameter range accessible to the experiment, we focus on short pulse durations and low pulse energies to optimize preferably robust laser fields. Multidimensional Pareto fronts for these conflicting objectives could be constructed. Comparison with previous work showed that the solutions from Pareto optimizations and from optimal control theory match very well.

  3. Vortex-induced vibrations of three staggered circular cylinders at low Reynolds numbers

    Science.gov (United States)

    Behara, Suresh; Ravikanth, B.; Chandra, Venu

    2017-08-01

    Vortex-induced vibrations of three staggered circular cylinders are investigated via two-dimensional finite element computations. All the cylinders are of equal diameter (D) and are mounted on elastic supports in both streamwise (x -) and transverse (y -) directions. The two downstream cylinders are placed symmetrically on either side of the upstream body at a streamwise gap of 5D, with the vertical distance between them being 3D. Flow simulations are carried out for Reynolds numbers (Re) in the range of Re = 60-160. Reduced mass (m*) of 10 is considered and the damping is set to zero value. The present investigations show that the upstream cylinder exhibits initial and lower synchronization response modes like an isolated cylinder does at low Re. Whereas for both the downstream cylinders, the upper lock-in branch also appears. The initial and the upper modes are characterized by periodic oscillations, while the lower lock-in branch is associated with nonperiodic vibrations. The 2S mode of vortex shedding is observed in the near wake of all the cylinders for all Re, except for the upper branch corresponding to the downstream bodies. In the upper branch, both the downstream cylinders shed the primary vortices of the P+S mode. For the upstream cylinder, the phase between lift and the transverse displacement exhibits a 18 0° jump at certain Re in the lower branch. On the other hand, the downstream bodies undergo transverse oscillations in phase with lift in all lock-in modes, while the phase jumps by 18 0° as the oscillation response reaches the desynchronization regime.

  4. L^2-Betti numbers of rigid C*-tensor categories and discrete quantum groups

    DEFF Research Database (Denmark)

    Kyed, David; Raum, Sven; Vaes, Stefaan

    2017-01-01

    of the representation category $Rep(G)$ and thus, in particular, invariant under monoidal equivalence. As an application, we obtain several new computations of $L^2$-Betti numbers for discrete quantum groups, including the quantum permutation groups and the free wreath product groups. Finally, we obtain upper bounds...

  5. Direct quantum mechanical/molecular mechanical simulations of two-dimensional vibrational responses: N-methylacetamide in water

    Energy Technology Data Exchange (ETDEWEB)

    Jeon, Jonggu; Cho, Minhaeng, E-mail: mcho@korea.ac.k [Department of Chemistry, Korea University, Seoul 136-701 (Korea, Republic of)

    2010-06-15

    Multidimensional infrared (IR) spectroscopy has emerged as a viable tool to study molecular structure and dynamics in condensed phases, and the third-order vibrational response function is the central quantity underlying various nonlinear IR spectroscopic techniques, such as pump-probe, photon echo and two-dimensional (2D) IR spectroscopy. In this paper, a new computational method is presented that calculates this nonlinear response function in the classical limit from a series of classical molecular dynamics (MD) simulations, employing a quantum mechanical/molecular mechanical (QM/MM) force field. The method relies on the stability matrix formalism where the dipole-dipole quantum mechanical commutators appearing in the exact quantum response function are replaced by the corresponding Poisson brackets. We present the formulation and computational algorithm of the method for both the classical and the QM/MM force fields and apply it to the 2D IR spectroscopy of carbon monoxide (CO) and N-methylacetamide (NMA), each solvated in a water cluster. The conventional classical force field with harmonic bond potentials is shown to be incapable of producing a reliable 2D IR signal because intramolecular vibrational anharmonicity, essential to the production of the nonlinear signal, is absent in such a model. The QM/MM force field, on the other hand, produces distinct 2D spectra for the NMA and CO systems with clear vertical splitting and cross peaks, reflecting the vibrational anharmonicities and the vibrational couplings between the underlying vibrational modes, respectively. In the NMA spectrum, the coupling between the amide I and II modes is also well reproduced. While attaining the converged spectrum is found to be challenging with this method, with an adequate amount of computing it can be straightforwardly applied to new systems containing multiple chromophores with little modeling effort, and therefore it would be useful in understanding the multimode 2D IR spectrum

  6. Quantum control spectroscopy of vibrational modes: Comparison of control scenarios for ground and excited states in {beta}-carotene

    Energy Technology Data Exchange (ETDEWEB)

    Hauer, Juergen; Buckup, Tiago [Fachbereich Chemie, Physikalische Chemie, Philipps-Universitaet Marburg, Hans-Meerwein-Strasse, D-35043 Marburg (Germany); Motzkus, Marcus [Fachbereich Chemie, Physikalische Chemie, Philipps-Universitaet Marburg, Hans-Meerwein-Strasse, D-35043 Marburg (Germany)], E-mail: motzkus@staff.uni-marburg.de

    2008-06-23

    Quantum control spectroscopy (QCS) is used as a tool to study, address selectively and enhance vibrational wavepacket motion in large solvated molecules. By contrasting the application of Fourier-limited and phase-modulated excitation on different electronic states, the interplay between the controllability of vibrational coherence and electronic resonance is revealed. We contrast control on electronic ground and excited state by introducing an additional pump beam prior to a DFWM-sequence (Pump-DFWM). Via phase modulation of this initial pump pulse, coherent control is extended to structural evolution on the vibrationally hot ground state (hot-S{sub 0}) and lowest lying excited state (S{sub 1}) of {beta}-carotene. In an open loop setup, the control scenarios for these different electronic states are compared in their effectiveness and mechanism.

  7. Generation of a superposition of odd photon number states for quantum information networks

    DEFF Research Database (Denmark)

    Neergaard-Nielsen, Jonas Schou; Nielsen, B.; Hettich, C.

    2006-01-01

    Quantum information networks, quantum memories, quantum repeaters, linear optics quantum computers Udgivelsesdato: 25 August......Quantum information networks, quantum memories, quantum repeaters, linear optics quantum computers Udgivelsesdato: 25 August...

  8. Quantum correlation properties in Matrix Product States of finite-number spin rings

    Science.gov (United States)

    Zhu, Jing-Min; He, Qi-Kai

    2018-02-01

    The organization and structure of quantum correlation (QC) of quantum spin-chains are very rich and complex. Hence the depiction and measures about the QC of finite-number spin rings deserved to be investigated intensively by using Matrix Product States(MPSs) in addition to the case with infinite-number. Here the dependencies of the geometric quantum discord(GQD) of two spin blocks on the total spin number, the spacing spin number and the environment parameter are presented in detail. We also compare the GQD with the total correlation(TC) and the classical correlation(CC) and illustrate its characteristics. Predictably, our findings may provide the potential of designing the optimal QC experimental detection proposals and pave the way for the designation of optimal quantum information processing schemes.

  9. Quantum chemical and experimental studies on the structure and vibrational spectra of an alkaloid-Corlumine

    Science.gov (United States)

    Mishra, Rashmi; Joshi, Bhawani Datt; Srivastava, Anubha; Tandon, Poonam; Jain, Sudha

    2014-01-01

    The study concentrates on an important natural product, phthalide isoquinoline alkaloid Corlumine (COR) [(6R)-6-[(1S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methylisoquinolin-1-yl] furo [3,4-e]-1,3-benzodioxol-8(6H)-one] well known to exhibit spasmolytic and GABA antagonist activity. It was fully characterized by a variety of experimental methods including vibrational spectroscopy (IR and Raman), thermal analysis (DSC), UV and SEM. For a better interpretation and analysis of the results quantum chemical calculations employing DFT were also performed. TD-DFT was employed to elucidate electronic properties for both gaseous and solvent environment using IEF-PCM model. Graphical representation of HOMO and LUMO would provide a valuable insight into the nature of reactivity and some of the structural and physical properties of the title molecule. The structure-activity relationship have been interpreted by mapping electrostatic potential surface (MEP), which is valuable information for the quality control of medicines and drug-receptor interactions. Stability of the molecule arising from hyper conjugative interactions, charge delocalisation has been analyzed using natural bond orbital (NBO) analysis. Computation of thermodynamical properties would help to have a deep insight into the molecule for further applications.

  10. Rectifying the output of vibrational piezoelectric energy harvester using quantum dots.

    Science.gov (United States)

    Li, Lijie

    2017-03-20

    Piezoelectric energy harvester scavenges mechanical vibrations and generates electricity. Researchers have strived to optimize the electromechanical structures and to design necessary external power management circuits, aiming to deliver high power and rectified outputs ready for serving as batteries. Complex deformation of the mechanical structure results in charges with opposite polarities appearing on same surface, leading to current loss in the attached metal electrode. External power management circuits such as rectifiers comprise diodes that consume power and have undesirable forward bias. To address the above issues, we devise a novel integrated piezoelectric energy harvesting device that is structured by stacking a layer of quantum dots (QDs) and a layer of piezoelectric material. We find that the QD can rectify electrical charges generated from the piezoelectric material because of its adaptable conductance to the electrochemical potentials of both sides of the QDs layer, so that electrical current causing energy loss on the same surface of the piezoelectric material can be minimized. The QDs layer has the potential to replace external rectification circuits providing a much more compact and less power-consumption solution.

  11. Efficient Raman generation in a waveguide: A route to ultrafast quantum random number generation

    Energy Technology Data Exchange (ETDEWEB)

    England, D. G.; Bustard, P. J.; Moffatt, D. J.; Nunn, J.; Lausten, R.; Sussman, B. J., E-mail: ben.sussman@nrc.ca [National Research Council of Canada, 100 Sussex Drive, Ottawa, Ontario K1A 0R6 (Canada)

    2014-02-03

    The inherent uncertainty in quantum mechanics offers a source of true randomness which can be used to produce unbreakable cryptographic keys. We discuss the development of a high-speed random number generator based on the quantum phase fluctuations in spontaneously initiated stimulated Raman scattering (SISRS). We utilize the tight confinement and long interaction length available in a Potassium Titanyl Phosphate waveguide to generate highly efficient SISRS using nanojoule pulse energies, reducing the high pump power requirements of the previous approaches. We measure the random phase of the Stokes output using a simple interferometric setup to yield quantum random numbers at 145 Mbps.

  12. Random Number Generation for Petascale Quantum Monte Carlo

    Energy Technology Data Exchange (ETDEWEB)

    Ashok Srinivasan

    2010-03-16

    The quality of random number generators can affect the results of Monte Carlo computations, especially when a large number of random numbers are consumed. Furthermore, correlations present between different random number streams in a parallel computation can further affect the results. The SPRNG software, which the author had developed earlier, has pseudo-random number generators (PRNGs) capable of producing large numbers of streams with large periods. However, they had been empirically tested on only thousand streams earlier. In the work summarized here, we tested the SPRNG generators with over a hundred thousand streams, involving over 10^14 random numbers per test, on some tests. We also tested the popular Mersenne Twister. We believe that these are the largest tests of PRNGs, both in terms of the numbers of streams tested and the number of random numbers tested. We observed defects in some of these generators, including the Mersenne Twister, while a few generators appeared to perform well. We also corrected an error in the implementation of one of the SPRNG generators.

  13. Vortex-Induced Vibration Tests of a Marine Growth Wrapped Cylinder at Subcritical Reynolds Number

    Directory of Open Access Journals (Sweden)

    Kurian V. J.

    2017-01-01

    Full Text Available Vortex Induced Vibrations (VIV may cause great damage to deep water risers. Estimation of accurate hydrodynamic coefficients and response amplitudes for fouled tubular cylinders subjected to VIVs is a complex task. This paper presents the results of an extensive experimental investigation on in-line and cross-flow forces acting on cylinders wrapped with marine growth, subjected to current at Subcritical Reynolds Number. The drag and lift force coefficients have been determined through the use of the Fast Fourier Analysis methods. The different tests were conducted in the offshore engineering laboratory at Universiti Teknologi PETRONAS (UTP, Malaysia. In this study, a cylinder with outer diameter Do = 27 mm, fixed at top as cantilever beam was used. The in-line and cross-flow forces were measured using VIV Force Totaller (VIVFT. VIVFT is a two degree of freedom (2DOF forces sensor developed by UTP to measure the VIV forces. The tests were conducted for current velocity varied between 0.118 to 0.59 m/s. The test results suggest that the cylinder wrapped with marine growth has shown an overall increase in drag and inertia coefficients as well as on response amplitudes.

  14. Finite number of states, de Sitter space and quantum groups at roots of unity

    Energy Technology Data Exchange (ETDEWEB)

    Pouliot, Philippe [Physics Department, Queen Mary, University of London, London E1 4NS (United Kingdom)

    2004-01-07

    This paper explores the use of a deformation by a root of unity as a tool to build models with a finite number of states for applications to quantum gravity. The initial motivation for this work was cosmological breaking of supersymmetry. We explain why the project was unsuccessful. What is left are some observations on supersymmetry for q-bosons, an analogy between black holes in de Sitter and properties of quantum groups, and an observation on a noncommutative quantum mechanics model with two degrees of freedom, depending on one parameter. When this parameter is positive, the spectrum has a finite number of states; when it is negative or zero, the spectrum has an infinite number of states. This exhibits a desirable feature of quantum physics in de Sitter space, albeit in a very simple, non-gravitational context.

  15. Quantum non-demolition measurement of photon number using weak nonlinearities

    Science.gov (United States)

    Gerry, Christopher C.; Bui, Trung

    2008-12-01

    We propose an alternative method for the quantum non-demolition measurement of photon numbers wherein weak cross-Kerr nonlinearities are to be used. The usual approach to quantum non-demolition measurements of quantum number involves encoding the photon number, through a cross-Kerr interaction, into a phase shift of a probe coherent state which is then detected through balanced homodyning. Weak nonlinearities produce small phase shifts which are difficult to detect and distinguish. In the method we propose, unbalanced homodyning acts as a displacement operator on the probe beam coherent state such that the cross-Kerr interaction encodes the photon number into the amplitude of a new coherent state. The value of the photon number can be determined by inefficient photon counting on the new coherent state. Our proposed method requires fewer resources than does the usual approach.

  16. Quantum non-demolition measurement of photon number using weak nonlinearities

    Energy Technology Data Exchange (ETDEWEB)

    Gerry, Christopher C. [Department of Physics and Astronomy, Lehman College, City University of New York, Bronx, NY 10468-1589 (United States)], E-mail: christopher.gerry@lehman.cuny.edu; Bui, Trung [Department of Physics and Astronomy, Lehman College, City University of New York, Bronx, NY 10468-1589 (United States)

    2008-12-08

    We propose an alternative method for the quantum non-demolition measurement of photon numbers wherein weak cross-Kerr nonlinearities are to be used. The usual approach to quantum non-demolition measurements of quantum number involves encoding the photon number, through a cross-Kerr interaction, into a phase shift of a probe coherent state which is then detected through balanced homodyning. Weak nonlinearities produce small phase shifts which are difficult to detect and distinguish. In the method we propose, unbalanced homodyning acts as a displacement operator on the probe beam coherent state such that the cross-Kerr interaction encodes the photon number into the amplitude of a new coherent state. The value of the photon number can be determined by inefficient photon counting on the new coherent state. Our proposed method requires fewer resources than does the usual approach.

  17. Rényi entropies and topological quantum numbers in 2D gapped Dirac materials

    Energy Technology Data Exchange (ETDEWEB)

    Bolívar, Juan Carlos; Romera, Elvira, E-mail: eromera@ugr.es

    2017-05-25

    New topological quantum numbers are introduced by analyzing complexity measures and relative Rényi entropies in silicene in the presence of perpendicular electric and magnetic fields. These topological quantum numbers characterize the topological insulator and band insulator phases in silicene. In addition, we have found that, these information measures reach extremum values at the charge neutrality points. These results are valid for other 2D gapped Dirac materials analogous to silicene with a buckled honeycomb structure and a significant spin-orbit coupling. - Highlights: • Topological quantum numbers (Chern-like numbers) by Rényi entropies in silicene. • These topological numbers characterize silicene topological and band insulator phases. • These information measures reach extremum values at the charge neutrality points. • These results are valid for other 2D gapped Dirac materials analogous to silicene.

  18. Quantum Flows for Secret Key Distribution in the Presence of the Photon Number Splitting Attack

    Directory of Open Access Journals (Sweden)

    Luis A. Lizama-Pérez

    2014-06-01

    Full Text Available Physical implementations of quantum key distribution (QKD protocols, like the Bennett-Brassard (BB84, are forced to use attenuated coherent quantum states, because the sources of single photon states are not functional yet for QKD applications. However, when using attenuated coherent states, the relatively high rate of multi-photonic pulses introduces vulnerabilities that can be exploited by the photon number splitting (PNS attack to brake the quantum key. Some QKD protocols have been developed to be resistant to the PNS attack, like the decoy method, but those define a single photonic gain in the quantum channel. To overcome this limitation, we have developed a new QKD protocol, called ack-QKD, which is resistant to the PNS attack. Even more, it uses attenuated quantum states, but defines two interleaved photonic quantum flows to detect the eavesdropper activity by means of the quantum photonic error gain (QPEG or the quantum bit error rate (QBER. The physical implementation of the ack-QKD is similar to the well-known BB84 protocol.

  19. Dependence of the modulation response of quantum dot based nanocavity devices on the number of emitters

    DEFF Research Database (Denmark)

    Lorke, Michael; Nielsen, Torben Roland; Mørk, Jesper

    2011-01-01

    A microscopic theory is used to study the dynamical properties of semiconductor quantum dot based nanocavity laser systems. The carrier kinetics and photon populations are determined using a fully quantum mechanical treatment of the light‐matter coupling. In this work, we investigate the dependency...... of the modulation response in such devices on the number of emitters coupled to the cavity mode. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)...

  20. Vibrationally enhanced associative photodesorption of H{sub 2} (D{sub 2}) from Ru(0001). Quantum and classical approaches

    Energy Technology Data Exchange (ETDEWEB)

    Vazhappilly, Tijo Joseph

    2008-04-15

    This thesis investigates the femtosecond laser induced associative photodesorption of hydrogen, H{sub 2}, and deuterium, D{sub 2}, from a ruthenium metal surface. One of the goals of the present thesis is to suggest, on the basis of theoretical simulations, strategies to control/enhance the photodesorption yield from Ru(0001). For this purpose, we suggest a hybrid scheme to control the reaction, where the adsorbate vibrations are initially excited by an infrared (IR) pulse, prior to the vis pulse. Both adiabatic and non-adiabatic representations for photoinduced desorption problems are employed here. The adiabatic representation is realized within the classical picture using Molecular Dynamics (MD) with electronic frictions. In a quantum mechanical description, non-adiabatic representations are employed within open-system density matrix theory. The time evolution of the desorption process is studied using a two-mode reduced dimensionality model with one vibrational coordinate and one translational coordinate of the adsorbate. The ground and excited electronic state potentials, and dipole function for the IR excitation are taken from first principles. The IR driven vibrational excitation of adsorbate modes with moderate efficiency is achieved by (modified) {pi}-pulses or/and optimal control theory. The fluence dependence of the desorption reaction is computed by including the electronic temperature of the metal calculated from the two-temperature model. We then employed the IR+vis strategy in both models. Here, we found that vibrational excitation indeed promotes the desorption of hydrogen and deuterium. (orig.)

  1. On quantum statistics for ensembles with a finite number of particles

    Energy Technology Data Exchange (ETDEWEB)

    Trifonov, Evgenii D [Herzen State Pedagogical University, St.-Petersburg (Russian Federation)

    2011-07-31

    The well-known Bose-Einstein and Fermi-Dirac quantum distributions can be considered as stationary solutions of kinetic equations for the mean occupation numbers in an ideal gas of an arbitrary finite number of identical particles. (methodological notes)

  2. Coupled dynamics of vortex-induced vibration and stationary wall at low Reynolds number

    Science.gov (United States)

    Li, Zhong; Jaiman, Rajeev K.; Khoo, Boo Cheong

    2017-09-01

    The flow past an elastically mounted circular cylinder placed in proximity to a plane wall is numerically studied in both two dimensions (2D) and three dimensions (3D). This paper aims to explain the mechanism of the cylinder bottom shear layer roll-up suppression in the context of laminar vortex-induced vibration (VIV) of a cylinder placed in the vicinity of a plane stationary wall. In 2D simulations, VIV of a near-wall cylinder with structure-to-displaced fluid mass ratios of m* = 2 and 10 is investigated at the Reynolds number of Re = 100 at a representative gap ratio of e/D = 0.90, where e denotes the gap distance between the cylinder surface and the plane wall. First, the cylinder is placed at five different upstream distances, LU, to study the effects of the normalized wall boundary layer thickness, δ /D , on the hydrodynamic quantities involved in the VIV of a near-wall cylinder. It is found that the lock-in range shifts towards the direction of the higher reduced velocity Ur as δ /D increases and that the lock-in range widens as m* reduces. Second, via visualization of the vortex shedding patterns, four different modes are classified and the regime maps are provided for both m* = 2 and 10. Third, the proper orthogonal decomposition analysis is employed to assess the cylinder bottom shear layer roll-up suppression mechanism. For 3D simulations at Re = 200, the circular cylinder of a mass ratio of m* = 10 with a spanwise length of 4D is placed at a gap ratio of e/D = 0.90 and an upstream distance of LU = 10D. The 3D vortex patterns are investigated to re-affirm the vortex shedding suppression mechanism. The pressure distributions around the cylinder are identified within one oscillation cycle of VIV. The pressure and the shear stress distributions on the bottom wall are examined to demonstrate the effects of near-wall VIV on the force distributions along the plane wall. It is found that both the suction pressure and the shear stress right below the cylinder

  3. Is the K-quantum number conserved in the order-to-chaos transittion region?

    DEFF Research Database (Denmark)

    Benzoni...[], G.; Døssing, T.; Herskind, B.

    2005-01-01

    To study the order-to-chaos transition in nuclei we investigate the validity of the K-quantum number in the excited rapidly rotating 163Er nucleus, analyzing the variance and covariance of the spectrum fluctuations of ¿-cascades feeding into low-K and high-K bands. The data are compared to simula......To study the order-to-chaos transition in nuclei we investigate the validity of the K-quantum number in the excited rapidly rotating 163Er nucleus, analyzing the variance and covariance of the spectrum fluctuations of ¿-cascades feeding into low-K and high-K bands. The data are compared...

  4. Quantum Interference in the Vibrational Relaxation of the O-H Stretch Overtone of Liquid H2O.

    Science.gov (United States)

    van der Post, Sietse T; Woutersen, Sander; Bakker, Huib J

    2016-05-26

    Using femtosecond two-color infrared pump-probe spectroscopy, we study the vibrational relaxation of the O-H stretch vibrations of liquid H2O after excitation of the overtone transition. The overtone transition has its maximum at 6900 cm(-1) (1.45 μm), which is a relatively high frequency in view of the central frequency of 3400 cm(-1) of the fundamental transition. The excitation of the overtone leads to a transient induced absorption of two-exciton states of the O-H stretch vibrations. When the overtone excitation frequency is tuned from 6600 to 7200 cm(-1), the vibrational relaxation time constant of the two-exciton states increases from 400 ± 50 fs to 540 ± 40 fs. These values define a limited range of relatively long relaxation time constants compared to the range of relaxation time constants of 250-550 fs that we recently observed for the one-exciton O-H stretch vibrational state of liquid H2O ( S. T. van der Post et al., Nature Comm. 2015 , 6 , 8384 ). We explain the high central frequency and the limited range of relatively long relaxation time constants of the overtone transition from the destructive quantum interference of the mechanical and electrical anharmonic contributions to the overtone transition probability. As a result of this destructive interference, the overtone transition of liquid H2O is dominated by molecules of which the O-H groups donate relatively weak hydrogen bonds to other H2O molecules.

  5. Theory of quasi-elastic secondary emission from a quantum dot in the regime of vibrational resonance.

    Science.gov (United States)

    Rukhlenko, Ivan D; Fedorov, Anatoly V; Baymuratov, Anvar S; Premaratne, Malin

    2011-08-01

    We develop a low-temperature theory of quasi-elastic secondary emission from a semiconductor quantum dot, the electronic subsystem of which is resonant with the confined longitudinal-optical (LO) phonon modes. Our theory employs a generalized model for renormalization of the quantum dot's energy spectrum, which is induced by the polar electron-phonon interaction. The model takes into account the degeneration of electronic states and allows for several LO-phonon modes to be involved in the vibrational resonance. We give solutions to three fundamental problems of energy-spectrum renormalization--arising if one, two, or three LO-phonon modes resonantly couple a pair of electronic states--and discuss the most general problem of this kind that admits an analytical solution. With these results, we solve the generalized master equation for the reduced density matrix, in order to derive an expression for the differential cross section of secondary emission from a single quantum dot. The obtained expression is then analyzed to establish the basics of optical spectroscopy for measuring fundamental parameters of the quantum dot's polaron-like states.

  6. 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...

  7. The Shock and Vibration Digest, Volume 4, Number 6, June 1972.

    Science.gov (United States)

    1972-06-01

    incorporate all relevant attention is g i v e n to the transfer of thermal parameters in a unified prediction scheme which energy between constituents within...grating can be suitably adjusted to 11i U REAL TIME VIBRATION TESTS yield an optimum relation between line frequen- Ponzi , U.; Ferroni, R.; and Morelli, G...approximated by the implicit Houbolt back- OF REVOLUTION ward difference scheme with a constant time Khar’kova, N.V. interval. At every load step or time

  8. Study of molecular structure, anharmonic vibrational dynamic and electronic properties of sulindac using spectroscopic techniques integrated with quantum chemical calculations

    Science.gov (United States)

    Faizan, Mohd; Alam, Mohammad Jane; Ahmad, Shabbir

    2017-11-01

    In the present investigation, spectroscopic techniques (FTIR, FT-Raman and UV-Vis) and quantum chemical calculations are employed for exploring vibrational and electronic spectra of sulindac compound. The calculations are performed on most stable conformer of the sulindac molecule using density functional theory (DFT). Anharmonic corrections are made to frequencies using vibrational second-order perturbation theory (VPT2). The effect of intermolecular interactions on the vibrational dynamics has been analyzed using dimeric structure of sulindac molecule. Hirshfeld surface analysis and 2D fingerprint plots are utilized to investigate the nature of interaction present in the crystal system. To account for electronic spectra in different solvents, an integral equation formalism of polarizable continuum model (IEFPCM) at TD-DFT/B3LYP/6-31G(d,p) level of theory has been employed. An excellent agreement between the theoretical and experimental data over the entire spectral region is observed. In addition, natural bond orbital (NBO) analysis, frontier molecular orbitals, nonlinear optical properties (NLO) and molecular electrostatic potential (MEP) analysis are also reported.

  9. Quantum cryptography protocols robust against photon number splitting attacks for weak laser pulse implementations.

    Science.gov (United States)

    Scarani, Valerio; Acín, Antonio; Ribordy, Grégoire; Gisin, Nicolas

    2004-02-06

    We introduce a new class of quantum key distribution protocols, tailored to be robust against photon number splitting (PNS) attacks. We study one of these protocols, which differs from the original protocol by Bennett and Brassard (BB84) only in the classical sifting procedure. This protocol is provably better than BB84 against PNS attacks at zero error.

  10. Multi-bit quantum random number generation by measuring positions of arrival photons.

    Science.gov (United States)

    Yan, Qiurong; Zhao, Baosheng; Liao, Qinghong; Zhou, Nanrun

    2014-10-01

    We report upon the realization of a novel multi-bit optical quantum random number generator by continuously measuring the arrival positions of photon emitted from a LED using MCP-based WSA photon counting imaging detector. A spatial encoding method is proposed to extract multi-bits random number from the position coordinates of each detected photon. The randomness of bits sequence relies on the intrinsic randomness of the quantum physical processes of photonic emission and subsequent photoelectric conversion. A prototype has been built and the random bit generation rate could reach 8 Mbit/s, with random bit generation efficiency of 16 bits per detected photon. FPGA implementation of Huffman coding is proposed to reduce the bias of raw extracted random bits. The random numbers passed all tests for physical random number generator.

  11. Quantum state engineering, purification, and number-resolved photon detection with high-finesse optical cavities

    DEFF Research Database (Denmark)

    Nielsen, Anne E. B.; Muschik, Christine A.; Giedke, Geza

    2010-01-01

    We propose and analyze a multifunctional setup consisting of high-finesse optical cavities, beam splitters, and phase shifters. The basic scheme projects arbitrary photonic two-mode input states onto the subspace spanned by the product of Fock states |n>|n> with n=0,1,2,.... This protocol does...... not only provide the possibility to conditionally generate highly entangled photon number states as resource for quantum information protocols but also allows one to test and hence purify this type of quantum states in a communication scenario, which is of great practical importance. The scheme...

  12. Layer-number dependent high-frequency vibration modes in few-layer transition metal dichalcogenides induced by interlayer couplings

    Science.gov (United States)

    Tan, Qing-Hai; Zhang, Xin; Luo, Xiang-Dong; Zhang, Jun; Tan, Ping-Heng

    2017-03-01

    Two-dimensional transition metal dichalcogenides (TMDs) have attracted extensive attention due to their many novel properties. The atoms within each layer in two-dimensional TMDs are joined together by covalent bonds, while van der Waals interactions combine the layers together. This makes its lattice dynamics layer-number dependent. The evolutions of ultralow frequency ( 50 cm-1) vibration modes in few-layer TMDs and demonstrate how the interlayer coupling leads to the splitting of high-frequency vibration modes, known as Davydov splitting. Such Davydov splitting can be well described by a van der Waals model, which directly links the splitting with the interlayer coupling. Our review expands the understanding on the effect of interlayer coupling on the high-frequency vibration modes in TMDs and other two-dimensional materials. Project supported by the National Basic Research Program of China (No. 2016YFA0301200), the National Natural Science Foundation of China (Nos. 11225421, 11474277, 11434010, 61474067, 11604326, 11574305 and 51527901), and the National Young 1000 Talent Plan of China.

  13. Catalytic synthesis of ammonia using vibrationally excited nitrogen molecules

    DEFF Research Database (Denmark)

    Hansen, Flemming Yssing; Henriksen, Niels Engholm; Billing, Gert D.

    1992-01-01

    are vibrationally excited to states with quantum numbers 3-10. The rate and equilibrium constants for the process using vibrationally excited nitrogen molecules are calculated and expressions for the reaction rates are derived. A comparison with the ordinary process, where the nitrogen molecules...

  14. Quantum chemistry-based analysis of the vibrational spectra of five-coordinate metalloporphyrins [M(TPP)Cl].

    Science.gov (United States)

    Paulat, Florian; Praneeth, V K K; Näther, Christian; Lehnert, Nicolai

    2006-04-03

    Vibrational properties of the five-coordinate porphyrin complexes [M(TPP)(Cl)] (M = Fe, Mn, Co) are analyzed in detail. For [Fe(TPP)(Cl)] (1), a complete vibrational data set is obtained, including nonresonance (NR) Raman, and resonance Raman (RR) spectra at multiple excitation wavelengths as well as IR spectra. These data are completely assigned using density functional (DFT) calculations and polarization measurements. Compared to earlier works, a number of bands are reassigned in this one. These include the important, structure-sensitive band at 390 cm(-1), which is reassigned here to the totally symmetric nu(breathing)(Fe-N) vibration for complex 1. This is in agreement with the assignments for [Ni(TPP)]. In general, the assignments are on the basis of an idealized [M(TPP)]+ core with D(4h) symmetry. In this Work, small deviations from D(4h) are observed in the vibrational spectra and analyzed in detail. On the basis of the assignments of the vibrational spectra of 1, [Mn(TPP)(Cl)] (2), and diamagnetic [Co(TPP)(Cl)] (3), eight metal-sensitive bands are identified. Two of them correspond to the nu(M-N) stretching modes with B(1g) and Eu symmetries and are assigned here for the first time. The shifts of the metal sensitive modes are interpreted on the basis of differences in the porphyrin C-C, C-N, and M-N distances. Besides the porphyrin core vibrations, the M-Cl stretching modes also show strong metal sensitivity. The strength of the M-Cl bond in 1-3 is further investigated. From normal coordinate analysis (NCA), force constants of 1.796 (Fe), 0.932 (Mn), and 1.717 (Co) mdyn/A are obtained for 1-3, respectively. The weakness of the Mn-Cl bond is attributed to the fact that it only corresponds to half a sigma bond. Finally, RR spectroscopy is used to gain detailed insight into the nature of the electronically excited states. This relates to the mechanism of resonance enhancement and the actual nature of the enhanced vibrations. It is of importance that anomalous

  15. Synthesis, crystal structure, vibrational spectra and theoretical calculations of quantum chemistry of a potential antimicrobial Meldrum's acid derivative

    Science.gov (United States)

    Campelo, M. J. M.; Freire, P. T. C.; Mendes Filho, J.; de Toledo, T. A.; Teixeira, A. M. R.; da Silva, L. E.; Bento, R. R. F.; Faria, J. L. B.; Pizani, P. S.; Gusmão, G. O. M.; Coutinho, H. D. M.; Oliveira, M. T. A.

    2017-10-01

    A new derivative of Meldrum's acid 5-((5-chloropyridin-2-ylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CYMM) of molecular formula C12H11ClN2O4 was synthesized and structurally characterized using single crystal X-ray diffraction technique. The vibrational properties of the crystal were studied by Fourier Transform infrared (FT-IR), Fourier Transform Raman (FT-Raman) techniques and theoretical calculations of quantum chemistry using Density functional theory (DFT) and Density functional perturbation theory (DFPT). A comparison with experimental spectra allowed the assignment of all the normal modes. The descriptions of the normal modes were carried by means of potential energy distribution (PED). Additionally, analysis of the antimicrobial activity and antibiotic resistance modulatory activity was carried out to evaluate the antibacterial potential of the CYMM.

  16. Quenching vibrations by collisions in cold traps: A quantum study for ...

    Indian Academy of Sciences (India)

    cold traps, interacting with 4He(1S) as a buffer gas at relative temperatures down to millikelvins, is discussed using an ab initio computed potential energy surface. The relative efficiency of collisional cooling with respect to collisional quenching of the internal vibrations is examined from the results of the relative sizes of the.

  17. Quantum chemical density functional theory studies on the molecular structure and vibrational spectra of mannitol

    Science.gov (United States)

    Moorthi, P. P.; Gunasekaran, S.; Swaminathan, S.; Ramkumaar, G. R.

    2015-02-01

    A collective experimental and theoretical study was conducted on the molecular structure and vibrational spectra of mannitol. The FT-IR and FT-Raman spectra of mannitol were recorded in the solid phase. The molecular geometry, vibrational frequencies, thermodynamic functions and atomic charges of mannitol in the ground state have been calculated by using the ab initio HF (Hartree-Fock) and density functional methods (B3LYP) invoking cc-pVDZ basis set. The complete vibrational assignments were performed on the basis of Total Energy Distribution (TED) of the vibrational modes. The UV absorption spectra of the title compound dissolved in water. Natural bond orbital analysis has been carried out to explain the charge transfer or delocalization of charge due to the intra-molecular interactions. The 1H and 13C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by GIAO methods. The first order hyperpolarizability (β0) of this novel molecular system and related properties (β, α0 and Δα) of mannitol are calculated using B3LYP/cc-pVDZ and HF/cc-pVDZ methods on the finite-field approach. By using TD-DFT calculation, electronic absorption spectra of the title compound have been predicted and a good agreement with experimental one is established. In addition, the molecular electrostatic potential (MEP) have been investigated using theoretical calculations, the calculated HOMO and LUMO energies shows that the charge transfer within the molecule.

  18. Quantum Yield Determination Based on Photon Number Measurement, Protocols for Firefly Bioluminescence Reactions.

    Science.gov (United States)

    Niwa, Kazuki

    2016-01-01

    Quantum yield (QY), which is defined as the probability of photon production by a single bio/chemiluminescence reaction, is an important factor to characterize luminescence light intensity emitted diffusively from the reaction solution mixture. Here, methods to measure number of photons to determine QY according to the techniques of national radiometry standards are described. As an example, experiments using firefly bioluminescence reactions are introduced.

  19. Reduction of torsional vibrations of hybrid drives when using a low number of cylinders; Drehschwingungsberuhigung von Hybridantrieben mit niedrigen Zylinderzahlen

    Energy Technology Data Exchange (ETDEWEB)

    Hohenberg, Guenter [IVD Prof. Hohenberg GmbH, Graz (Austria); Beidl, Christian [Technische Univ. Darmstadt (Germany). VKM; Hoefler, Dieter [tectos gmbh, Graz (Austria)

    2013-08-01

    Plug-in hybrid drives will be, in the foreseeable future, the dominant variant for the electrification of vehicles, with the trend clearly pointing to combustion engines with a low number of cylinders and low engine operating speeds. However, the considerable torsional vibration and its impact on the drive train as well as the engine mount pose a problem. The conventional mechanical solutions with dual mass flywheels and pendulum support etc. have clearly reached their limit when it comes to improving the noise vibration harshness (NVH) behavior. Operating the drive engine with low speed values which are relevant for the fuel consumption is therefore only possible to a limited extent. This paper introduces a technique as a solution to the problem, where the excitation frequency can be doubled with the existing E-motor by generating additional torque pulses. This will achieve the excitation of the drive train and the engine mount as would be the case with a combustion engine with twice the number of cylinders. This technique, referred to as directE strategy, is particularly interesting for 2 und 3-cylinder engines. By combining the individual components into a highly integrated directE hybrid module a simple combination of existing combustion engines and gearboxes can be implemented. This paper describes the technique in more detail, which is followed by a discussion of its advantages, disadvantages and the first practical results. (orig.)

  20. Efficient quantum calculations of vibrational states of vinylidene in full dimensionality: A scheme with combination of methods

    Science.gov (United States)

    Li, Bin; Bian, Wensheng

    2008-07-01

    Full-dimensional quantum calculations of vibrational states of C2H2 and C2D2 are performed in the high-energy region (above 20400cm-1 relative to the acetylene minimum). The theoretical scheme is a combination of several methods. To exploit the full parity and permutation symmetry, the CC-HH diatom-diatom Jacobi coordinates are chosen; phase space optimization in combination with physical considerations is used to obtain an efficient radial discrete variable representation, whereas a basis contraction scheme is applied for angular coordinates. The preconditioned inexact spectral transform method combined with an efficient preconditioner is employed to compute eigenstates within a desired spectral window. The computation is efficient. More definite assignments on vinylidene states than previous studies are acquired using the normal mode projection; in particular, a consistent analysis of the ν1 (symmetric CH stretch) state is provided. The computed vinylidene vibrational energy levels are in general good agreement with experiment, and several vinylidene states are reported for the first time.

  1. Quantum non-demolition measurement of photon number with atom-light interferometers.

    Science.gov (United States)

    Chen, S Y; Chen, L Q; Ou, Z Y; Hang, Weipingz

    2017-12-11

    When atoms are illuminated by an off-resonant field, the AC Stark effect will lead to phase shifts in atomic states. The phase shifts are proportional to the photon number of the off-resonant illuminating field. By measuring the atomic phase with newly developed atom-light hybrid interferometers, we can achieve quantum non-demolition measurement of the photon number of the optical field. In this paper, we analyze theoretically the performance of this QND measurement scheme by using the QND measurement criteria established by Holland et al [Phys. Rev. A 42, 2995 (1990)]. We find the quality of the QND measurement depends on the phase resolution of the atom-light hybrid interferometers. We apply this QND measurement scheme to a twin-photon state from parametric amplifier to verify the photon correlation in the twin beams. Furthermore, a sequential QND measurement procedure is analyzed for verifying the projection property of quantum measurement and for the quantum information tapping. Finally, we discuss the possibility for single-photon-number-resolving detection via QND measurement.

  2. Effect of the number of stacking layers on the characteristics of quantum-dash lasers

    KAUST Repository

    Khan, Mohammed Zahed Mustafa

    2011-06-27

    A theoretical model is evaluated to investigate the characteristics of InAs/InP quantum dash (Qdash) lasers as a function of the stack number. The model is based on multimode carrier-photon rate equations and accounts for both inhomogeneous and homogeneous broadenings of the optical gain. The numerical results show a non monotonic increase in the threshold current density and a red shift in the lasing wavelength on increasing the stack number, which agrees well with reported experimental results. This observation may partly be attributed to an increase of inhomogeneity in the active region.

  3. Quantum chemical studies on structural, vibrational, nonlinear optical properties and chemical reactivity of indigo carmine dye

    Science.gov (United States)

    El-Mansy, M. A. M.

    2017-08-01

    Structural and vibrational spectroscopic studies were performed on indigo carmine (IC) isomers using FT-IR spectral analysis along with DFT/B3LYP method utilizing Gaussian 09 software. GaussView 5 program has been employed to perform a detailed interpretation of vibrational spectra. Simulation of infrared spectra has led to an excellent overall agreement with the observed spectral patterns. Mulliken population analyses on atomic charges, MEP, HOMO-LUMO, NLO, first order hyperpolarizability and thermodynamic properties have been examined by (DFT/B3LYP) method with the SDD basis set level. Density of state spectra (DOS) were calculated using GaussSum 3 at the same level of theory. Molecular modeling approved that DOS Spectra are the most significant tools for differentiating between two IC isomers so far. Moreover, The IC isomers (cis-isomer) have shown an extended applicability for manufacturing both NLO and photovoltaic devices such as solar cells.

  4. Quantum chemical density functional theory studies on the molecular structure and vibrational spectra of mannitol.

    Science.gov (United States)

    Moorthi, P P; Gunasekaran, S; Swaminathan, S; Ramkumaar, G R

    2015-02-25

    A collective experimental and theoretical study was conducted on the molecular structure and vibrational spectra of mannitol. The FT-IR and FT-Raman spectra of mannitol were recorded in the solid phase. The molecular geometry, vibrational frequencies, thermodynamic functions and atomic charges of mannitol in the ground state have been calculated by using the ab initio HF (Hartree-Fock) and density functional methods (B3LYP) invoking cc-pVDZ basis set. The complete vibrational assignments were performed on the basis of Total Energy Distribution (TED) of the vibrational modes. The UV absorption spectra of the title compound dissolved in water. Natural bond orbital analysis has been carried out to explain the charge transfer or delocalization of charge due to the intra-molecular interactions. The (1)H and (13)C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by GIAO methods. The first order hyperpolarizability (β0) of this novel molecular system and related properties (β, α0 and Δα) of mannitol are calculated using B3LYP/cc-pVDZ and HF/cc-pVDZ methods on the finite-field approach. By using TD-DFT calculation, electronic absorption spectra of the title compound have been predicted and a good agreement with experimental one is established. In addition, the molecular electrostatic potential (MEP) have been investigated using theoretical calculations, the calculated HOMO and LUMO energies shows that the charge transfer within the molecule. Copyright © 2014 Elsevier B.V. All rights reserved.

  5. Determination of increased mean drag coefficients for a cylinder vibrating at low values of Keulegan-Carpenter number

    Directory of Open Access Journals (Sweden)

    Carlos Alberto Riveros

    2014-06-01

    Full Text Available There is an increasing demand for the development of a reliable technology for wind turbines in deepwaters.Therefore, offshore wind turbine technology is receiving great amount of attention by the research community. Nevertheless, the dynamic response prediction of the support system for offshore wind turbines is still challenging due to the nonlinear and self-regulated nature of the Vortex Induced Vibration (VIV process. In this paper, the numerical implementation of a computational fluid dynamics-based approach for determination of increased mean drag coefficient is presented. The numerical study is conducted at low values of Keulegan-Carpenter number in order to predict the increment of drag force due to cross-flow motion. The simulation results are then compared with previously developed empirical formulations. Good agreement is observed in these comparisons.

  6. Effective representation of amide III, II, I, and A modes on local vibrational modes: Analysis of ab initio quantum calculation results.

    Science.gov (United States)

    Hahn, Seungsoo

    2016-10-28

    The Hamiltonian matrix for the first excited vibrational states of a protein can be effectively represented by local vibrational modes constituting amide III, II, I, and A modes to simulate various vibrational spectra. Methods for obtaining the Hamiltonian matrix from ab initio quantum calculation results are discussed, where the methods consist of three steps: selection of local vibrational mode coordinates, calculation of a reduced Hessian matrix, and extraction of the Hamiltonian matrix from the Hessian matrix. We introduce several methods for each step. The methods were assessed based on the density functional theory calculation results of 24 oligopeptides with four different peptide lengths and six different secondary structures. The completeness of a Hamiltonian matrix represented in the reduced local mode space is improved by adopting a specific atom group for each amide mode and reducing the effect of ignored local modes. The calculation results are also compared to previous models using C=O stretching vibration and transition dipole couplings. We found that local electric transition dipole moments of the amide modes are mainly bound on the local peptide planes. Their direction and magnitude are well conserved except amide A modes, which show large variation. Contrary to amide I modes, the vibrational coupling constants of amide III, II, and A modes obtained by analysis of a dipeptide are not transferable to oligopeptides with the same secondary conformation because coupling constants are affected by the surrounding atomic environment.

  7. Vibrational spectroscopic, molecular docking and quantum chemical studies on 6-aminonicotinamide

    Science.gov (United States)

    Mohamed Asath, R.; Premkumar, S.; Mathavan, T.; Milton Franklin Benial, A.

    2017-04-01

    The most stable molecular structure of 6-aminonicotinamide (ANA) molecule was predicted by conformational analysis and vibrational spectral analysis was carried out by experimental and theoretical methods. The calculated and experimentally observed vibrational frequencies were assigned and compared. The π→π* electronic transition of the molecule was predicted by theoretically calculated ultraviolet-visible spectra in gas and liquid phase and further validated experimentally using ethanol as a solvent. Frontier molecular orbitals analysis was carried out to probe the reactive nature of the ANA molecule and further the site selectivity to specific chemical reactions were effectively analyzed by Fukui function calculation. The molecular electrostatic potential surface was simulated to confirm the reactive sites of the molecule. The natural bond orbital analysis was also performed to understand the intra molecular interactions, which confirms the bioactivity of the ANA molecule. Neuroprotective nature of the ANA molecule was analyzed by molecular docking analysis and the ANA molecule was identified as a good inhibitor against Alzheimer's disease.

  8. High quantum-efficiency photon-number-resolving detector for photonic on-chip information processing.

    Science.gov (United States)

    Calkins, Brice; Mennea, Paolo L; Lita, Adriana E; Metcalf, Benjamin J; Kolthammer, W Steven; Lamas-Linares, Antia; Spring, Justin B; Humphreys, Peter C; Mirin, Richard P; Gates, James C; Smith, Peter G R; Walmsley, Ian A; Gerrits, Thomas; Nam, Sae Woo

    2013-09-23

    The integrated optical circuit is a promising architecture for the realization of complex quantum optical states and information networks. One element that is required for many of these applications is a high-efficiency photon detector capable of photon-number discrimination. We present an integrated photonic system in the telecom band at 1550 nm based on UV-written silica-on-silicon waveguides and modified transition-edge sensors capable of number resolution and over 40 % efficiency. Exploiting the mode transmission failure of these devices, we multiplex three detectors in series to demonstrate a combined 79 % ± 2 % detection efficiency with a single pass, and 88 % ± 3 % at the operating wavelength of an on-chip terminal reflection grating. Furthermore, our optical measurements clearly demonstrate no significant unexplained loss in this system due to scattering or reflections. This waveguide and detector design therefore allows the placement of number-resolving single-photon detectors of predictable efficiency at arbitrary locations within a photonic circuit - a capability that offers great potential for many quantum optical applications.

  9. Detection of beamsplitting attack in a quantum cryptographic channel based on photon number statistics monitoring

    Science.gov (United States)

    Gaidash, A. A.; Egorov, V. I.; Gleim, A. V.

    2014-10-01

    Quantum cryptography in theory allows distributing secure keys between two users so that any performed eavesdropping attempt would be immediately discovered. However, in practice an eavesdropper can obtain key information from multi-photon states when attenuated laser radiation is used as a source. In order to overcome this possibility, it is generally suggested to implement special cryptographic protocols, like decoy states or SARG04. We present an alternative method based on monitoring photon number statistics after detection. This method can therefore be used with any existing protocol.

  10. Mixed quantum/classical theory of rotationally and vibrationally inelastic scattering in space-fixed and body-fixed reference frames.

    Science.gov (United States)

    Semenov, Alexander; Babikov, Dmitri

    2013-11-07

    We formulated the mixed quantum/classical theory for rotationally and vibrationally inelastic scattering process in the diatomic molecule + atom system. Two versions of theory are presented, first in the space-fixed and second in the body-fixed reference frame. First version is easy to derive and the resultant equations of motion are transparent, but the state-to-state transition matrix is complex-valued and dense. Such calculations may be computationally demanding for heavier molecules and/or higher temperatures, when the number of accessible channels becomes large. In contrast, the second version of theory requires some tedious derivations and the final equations of motion are rather complicated (not particularly intuitive). However, the state-to-state transitions are driven by real-valued sparse matrixes of much smaller size. Thus, this formulation is the method of choice from the computational point of view, while the space-fixed formulation can serve as a test of the body-fixed equations of motion, and the code. Rigorous numerical tests were carried out for a model system to ensure that all equations, matrixes, and computer codes in both formulations are correct.

  11. Single crystal XRD, vibrational and quantum chemical calculation of pharmaceutical drug paracetamol: A new synthesis form.

    Science.gov (United States)

    Anitha, R; Gunasekaran, M; Kumar, S Suresh; Athimoolam, S; Sridhar, B

    2015-01-01

    The common house hold pharmaceutical drug, paracetamol (PAR), has been synthesized from 4-chloroaniline as a first ever report. After the synthesis, good quality single crystals were obtained for slow evaporation technique under the room temperature. The crystal and molecular structures were re-determined by the single crystal X-ray diffraction. The vibrational spectral measurements were carried out using FT-IR and FT-Raman spectroscopy in the range of 4000-400 cm(-1). The single crystal X-ray studies shows that the drug crystallized in the monoclinic system polymorph (Form-I). The crystal packing is dominated by N-H⋯O and O-H⋯O classical hydrogen bonds. The ac diagonal of the unit cell features two chain C(7) and C(9) motifs running in the opposite directions. These two chain motifs are cross-linked to each other to form a ring R4(4)(22) motif and a chain C2(2)(6) motif which is running along the a-axis of the unit cell. Along with the classical hydrogen bonds, the methyl group forms a weak C-H⋯O interactions in the crystal packing. It offers the support for molecular assembly especially in the hydrophilic regions. Further, the strength of the hydrogen bonds are studied the shifting of vibrational bands. Geometrical optimizations of the drug molecule were done by the Density Functional Theory (DFT) using the B3LYP function and Hartree-Fock (HF) level with 6-311++G(d,p) basis set. The optimized molecular geometry and computed vibrational spectra are compared with experimental results which show significant agreement. The factor group analysis of the molecule was carried out by the various molecular symmetry, site and factor group species using the standard correlation method. The Natural Bond Orbital (NBO) analysis was carried out to interpret hyperconjugative interaction and intramolecular charge transfer (ICT). The chemical softness, chemical hardness, electro-negativity, chemical potential and electrophilicity index of the molecule were found out first

  12. Spectroscopic (vibrational, NMR and UV-vis.) and quantum chemical investigations on 4-hexyloxy-3-methoxybenzaldehyde.

    Science.gov (United States)

    Abbas, Ashgar; Gökce, Halil; Bahçeli, Semiha

    2016-01-05

    In this study, the 4-hexyloxy-3-methoxybenzaldehyde compound as one of the derivatives of vanillin which is a well known flavoring agent, C14H20O3, has been investigated by experimentally and extensively utilizing density functional theory (DFT) at the B3LYP/6-311++G(d,p) level. In this context, the optimized geometry, vibrational frequencies, (1)H and (13)C NMR chemical shifts, UV-vis. (in gas phase and in methanol solvent) spectra, HOMO-LUMO analysis, molecular electrostatic potential (MEP), thermodynamic parameters and atomic charges of 4-hexyloxy-3-methoxybenzaldehyde have been calculated. In addition, theoretically predicted IR, Raman and UV-vis. (in gas phase and in methanol solvent) spectra of the mentioned molecule have been constructed. The results calculated were compared with the experimental data. Copyright © 2015 Elsevier B.V. All rights reserved.

  13. Vibrational and Quantum Chemical Study of Triphenylantimony(V-o-salicylate

    Directory of Open Access Journals (Sweden)

    Tanveer Hasan

    2008-01-01

    Full Text Available A complete normal coordinate analysis was performed by two different methods: a classical Wilson G-F matrix method and the semi-empirical molecular orbital PM3 method, for a five coordinate non rigid triphenyl antimony diester SbPh3(O2CR2,[R=C6H4OH-o], known to be a bioactive molecule. The study of vibrational spectra suggested that the title compound might have secondary bonding interaction between the central antimony atom and the carbonyl oxygen atoms. The atomic charge distribution, geometry optimization and thermochemistry, were also calculated by PM3 method, which help in finding the potential sites of the title compound.

  14. A quantum model for bending vibrations and thermodynamic properties of C3.

    Science.gov (United States)

    Hansen, C. F.; Pearson, W. E.

    1973-01-01

    The investigation reported was conducted to clarify the thermodynamic properties of C3 by further developing the limit to the partition function suggested by Strauss and Thiele (1967). A quantum solution for the energy levels of a quadratically perturbed square well potential is presented and the consistency of this limit with observed energy levels is established. In the process a more complete physical picture of the bending C3 molecules emerges. The values of entropy deduced from various measurements of graphite pressure are compared with this limit, and the thermodynamic properties predicted for the limiting case are evaluated.

  15. The Generalized Coherent State ansatz: Application to quantum electron-vibrational dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Borrelli, Raffaele, E-mail: raffaele.borrelli@unito.it [DISAFA, Università di Torino, I-10095 Grugliasco (Italy); Gelin, Maxim F. [Departement of Chemistry, Technische Universität München, D-85747 Garching (Germany)

    2016-12-20

    A new ansatz for molecular vibronic wave functions based on a superposition of time-dependent Generalized Coherent States is developed and analysed. The methodology is specifically tailored to describe the time evolution of the wave function of a system in which several interacting electronic states are coupled to a bath of harmonic oscillators. The equations of motion for the wave packet parameters are obtained by using the Dirac–Frenkel time-dependent variational principle. The methodology is used to describe the quantum dynamical behavior of a model polaron system and its scaling and convergence properties are discussed and compared with numerically exact results.

  16. More on the narrowing of impact broadened radio recombination lines at high principal quantum number

    Science.gov (United States)

    Bell, M. B.

    2012-07-01

    Recently Alexander and Gulyaev have suggested that the apparent decrease in impact broadening of radio recombination lines seen at high principal quantum number n may be a product of the data reduction process, possibly resulting from the presence of noise on the telescope spectra that is not present on the calculated comparison spectra. This is an interesting proposal. However, there are serious problems with their analysis that need to be pointed out. Perhaps the most important of these is the fact that for principal quantum numbers below n=200, where the widths are not in question, their processed generated profile widths do not fit the widths of the processed lines obtained at the telescope. After processing, the halfwidths of the generated and telescope profiles must agree below n=200 if we are to believe that the processed generated linewidths above n=200 are meaningful. Theirs do not. Furthermore, we find that after applying the linewidth reduction factors found by Alexander and Gulyaev for their noise added profiles to our generated profiles to simulate their noise adding effect, the processed widths we obtain still do not come close to explaining the narrowing seen in the telescope lines for n values in the range 200technique instead of simply a further manipulation of the frequency-switched data.

  17. Solving Quantum Number Problems: An Examination of Novice Performance in Terms of Conceptual Base Requirements

    Science.gov (United States)

    Ardac, Dilek

    2002-04-01

    Novices possess a highly fragmented and incoherent knowledge base with several inconsistencies and gaps that seriously limit problem-solving performance. The problem-solving process carried out by 55 freshman students in a general chemistry course as they attempted to solve low- and high-demand problems on quantum numbers was scrutinized, revealing that the students filled in the gaps in their knowledge base with a number of self-generated rules that were analogous to some basic principles, but also showed notable logical and conceptual discrepancies. These self-generated rules guided students' decisions during problem solving and gave meaning to material that was highly symbolic. However, once these students were given the opportunity to reflect on their problem solving through a tutorial session, they were quick to recognize the inconsistencies. The reformulation of the erroneously established rules was expeditious, as evidenced by the significant (p < .001) improvements in performance after the tutorials.

  18. Quantum mechanical potentials related to the prime numbers and Riemann zeros.

    Science.gov (United States)

    Schumayer, Dániel; van Zyl, Brandon P; Hutchinson, David A W

    2008-11-01

    Prime numbers are the building blocks of our arithmetic; however, their distribution still poses fundamental questions. Riemann showed that the distribution of primes could be given explicitly if one knew the distribution of the nontrivial zeros of the Riemann zeta(s) function. According to the Hilbert-Pólya conjecture, there exists a Hermitian operator of which the eigenvalues coincide with the real parts of the nontrivial zeros of zeta(s) . This idea has encouraged physicists to examine the properties of such possible operators, and they have found interesting connections between the distribution of zeros and the distribution of energy eigenvalues of quantum systems. We apply the Marchenko approach to construct potentials with energy eigenvalues equal to the prime numbers and to the zeros of the zeta(s) function. We demonstrate the multifractal nature of these potentials by measuring the Rényi dimension of their graphs. Our results offer hope for further analytical progress.

  19. Quantum random number generation enhanced by weak-coherent states interference.

    Science.gov (United States)

    Ferreira da Silva, T; Xavier, G B; Amaral, G C; Temporão, G P; von der Weid, J P

    2016-08-22

    We propose and demonstrate a technique for quantum random number generation based on the random population of the output spatial modes of a beam splitter when both inputs are simultaneously fed with indistinguishable weak coherent states. We simulate and experimentally validate the probability of generation of random bits as a function of the average photon number per input, and compare it to the traditional approach of a single weak coherent state transmitted through a beam-splitter, showing an improvement of up to 32%. The ensuing interference phenomenon reduces the probability of coincident counts between the detectors associated with bits 0 and 1, thus increasing the probability of occurrence of a valid output. A long bit string is assessed by a standard randomness test suite with good confidence. Our proposal can be easily implemented and opens attractive performance gains without a significant trade-off.

  20. Note: Fully integrated 3.2 Gbps quantum random number generator with real-time extraction

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Xiao-Guang; Nie, You-Qi; Liang, Hao; Zhang, Jun, E-mail: zhangjun@ustc.edu.cn; Pan, Jian-Wei [Hefei National Laboratory for Physical Sciences at the Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); CAS Center for Excellence and Synergetic Innovation Center in Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Zhou, Hongyi; Ma, Xiongfeng [Center for Quantum Information, Institute for Interdisciplinary Information Sciences, Tsinghua University, Beijing 100084 (China)

    2016-07-15

    We present a real-time and fully integrated quantum random number generator (QRNG) by measuring laser phase fluctuations. The QRNG scheme based on laser phase fluctuations is featured for its capability of generating ultra-high-speed random numbers. However, the speed bottleneck of a practical QRNG lies on the limited speed of randomness extraction. To close the gap between the fast randomness generation and the slow post-processing, we propose a pipeline extraction algorithm based on Toeplitz matrix hashing and implement it in a high-speed field-programmable gate array. Further, all the QRNG components are integrated into a module, including a compact and actively stabilized interferometer, high-speed data acquisition, and real-time data post-processing and transmission. The final generation rate of the QRNG module with real-time extraction can reach 3.2 Gbps.

  1. High-speed quantum-random number generation by continuous measurement of arrival time of photons.

    Science.gov (United States)

    Yan, Qiurong; Zhao, Baosheng; Hua, Zhang; Liao, Qinghong; Yang, Hao

    2015-07-01

    We demonstrate a novel high speed and multi-bit optical quantum random number generator by continuously measuring arrival time of photons with a common starting point. To obtain the unbiased and post-processing free random bits, the measured photon arrival time is converted into the sum of integral multiple of a fixed period and a phase time. Theoretical and experimental results show that the phase time is an independent and uniform random variable. A random bit extraction method by encoding the phase time is proposed. An experimental setup has been built and the unbiased random bit generation rate could reach 128 Mb/s, with random bit generation efficiency of 8 bits per detected photon. The random numbers passed all tests in the statistical test suite.

  2. Electron in the field of flexural vibrations of a membrane: Quantum time, magnetic oscillations, and coherence breaking

    Energy Technology Data Exchange (ETDEWEB)

    Gornyi, I. V. [Karlsruhe Institute of Technology, Institut für Nanotechnologie (Germany); Dmitriev, A. P., E-mail: apd1812@hotmail.com [Russian Academy of Sciences, Ioffe Physicotechnical Institute (Russian Federation); Mirlin, A. D.; Protopopov, I. V. [Karlsruhe Institute of Technology, Institut für Nanotechnologie (Germany)

    2016-08-15

    We have studied the motion of an electron in a membrane under the influence of flexural vibrations with a correlator that decreases upon an increase in the distance in accordance with the law r–{sup 2η}. We have conducted a detailed consideration of the case with η < 1/2, in which the perturbation theory is inapplicable, even for an arbitrarily weak interaction. It is shown that, in this case, reciprocal quantum time 1/τ{sub q} is proportional to g{sup 1/(1–η)}T{sup (2–η)/(2–2η)}, where g is the electron–phonon interaction constant and T is the temperature. The method developed here is applied for calculating the electron density of states in a magnetic field perpendicular to the membrane. In particular, it is shown that the Landau levels in the regime with ω{sub c}τ{sub q} » 1 have a Gaussian shape with a width that depends on the magnetic field as B{sup η}. In addition, we calculate the time τ{sub φ} of dephasing of the electron wave function that emerges due to the interaction with flexural phonons for η < 1/2. It has been shown that, in several temperature intervals, quantity 1/τ{sub φ} can be expressed by various power functions of the electron–phonon interaction constant, temperature, and electron energy.

  3. Quantum chemical density functional theory studies on the molecular structure and vibrational spectra of Gallic acid imprinted polymers

    Science.gov (United States)

    Pardeshi, Sushma; Dhodapkar, Rita; Kumar, Anupama

    2013-12-01

    Gallic acid (GA) is known by its antioxidant, anticarcinogenic properties and scavenger activity against several types of harmful free radicals. Molecularly imprinted polymers (MIPs) are used in separation of a pure compound from complex matrices. A stable template-monomer complex generates the MIPs with the highest affinity and selectivity for the template. The quantum chemical computations based on density functional theory (DFT) was used on the template Gallic acid (GA), monomer acrylic acid (AA) and GA-AA complex to study the nature of interactions involved in the GA-AA complex. B3LYP/6-31+G(2d,2p) model chemistry was used to optimize their structures and frequency calculations. The effect of porogen acetonitrile (ACN) on complex formation was included by using polarizable continuum model (PCM). The results demonstrated the formation of a stable GA-AA complex through the intermolecular hydrogen bonding between carboxylic acid groups of GA and AA. The Mulliken atomic charge analysis and simulated vibrational spectra also supported the stable hydrogen bonding interaction between the carboxylic acid groups of GA and AA with minimal interference of porogen ACN. Further, simulations on GA-AA mole ratio revealed that 1:4 GA-AA was optimum for synthesis of MIP for GA.

  4. Contribution from the interaction Hamiltonian to the expectation value of particle number with the non-equilibrium quantum field theory

    Energy Technology Data Exchange (ETDEWEB)

    Hotta, Ryuuichi; Morozumi, Takuya; Takata, Hiroyuki [Graduate School of Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan); Tomsk state Pedagogical University Tomsk 634041 (Russian Federation)

    2012-07-27

    We develop the method analyzing particle number non-conserving phenomena with non-equilibrium quantum field-theory. In this study, we consider a CP violating model with interaction Hamiltonian that breaks particle number conservation. To derive the quantum Boltzmann equation for the particle number, we solve Schwinger-Dyson equation, which are obtained from two particle irreducible closed-time-path (2PI CTP) effective action. In this calculation, we show the contribution from interaction Hamiltonian to the time evolution of expectation value of particle number.

  5. Experimental study of the vortex-induced vibration of drilling risers under the shear flow with the same shear parameter at the different Reynolds numbers.

    Directory of Open Access Journals (Sweden)

    Mao Liangjie

    Full Text Available A considerable number of studies for VIV under the uniform flow have been performed. However, research on VIV under shear flow is scarce. An experiment for VIV under the shear flow with the same shear parameter at the two different Reynolds numbers was conducted in a deep-water offshore basin. Various measurements were obtained by the fiber bragg grating strain sensors. Experimental data were analyzed by modal analysis method. Results show several valuable features. First, the corresponding maximum order mode of the natural frequency for shedding frequency is the maximum dominant vibration mode and multi-modal phenomenon is appeared in VIV under the shear flow, and multi-modal phenomenon is more apparent at the same shear parameter with an increasing Reynolds number under the shear flow effect. Secondly, the riser vibrates at the natural frequency and the dominant vibration frequency increases for the effect of the real-time tension amplitude under the shear flow and the IL vibration frequency is the similar with the CF vibration frequency at the Reynolds number of 1105 in our experimental condition and the IL dominant frequency is twice the CF dominant frequency with an increasing Reynolds number. In addition, the displacement trajectories at the different locations of the riser appear the same shape and the shape is changed at the same shear parameter with an increasing Reynolds number under the shear flow. The diagonal displacement trajectories are observed at the low Reynolds number and the crescent-shaped displacement trajectories appear with an increasing Reynolds number under shear flow in the experiment.

  6. Generating continuous variable entangled states for quantum teleportation using a superposition of number-conserving operations

    Science.gov (United States)

    Shekhar Dhar, Himadri; Chatterjee, Arpita; Ghosh, Rupamanjari

    2015-09-01

    We investigate the states generated in continuous variable (CV) optical fields by operating them with a number-conserving operator of the type s\\hat{a}{\\hat{a}}\\dagger +t{\\hat{a}}\\dagger \\hat{a}, formed by the generalized superposition of products of field annihilation (\\hat{a}) and creation ({\\hat{a}}\\dagger ) operators, with {s}2+{t}2=1. Such an operator is experimentally realizable and can be suitably manipulated to generate nonclassical optical states when applied on single- and two-mode coherent, thermal and squeezed input states. At low intensities, these nonclassical states can interact with a secondary mode via a linear optical device to generate two-mode discrete entangled states, which can serve as a resource in quantum information protocols. The advantage of these operations are tested by applying the generated entangled states as quantum channels in CV quantum teleportation, under the Braunstein and Kimble protocol. We observe that, under these operations, while the average fidelity of CV teleportation is enhanced for the nonclassical channel formed using input squeezed states, it remains at the classical threshold for input coherent and thermal states. This is due to the fact that though these operations can introduce discrete entanglement in all input states, it enhances the Einstein-Podolosky-Rosen correlations only in the nonclassical squeezed state inputs, leading to an advantage in CV teleportation. This shows that nonclassical optical states generated using the above operations on classical coherent and thermal state inputs are not useful for CV teleportation. This investigation could prove useful for the efficient implementation of noisy non-Gaussian channels, formed by linear operations, in future teleportation protocols.

  7. Modelling low Reynolds number vortex-induced vibration problems with a fixed mesh fluid-solid interaction formulation

    Science.gov (United States)

    González Cornejo, Felipe A.; Cruchaga, Marcela A.; Celentano, Diego J.

    2017-11-01

    The present work reports a fluid-rigid solid interaction formulation described within the framework of a fixed-mesh technique. The numerical analysis is focussed on the study of a vortex-induced vibration (VIV) of a circular cylinder at low Reynolds number. The proposed numerical scheme encompasses the fluid dynamics computation in an Eulerian domain where the body is embedded using a collection of markers to describe its shape, and the rigid solid's motion is obtained with the well-known Newton's law. The body's velocity is imposed on the fluid domain through a penalty technique on the embedded fluid-solid interface. The fluid tractions acting on the solid are computed from the fluid dynamic solution of the flow around the body. The resulting forces are considered to solve the solid motion. The numerical code is validated by contrasting the obtained results with those reported in the literature using different approaches for simulating the flow past a fixed circular cylinder as a benchmark problem. Moreover, a mesh convergence analysis is also done providing a satisfactory response. In particular, a VIV problem is analyzed, emphasizing the description of the synchronization phenomenon.

  8. Compact quantum random number generator based on superluminescent light-emitting diodes

    Science.gov (United States)

    Wei, Shihai; Yang, Jie; Fan, Fan; Huang, Wei; Li, Dashuang; Xu, Bingjie

    2017-12-01

    By measuring the amplified spontaneous emission (ASE) noise of the superluminescent light emitting diodes, we propose and realize a quantum random number generator (QRNG) featured with practicability. In the QRNG, after the detection and amplification of the ASE noise, the data acquisition and randomness extraction which is integrated in a field programmable gate array (FPGA) are both implemented in real-time, and the final random bit sequences are delivered to a host computer with a real-time generation rate of 1.2 Gbps. Further, to achieve compactness, all the components of the QRNG are integrated on three independent printed circuit boards with a compact design, and the QRNG is packed in a small enclosure sized 140 mm × 120 mm × 25 mm. The final random bit sequences can pass all the NIST-STS and DIEHARD tests.

  9. Quantum correlation between the junction-voltage fluctuation and the photon-number fluctuation in a semiconductor laser

    Science.gov (United States)

    Richardson, W. H.; Yamamoto, Y.

    1991-01-01

    The photon-number fluctuation of the external field from a semiconductor laser - which was reduced to below the standard quantum limit - is shown to be correlated with the measured junction-voltage noise. The spectral density of the sum of the photon-number fluctuation and junction-voltage fluctuation falls below the squeezed photon-number fluctuation. This confirms the theoretical predictions that this correlation, which originates in the dipole interaction between the internal field and electron-hole pairs, extends into the quantum regime.

  10. A Group Theoretical and Quantum Chemical Study of Electronic Absorption and Fluorescence, Vibrational Spectra, and Conformations of Trimethine Cyanine Dye Molecules

    Directory of Open Access Journals (Sweden)

    Vita Solomko

    2016-01-01

    Full Text Available The energetic structures and conformations of trimethine cyanine dye molecules were investigated. For research, group theoretical and quantum chemical calculation methods were used. The theoretical group analysis of electronic and vibrational structure of molecules was carried out. Also, the energetic structures and conformations of the molecule of this dye were studied. Research shows that the investigated molecule may reside in three different conformational states, one of which is highly symmetric (symmetry C2v and the other two with low symmetry. The third conformer is characterized by lowering of binding energy of the electronic system by 0.23 eV, and the long-wavelength absorption band is shifted to lower energies. Also the group theoretical analysis of the trimethine cyanine molecule had allowed systematizing the vibrational and electronic quantum transitions and identifying the bands in the absorption spectra. It is shown that the excitation of the molecule in S1-state causes trans-cis-isomerization. The presence of the barrier of ~0.1 eV allows the fluorescence process to compete with isomerization process, but isomerization causes a decrease in the fluorescence quantum yield of the dye.

  11. Vortex-induced vibrations of circular cylinder in cross flow at supercritical Reynolds numbers; Chorinkai Reynolds su ryoiki ni okeru enchu no uzu reiki shindo

    Energy Technology Data Exchange (ETDEWEB)

    Kawamura, T.; Nakao, T.; Takahashi, M.; Hayashi, M.; Goto, N. [Hitachi, Ltd., Tokyo (Japan)

    1999-07-25

    Vortex-induced vibrations were measured for a circular cylinder subjected to a water cross flow at supercritical Reynolds numbers for a wide range of reduced velocities. Turbulence intensities were changed from 1% to 13% in order to investigate the effect of the Strouhal number on the region of synchronization by symmetrical and Karman vortex shedding. The reduced damping of the test cylinder was about 0.1 in water. The surface roughness of the cylinder was a mirror-polished surface. Strouhal number decreased from about 0.48 to 0.29 with increasing turbulence intensity. Synchronized vibrations were observed even at supercritical Reynolds numbers where fluctuating fluid force was small. Reduced velocities at which drag and lift direction lock-in by Karman vortex shedding were initiated decreased with increasing Strouhal number. When Strouhal number was about 0.29, the self-excited vibration in drag direction by symmetrical vortex shedding began at which the frequency ratio of Karman vortex shedding frequency to the natural frequency of cylinder was 0.32. (author)

  12. Free and Forced Vibrations of an Axially-Loaded Timoshenko Multi-Span Beam Carrying a Number of Various Concentrated Elements

    Directory of Open Access Journals (Sweden)

    Yusuf Yesilce

    2012-01-01

    Full Text Available In the existing reports regarding free and forced vibrations of the beams, most of them studied a uniform beam carrying various concentrated elements using Bernoulli-Euler Beam Theory (BET but without axial force. The purpose of this paper is to utilize the numerical assembly technique to determine the exact frequency-response amplitudes of the axially-loaded Timoshenko multi-span beam carrying a number of various concentrated elements (including point masses, rotary inertias, linear springs and rotational springs and subjected to a harmonic concentrated force and the exact natural frequencies and mode shapes of the beam for the free vibration analysis. The model allows analyzing the influence of the shear and axial force and harmonic concentrated force effects and intermediate concentrated elements on the dynamic behavior of the beams by using Timoshenko Beam Theory (TBT. At first, the coefficient matrices for the intermediate concentrated elements, an intermediate pinned support, applied harmonic force, left-end support and right-end support of Timoshenko beam are derived. After the derivation of the coefficient matrices, the numerical assembly technique is used to establish the overall coefficient matrix for the whole vibrating system. Finally, solving the equations associated with the last overall coefficient matrix one determines the exact dynamic response amplitudes of the forced vibrating system corresponding to each specified exciting frequency of the harmonic force. Equating the determinant of the overall coefficient matrix to zero one determines the natural frequencies of the free vibrating system (the case of zero harmonic force and substituting the corresponding values of integration constants into the related eigenfunctions one determines the associated mode shapes. The calculated vibration amplitudes of the forced vibrating systems and the natural frequencies of the free vibrating systems are given in tables for different values of

  13. Charge Number Dependence of the Dephasing Rates of a Graphene Double Quantum Dot in a Circuit QED Architecture.

    Science.gov (United States)

    Deng, Guang-Wei; Wei, Da; Johansson, J R; Zhang, Miao-Lei; Li, Shu-Xiao; Li, Hai-Ou; Cao, Gang; Xiao, Ming; Tu, Tao; Guo, Guang-Can; Jiang, Hong-Wen; Nori, Franco; Guo, Guo-Ping

    2015-09-18

    We use an on-chip superconducting resonator as a sensitive meter to probe the properties of graphene double quantum dots at microwave frequencies. Specifically, we investigate the charge dephasing rates in a circuit quantum electrodynamics architecture. The dephasing rates strongly depend on the number of charges in the dots, and the variation has a period of four charges, over an extended range of charge numbers. Although the exact mechanism of this fourfold periodicity in dephasing rates is an open problem, our observations hint at the fourfold degeneracy expected in graphene from its spin and valley degrees of freedom.

  14. Nonadiabatic quantum dynamics calculations of transition state spectroscopy of I + HI and I + DI reactions: the existence of long life vibrational bonding resonances.

    Science.gov (United States)

    Takayanagi, Toshiyuki

    2017-11-08

    We present the results of nonadiabatic quantum wave packet calculations to analyze the experimental transition state spectra for the I(2P3/2,1/2) + XI (X = H and D) hydrogen exchange reactions based on photodetachment of the IXI- anion. We developed (3 × 3) diabatic potential energy surfaces that can reasonably describe the nonadiabatic transitions induced by spin-orbit interactions. A good agreement was obtained between theory and experiment and it was found that nonadiabatic transitions play a role in the reaction dynamics. We also found that the calculated spectra showed very sharp resonance states with a vibrational bonding character, where the resonance wavefunctions are highly localized around the transition state region. Our calculated results suggest that one may experimentally detect these vibrational bonding resonances using time-domain transition state spectroscopy techniques since those states have picosecond-order lifetimes.

  15. Strong Quantum Coupling in the Vibrational Signatures of a Symmetric Ionic Hydrogen Bond: The Case of (CH3OH)2H(.).

    Science.gov (United States)

    Tan, Jake A; Kuo, Jer-Lai

    2015-11-19

    Vibrational coupling between proton and flanking group motions in the ionic hydrogen bond (IHB) of (CH3OH)2H(+) were studied by solving reduced-dimension vibrational Schrödinger equations. Potential energy and dipole surfaces along a few key normal modes were constructed with high-level ab initio methods. It was found that the IHB stretch parallel to O-O axis strongly couples with the out-of-phase C-O stretch and out-of-phase in-plane CH3 rock with COH deformation. Such strong quantum coupling leads to a complex triplet at 850-1100 cm(-1) region. Furthermore, we have investigated the possible active role of torsional motion in intensity redistribution.

  16. Quantum dynamics study on the binding of a positron to vibrationally excited states of hydrogen cyanide molecule

    Science.gov (United States)

    Takayanagi, Toshiyuki; Suzuki, Kento; Yoshida, Takahiko; Kita, Yukiumi; Tachikawa, Masanori

    2017-05-01

    We present computational results of vibrationally enhanced positron annihilation in the e+ + HCN/DCN collisions within a local complex potential model. Vibrationally elastic and inelastic cross sections and effective annihilation rates were calculated by solving a time-dependent complex-potential Schrödinger equation under the ab initio potential energy surface for the positron attached HCN molecule, [HCN; e+], with multi-component configuration interaction level (Kita and Tachikawa, 2014). We discuss the effect of vibrational excitation on the positron affinities from the obtained vibrational resonance features.

  17. Vibrational spectra of halide-water dimers: Insights on ion hydration from full-dimensional quantum calculations on many-body potential energy surfaces

    Science.gov (United States)

    Bajaj, Pushp; Wang, Xiao-Gang; Carrington, Tucker; Paesani, Francesco

    2018-03-01

    Full-dimensional vibrational spectra are calculated for both X-(H2O) and X-(D2O) dimers (X = F, Cl, Br, I) at the quantum-mechanical level. The calculations are carried out on two sets of recently developed potential energy functions (PEFs), namely, Thole-type model energy (TTM-nrg) and many-body energy (MB-nrg), using the symmetry-adapted Lanczos algorithm with a product basis set including all six vibrational coordinates. Although both TTM-nrg and MB-nrg PEFs are derived from coupled-cluster single double triple-F12 data obtained in the complete basis set limit, they differ in how many-body effects are represented at short range. Specifically, while both models describe long-range interactions through the combination of two-body dispersion and many-body classical electrostatics, the relatively simple Born-Mayer functions employed in the TTM-nrg PEFs to represent short-range interactions are replaced in the MB-nrg PEFs by permutationally invariant polynomials to achieve chemical accuracy. For all dimers, the MB-nrg vibrational spectra are in close agreement with the available experimental data, correctly reproducing anharmonic and nuclear quantum effects. In contrast, the vibrational frequencies calculated with the TTM-nrg PEFs exhibit significant deviations from the experimental values. The comparison between the TTM-nrg and MB-nrg results thus reinforces the notion that an accurate representation of both short-range interactions associated with electron density overlap and long-range many-body electrostatic interactions is necessary for a correct description of hydration phenomena at the molecular level.

  18. Temperature-dependent vibrational spectra and structure of liquid water from classical and quantum simulations with the MB-pol potential energy function.

    Science.gov (United States)

    Reddy, Sandeep K; Moberg, Daniel R; Straight, Shelby C; Paesani, Francesco

    2017-12-28

    The structure of liquid water as a function of temperature is investigated through the modeling of infrared and Raman spectra along with structural order parameters calculated from classical and quantum molecular dynamics simulations with the MB-pol many-body potential energy function. The magnitude of nuclear quantum effects is also monitored by comparing the vibrational spectra obtained from classical and centroid molecular dynamics, both in intensities and peak positions. The observed changes in spectral activities are shown to reflect changes in the underlying structure of the hydrogen-bond network and are found to be particularly sensitive to many-body effects in the representation of the electrostatic interactions. Overall, good agreement is found with the experimental spectra, which provides further evidence for the accuracy of MB-pol in predicting the properties of water.

  19. Temperature-dependent vibrational spectra and structure of liquid water from classical and quantum simulations with the MB-pol potential energy function

    Science.gov (United States)

    Reddy, Sandeep K.; Moberg, Daniel R.; Straight, Shelby C.; Paesani, Francesco

    2017-12-01

    The structure of liquid water as a function of temperature is investigated through the modeling of infrared and Raman spectra along with structural order parameters calculated from classical and quantum molecular dynamics simulations with the MB-pol many-body potential energy function. The magnitude of nuclear quantum effects is also monitored by comparing the vibrational spectra obtained from classical and centroid molecular dynamics, both in intensities and peak positions. The observed changes in spectral activities are shown to reflect changes in the underlying structure of the hydrogen-bond network and are found to be particularly sensitive to many-body effects in the representation of the electrostatic interactions. Overall, good agreement is found with the experimental spectra, which provides further evidence for the accuracy of MB-pol in predicting the properties of water.

  20. Quantum Numbers of Eigenstates of Generalized de Broglie-Bargmann- Wigner Equations for Fermions with Partonic Substructure

    Science.gov (United States)

    Stumpf, H.

    2003-01-01

    Generalized de Broglie-Bargmann-Wigner (BBW) equations are relativistically invariant quantum mechanical many body equations with nontrivial interaction, selfregularization and probability interpretation. Owing to these properties these equations are a suitable means for describing relativistic bound states of fermions. In accordance with de Broglie's fusion theory and modern assumptions about the partonic substructure of elementary fermions, i.e., leptons and quarks, the three-body generalized BBW-equations are investigated. The transformation properties and quantum numbers of the three-parton equations under the relevant group actions are elaborated in detail. Section 3 deals with the action of the isospin group SU(2), a U(1) global gauge group for the fermion number, the hypercharge and charge generators. The resulting quantum numbers of the composite partonic systems can be adapted to those of the phenomenological particles to be described. The space-time transformations and in particular rotations generated by angular momentum operators are considered in Section 4. Based on the compatibility of the BBW-equations and the group theoretical constraints, in Sect. 5 integral equations are formulated in a representation with diagonal energy and total angular momentum variables. The paper provides new insight into the solution space and quantum labels of resulting integral equations for three parton states and prepares the ground for representing leptons and quarks as composite systems.

  1. Approach to equilibrium of a quantum system and generalization of the Montroll-Shuler equation for vibrational relaxation of a molecular oscillator

    Science.gov (United States)

    Kenkre, V. M.; Chase, M.

    2017-08-01

    The approach to equilibrium of a quantum mechanical system in interaction with a bath is studied from a practical as well as a conceptual point of view. Explicit memory functions are derived for given models of bath couplings. If the system is a harmonic oscillator representing a molecule in interaction with a reservoir, the generalized master equation derived becomes an extension into the coherent domain of the well-known Montroll-Shuler equation for vibrational relaxation and unimolecular dissociation. A generalization of the Bethe-Teller result regarding energy relaxation is found for short times. The theory has obvious applications to relaxation dynamics at ultra-short times as in observations on the femtosecond time scale and to the investigation of quantum coherence at those short times. While vibrational relaxation in chemical physics is a primary target of the study, another system of interest in condensed matter physics, an electron or hole in a lattice subjected to a strong DC electric field that gives rise to well-known Wannier-Stark ladders, is naturally addressed with the theory. Specific system-bath interactions are explored to obtain explicit details of the dynamics. General phenomenological descriptions of the reservoir are considered rather than specific microscopic realizations.

  2. Vibrational Quantum Transport

    DEFF Research Database (Denmark)

    Engelund, Mads

    Denne afhandling beskriver teoretisk og numerisk arbejde, som undersøger indflydelsen af vibrationer på varmetransport og strøm i realistiske nanoskala systemer. Den vigtigste og mest tidskrævende del af dette arbejde har været at designe og implementere en praktisk metode til at beregne vibratio...

  3. Vibration-rotation-tunneling dynamics in small water clusters

    Energy Technology Data Exchange (ETDEWEB)

    Pugliano, Nick [Univ. of California, Berkeley, CA (United States)

    1992-11-01

    The goal of this work is to characterize the intermolecular vibrations of small water clusters. Using tunable far infrared laser absorption spectroscopy, large amplitude vibration-rotation-tunneling (VRT) dynamics in vibrationally excited states of the water dimer and the water trimer are investigated. This study begins with the measurement of 12 VRT subbands, consisting of approximately 230 transitions, which are assigned to an 82.6 cm-1 intermolecular vibration of the water dimer-d4. Each of the VRT subbands originate from Ka''=0 and terminate in either Ka'=0 or 1. These data provide a complete characterization of the tunneling dynamics in the vibrationally excited state as well as definitive symmetry labels for all VRT energy levels. Furthermore, an accurate value for the A' rotational constant is found to agree well with its corresponding ground state value. All other excited state rotational constants are fitted, and discussed in terms of the corresponding ground state constants. In this vibration, the quantum tunneling motions are determined to exhibit large dependencies with both the Ka' quantum number and the vibrational coordinate, as is evidenced by the measured tunneling splittings. The generalized internal-axis-method treatment which has been developed to model the tunneling dynamics, is considered for the qualitative description of each tunneling pathway, however, the variation of tunneling splittings with vibrational excitation indicate that the high barrier approximation does not appear to be applicable for this vibrational coordinate. The data are consistent with a motion possessing a' symmetry, and the vibration is assigned as the v12 acceptor bending coordinate. This assignment is in agreement with the vibrational symmetry, the resultsof high level ab initio calculations, and preliminary data assigned to the analogous vibration in the D2

  4. Vibration-rotation-tunneling dynamics in small water clusters

    Energy Technology Data Exchange (ETDEWEB)

    Pugliano, N.

    1992-11-01

    The goal of this work is to characterize the intermolecular vibrations of small water clusters. Using tunable far infrared laser absorption spectroscopy, large amplitude vibration-rotation-tunneling (VRT) dynamics in vibrationally excited states of the water dimer and the water trimer are investigated. This study begins with the measurement of 12 VRT subbands, consisting of approximately 230 transitions, which are assigned to an 82.6 cm[sup [minus]1] intermolecular vibration of the water dimer-d[sub 4]. Each of the VRT subbands originate from K[sub a][double prime]=0 and terminate in either K[sub a][prime]=0 or 1. These data provide a complete characterization of the tunneling dynamics in the vibrationally excited state as well as definitive symmetry labels for all VRT energy levels. Furthermore, an accurate value for the A[prime] rotational constant is found to agree well with its corresponding ground state value. All other excited state rotational constants are fitted, and discussed in terms of the corresponding ground state constants. In this vibration, the quantum tunneling motions are determined to exhibit large dependencies with both the K[sub a][prime] quantum number and the vibrational coordinate, as is evidenced by the measured tunneling splittings. The generalized internal-axis-method treatment which has been developed to model the tunneling dynamics, is considered for the qualitative description of each tunneling pathway, however, the variation of tunneling splittings with vibrational excitation indicate that the high barrier approximation does not appear to be applicable for this vibrational coordinate. The data are consistent with a motion possessing a[prime] symmetry, and the vibration is assigned as the [nu][sub 12] acceptor bending coordinate. This assignment is in agreement with the vibrational symmetry, the resultsof high level ab initio calculations, and preliminary data assigned to the analogous vibration in the D[sub 2]O-DOH isotopomer.

  5. Beating the photon-number-splitting attack in practical quantum cryptography.

    Science.gov (United States)

    Wang, Xiang-Bin

    2005-06-17

    We propose an efficient method to verify the upper bound of the fraction of counts caused by multiphoton pulses in practical quantum key distribution using weak coherent light, given whatever type of Eve's action. The protocol simply uses two coherent states for the signal pulses and vacuum for the decoy pulse. Our verified upper bound is sufficiently tight for quantum key distribution with a very lossy channel, in both the asymptotic and nonasymptotic case. So far our protocol is the only decoy-state protocol that works efficiently for currently existing setups.

  6. Increased coincidence detection for quantum versus pseudo-generated random numbers

    NARCIS (Netherlands)

    Boshoff, Lieze; Jolij, Jacob

    2015-01-01

    People often see meaning in stimuli that are typically considered meaningless. According to Von Lucadou’s idea of Generalized Quantum Teory (GQT), such perceived coincidences, or examples of synchronicity, may be the result of entanglement between a conscious observer and the physical world. Here we

  7. Bound on the number of functions that can be distinguished with k quantum queries

    Science.gov (United States)

    Farhi, Edward; Goldstone, Jeffrey; Gutmann, Sam; Sipser, Michael

    1999-12-01

    Suppose an oracle is known to hold one of a given set of D two-valued functions. To successfully identify which function the oracle holds with k classical queries, it must be the case that D is at most 2k. In this paper we derive a bound for how many functions can be distinguished with k quantum queries.

  8. Quantum

    CERN Document Server

    Al-Khalili, Jim

    2003-01-01

    In this lively look at quantum science, a physicist takes you on an entertaining and enlightening journey through the basics of subatomic physics. Along the way, he examines the paradox of quantum mechanics--beautifully mathematical in theory but confoundingly unpredictable in the real world. Marvel at the Dual Slit experiment as a tiny atom passes through two separate openings at the same time. Ponder the peculiar communication of quantum particles, which can remain in touch no matter how far apart. Join the genius jewel thief as he carries out a quantum measurement on a diamond without ever touching the object in question. Baffle yourself with the bizzareness of quantum tunneling, the equivalent of traveling partway up a hill, only to disappear then reappear traveling down the opposite side. With its clean, colorful layout and conversational tone, this text will hook you into the conundrum that is quantum mechanics.

  9. Correlation between the structural and cathodoluminescence properties in InGaN/GaN multiple quantum wells with large number of quantum wells

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Jing; Zhao, Degang, E-mail: dgzhao@red.semi.ac.cn; Jiang, Desheng; Chen, Ping; Zhu, Jianjun; Liu, Zongshun; Le, Lingcong; He, Xiaoguang; Li, Xiaojing [State Key Laboratory on Integrated Optoelectronics, Institute of Semiconductors, Chinese Academy of Sciences, PO BOX 912, Beijing 100083 (China); Wang, Hui; Yang, Hui [Suzhou Institute of Nano-tech and Nano-bionics, Chinese Academy of Sciences, Suzhou 215123 (China); Jahn, Uwe [Paul-Drude-Institut für Festkörperelektronik, Hausvogteiplatz 5–7, 10117 Berlin (Germany)

    2014-09-01

    Cathodoluminescence (CL) characteristics on 30-period InGaN/GaN multiple quantum well (MQW) solar cell structures are investigated, revealing the relationship between optical and structural properties of the MQW structures with a large number of quantum wells. In the bottom MQW layers, a blueshift of CL peak along the growth direction is found and attributed to the decrease of indium content due to the compositional pulling effect. An obvious split of emission peak and a redshift of the main emission energy are found in the top MQW layers when the MQW grows above the critical layer thickness. They are attributed to the segregation of In-rich InGaN clusters rather than the increase of indium content in quantum well layer. The MQW structure is identified to consist of two regions: a strained one in the bottom, where the indium content is gradually decreased, and a partly relaxed one in the top with segregated In-rich InGaN clusters.

  10. The vibrational structure of (E,E’)-1,4-diphenyl-1,3-butadiene. Linear dichroism FTIR spectroscopy and quantum chemical calculations

    DEFF Research Database (Denmark)

    Hansen, Bjarke Knud Vilster; Møller, Søren; Spanget-Larsen, Jens

    2006-01-01

    The title compound (DPB) was investigated by FTIR spectroscopy in liquid solutions and by FTIR linear dichroism (LD) measurements on samples aligned in stretched polyethylene. The LD data provided experimental assignments of molecular transition moment directions and vibrational symmetries for more...... of a nearly complete assignment of the IR active fundamentals of DPB, involving reassignment of a number of transitions. In addition, previously published Raman spectra of DPB were well predicted by the B3LYP/cc-pVTZ calculations....

  11. Quantum-Phase Resolved Mapping of Ground-State Vibrational D2 Wave Packets via Selective Depletion in Intense Laser Pulses

    Science.gov (United States)

    Ergler, Th.; Feuerstein, B.; Rudenko, A.; Zrost, K.; Schröter, C. D.; Moshammer, R.; Ullrich, J.

    2006-09-01

    Applying 7 fs pump-probe pulses (780nm, 4×1014W/cm2) we observe electronic ground-state vibrational wave packets in neutral D2 with a period of T=11.101(70)fs by following the internuclear separation (R-)dependent ionization with a sensitivity of Δ⟨R⟩≤0.02Å. The absolute phase of the wave packet’s motion provides evidence for R-dependent depletion of the ground state by nonlinear ionization, to be the dominant preparation mechanism. A phase shift of about π found between pure ionization (D2+) and dissociation (D++D) channels opens a pathway of quantum control.

  12. Synthesis, crystal structure, vibrational spectral analysis and Z-scan studies of a new organic crystal N,N‧dimethylurea ninhydrin: A scaled quantum mechanical force field study

    Science.gov (United States)

    John, Jerin Susan; Sajan, D.; Umadevi, T.; Chaitanya, K.; Sankar, Pranitha; Philip, Reji

    2015-10-01

    A new organic material, N,N‧dimethylurea ninhydrin (3a,8a-dihydroxy-1,3-dimethyl-1,3,3a,8a-tetrahydroindeno[2,1-d]imidazole-2,8-dione) (NDUN) was synthesized. Structural details were obtained from single crystal X-ray diffraction (XRD) data. A detailed interpretation of the vibrational spectra is carried out with the aid of normal coordinate analysis following the scaled quantum mechanical force field methodology. TG/DTA and 1H NMR studies were carried out. Linear optical properties were studied from UV-Vis spectra. From the open aperture Z-scan data, it is found that the molecule shows third order nonlinear optical behaviour due to two photon absorption (2PA) mechanism.

  13. Origin of long-lived oscillations in 2D-spectra of a quantum vibronic model: Electronic versus vibrational coherence

    Energy Technology Data Exchange (ETDEWEB)

    Plenio, M. B.; Almeida, J.; Huelga, S. F. [Institute for Theoretical Physics, Albert-Einstein-Allee 11, University Ulm, D-89069 Ulm (Germany)

    2013-12-21

    We demonstrate that the coupling of excitonic and vibrational motion in biological complexes can provide mechanisms to explain the long-lived oscillations that have been obtained in nonlinear spectroscopic signals of different photosynthetic pigment protein complexes and we discuss the contributions of excitonic versus purely vibrational components to these oscillatory features. Considering a dimer model coupled to a structured spectral density we exemplify the fundamental aspects of the electron-phonon dynamics, and by analyzing separately the different contributions to the nonlinear signal, we show that for realistic parameter regimes purely electronic coherence is of the same order as purely vibrational coherence in the electronic ground state. Moreover, we demonstrate how the latter relies upon the excitonic interaction to manifest. These results link recently proposed microscopic, non-equilibrium mechanisms to support long lived coherence at ambient temperatures with actual experimental observations of oscillatory behaviour using 2D photon echo techniques to corroborate the fundamental importance of the interplay of electronic and vibrational degrees of freedom in the dynamics of light harvesting aggregates.

  14. Origin of long-lived oscillations in 2D-spectra of a quantum vibronic model: electronic versus vibrational coherence.

    Science.gov (United States)

    Plenio, M B; Almeida, J; Huelga, S F

    2013-12-21

    We demonstrate that the coupling of excitonic and vibrational motion in biological complexes can provide mechanisms to explain the long-lived oscillations that have been obtained in nonlinear spectroscopic signals of different photosynthetic pigment protein complexes and we discuss the contributions of excitonic versus purely vibrational components to these oscillatory features. Considering a dimer model coupled to a structured spectral density we exemplify the fundamental aspects of the electron-phonon dynamics, and by analyzing separately the different contributions to the nonlinear signal, we show that for realistic parameter regimes purely electronic coherence is of the same order as purely vibrational coherence in the electronic ground state. Moreover, we demonstrate how the latter relies upon the excitonic interaction to manifest. These results link recently proposed microscopic, non-equilibrium mechanisms to support long lived coherence at ambient temperatures with actual experimental observations of oscillatory behaviour using 2D photon echo techniques to corroborate the fundamental importance of the interplay of electronic and vibrational degrees of freedom in the dynamics of light harvesting aggregates.

  15. An On-Demand Optical Quantum Random Number Generator with In-Future Action and Ultra-Fast Response.

    Science.gov (United States)

    Stipčević, Mario; Ursin, Rupert

    2015-06-09

    Random numbers are essential for our modern information based society e.g. in cryptography. Unlike frequently used pseudo-random generators, physical random number generators do not depend on complex algorithms but rather on a physical process to provide true randomness. Quantum random number generators (QRNG) do rely on a process, which can be described by a probabilistic theory only, even in principle. Here we present a conceptually simple implementation, which offers a 100% efficiency of producing a random bit upon a request and simultaneously exhibits an ultra low latency. A careful technical and statistical analysis demonstrates its robustness against imperfections of the actual implemented technology and enables to quickly estimate randomness of very long sequences. Generated random numbers pass standard statistical tests without any post-processing. The setup described, as well as the theory presented here, demonstrate the maturity and overall understanding of the technology.

  16. Structural, quantum chemical, vibrational and thermal studies of a hydrogen bonded zwitterionic co-crystal (nicotinic acid: pyrogallol)

    Science.gov (United States)

    Prabha, E. Arockia Jeya Yasmi; Kumar, S. Suresh; Athimoolam, S.; Sridhar, B.

    2017-02-01

    In the present work, a new co-crystal of nicotinic acid with pyrogallol (NICPY) has been grown in the zwitterionic form and the corresponding structural, vibrational, thermal, solubility and anti-cancer characteristics have been reported. The single crystal X-ray diffraction analysis confirms that the structural molecular packing of the crystal stabilized through N-H⋯O and O-H⋯O hydrogen bond. The stabilization energy of the hydrogen bond motifs were calculated in the solid state. Vibrational spectral studies such as Fourier transform-infrared (FT-IR) and FT-Raman were adopted to understand the zwitterionic co-crystalline nature of the compound, which has been compared with theoretically calculated vibrational frequencies. The thermal stability of the grown co-crystal was analyzed by TG/DTA study. The solubility of the NICPY co-crystal was investigated in water at different temperature and compared with that of the nicotinic acid, which is the parent compound of NICPY co-crystal. The grown crystals were treated with human cervical cancer cell line (HeLa) to analyze the cytotoxicity of NICPY crystals and compared with the parent compound, which shows that NICPY has moderate activity against human cervical cancer cell line.

  17. Fukui Function Analysis and Optical, Electronic, and Vibrational Properties of Tetrahydrofuran and Its Derivatives: A Complete Quantum Chemical Study

    Directory of Open Access Journals (Sweden)

    Apoorva Dwivedi

    2015-01-01

    Full Text Available The spectroscopic, optical, and electronic properties of tetrahydrofuran and its derivatives were investigated by FTIR techniques. We have done a comparative study of tetrahydrofuran and its derivatives with B3LYP with 6-311 G (d, p as the basis set. Here we have done a relative study of their structures, vibrational assignments, and thermal, electronic, and optical properties of ttetrahydrofuran and its derivatives. We have plotted frontier orbital HOMO-LUMO surfaces and molecular electrostatic potential surfaces to explain the reactive nature of tetrahydrofuran and its derivatives.

  18. A generator for unique quantum random numbers based on vacuum states

    DEFF Research Database (Denmark)

    Gabriel, C.; Wittmann, C.; Sych, D.

    2010-01-01

    Random numbers are a valuable component in diverse applications that range from simulations(1) over gambling to cryptography(2,3). The quest for true randomness in these applications has engendered a large variety of different proposals for producing random numbers based on the foundational unpre...

  19. Vibrational energy flow in substituted benzenes

    Science.gov (United States)

    Pein, Brandt C.

    Using ultrafast infrared (IR) Raman spectroscopy, vibrational energy flow was monitored in several liquid-state substituted benzenes at ambient temperature. In a series of mono-halogenated benzenes, X-C6H 5 (X = F, Cl, Br, I), a similar CH-stretch at 3068 cm-1 was excited using picosecond IR pulses and the resulting vibrational relaxation and overall vibrational cooling processes were monitored with anti-Stokes spectroscopy. In the molecules with a heavier halide substituent the CH-stretch decayed slower while midrange vibrations decayed faster. This result was logical if the density of states (DOS) in the first few tiers, which is the DOS composed of vibrations with smaller quantum number, is what primarily determines energy flow. For tiers 1-4, the DOS was nearly identical in the CH-stretch region while it increased in the midrange region for heavier halide mass. Excitation spectroscopy, an extension of 3D IR-Raman spectroscopy, was developed and used to selectively pump vibrations localized to the substituent or the phenyl group in nitrobenzene (NB), o-fluoronitrobenzene (OFNB) and o-nitrotoluene (ONT) and in the alkylbenzene series toluene, isopropylbenzene (IPB), and t-butylbenzene (TBB). Using quantum chemical calculations, each Raman active vibration was sorted, according to their atomic displacements, into three classifications: substituent, phenyl, or global. Using IR pump wavenumbers that initially excited substituent or phenyl vibrations, IR-Raman spectroscopy was used to monitor energy flowing from the substituent to phenyl vibrations and vice versa. In NB nitro-to-phenyl and nitro-to-global energy flow was almost nonexistent while phenyl-to-nitro and phenyl-to-global was weak. When ortho substituents (-CH3, -F) were introduced, energy flow from nitro-to-phenyl and nitro-to-global was activated. In ONT, phenyl-to-nitro energy flow ceased possibly due to the added methyl group diverting energy from entering the nitro vibrations. Energy flow is therefore

  20. Super-micron-scale atomistic simulation for electronic transport with atomic vibration: Unified approach from quantum to classical transport

    Science.gov (United States)

    Ishizeki, Keisuke; Sasaoka, Kenji; Konabe, Satoru; Souma, Satofumi; Yamamoto, Takahiro

    2017-07-01

    We develop a powerful simulation method that can treat electronic transport in a super-micron-scale open system with atomic vibration at finite temperature. As an application of the developed method to realistic materials, we simulate electronic transport in metallic single-walled carbon nanotubes from nanometer scale to micrometer scale at room temperature. Based on the simulation results, we successfully identify two different crossovers, namely, ballistic to diffusive crossover and coherent to incoherent crossover, simultaneously and with equal footing, from which the mean free path and the phase coherence length can be extracted clearly. Moreover, we clarify the scaling behavior of the electrical resistance and the electronic current in the crossover regime.

  1. Influence of the spin quantum number $s$ on the zero-temperature phase transition in the square lattice $J$-$J'$ model

    OpenAIRE

    Darradi, R.; Richter, J.; Farnell, D. J. J.

    2004-01-01

    We investigate the phase diagram of the Heisenberg antiferromagnet on the square lattice with two different nearest-neighbor bonds $J$ and $J'$ ($J$-$J'$ model) at zero temperature. The model exhibits a quantum phase transition at a critical value $J'_c > J$ between a semi-classically ordered N\\'eel and a magnetically disordered quantum paramagnetic phase of valence-bond type, which is driven by local singlet formation on $J'$ bonds. We study the influence of spin quantum number $s$ on this p...

  2. Analysis of a photon number resolving detector based on fluorescence readout of an ion Coulomb crystal quantum memory inside an optical cavity

    DEFF Research Database (Denmark)

    Clausen, Christoph; Sangouard, N.; Drewsen, M.

    2013-01-01

    The ability to detect single photons with a high efficiency is a crucial requirement for various quantum information applications. By combining the storage process of a quantum memory for photons with fluorescence-based quantum state measurement, it is, in principle, possible to achieve high...... larger than 93%. Moderate experimental parameters allow for repetition rates of about 3 kHz, limited by the time needed for fluorescence collection and re-cooling of the ions between trials. Our analysis may lead to the first implementation of a photon number resolving detector in atomic ensembles....

  3. Optimizing Decoy State Enabled Quantum Key Distribution Systems to Maximize Quantum Throughput and Detect Photon Number Splitting Attacks with High Confidence

    OpenAIRE

    Mailloux, Logan O.; Grimaila, Michael R.; Hodson, Douglas D.; Engle, Ryan D.; McLaughlin, Colin V.; Gerald B. Baumgartner

    2016-01-01

    Quantum Key Distribution (QKD) is an innovative quantum communications protocol which exploits the laws of quantum mechanics to generate unconditionally secure cryptographic keying material between two geographically separated parties. The unique nature of QKD shows promise for high-security applications such as those found in banking, government, and military environments. However, QKD systems contain implementation non-idealities which can negatively impact their performance and security.In...

  4. New generalization of supersymmetric quantum mechanics to arbitrary dimensionality or number of distinguishable particles.

    Science.gov (United States)

    Kouri, Donald J; Maji, Kaushik; Markovich, Thomas; Bittner, Eric R

    2010-08-19

    We present here a new approach to generalize supersymmetric quantum mechanics to treat multiparticle and multidimensional systems. We do this by introducing a vector superpotential in an orthogonal hyperspace. In the case of N distinguishable particles in three dimensions this results in a vector superpotential with 3N orthogonal components. The original scalar Schrödinger operator can be factored using a 3N-component gradient operator and introducing vector "charge" operators: Q(1) and Q(1)(dagger). Using these operators, we can write the original (scalar) Hamiltonian as H(1) = Q(1)(dagger) x Q(1) + E(0)((1)), where E(0)((1)) is the ground-state energy. The second sector Hamiltonian is a tensor given by H(2) = Q(1)Q(1)(dagger) + E(0)((1)) and is isospectral with H(1). The vector ground state of sector 2, psi(0)((2)), canbe used with the charge operator Q(1)(dagger) to obtain the excited-state wave function of the first sector. In addition, we show that H(2) can also be factored in terms of a sector 2 vector superpotential with components W(2j) = -(partial partial differential ln psi(0j)((2)))/partial partial differentialx(j). Here psi(0j)((2)) is the jth component of psi(0)((2)). Then one obtains charge operators Q(2) and Q(2)(dagger) so that the second sector Hamiltonian can be written as H(2) = Q(2)(dagger)Q(2) + E(0)((2)). This allows us to define a third sector Hamiltonian which is a scalar, H(3) = Q(2) x Q(2)(dagger) + E(0)((2)). This prescription continues with the sector Hamiltonians alternating between scalar and tensor forms, both of which can be treated by the variational method to obtain approximate solutions to both scalar and tensor sectors. We demonstrate the approach with examples of a pair of separable 1D harmonic oscillators and the example of a nonseparable 2D anharmonic oscillator (or equivalently a pair of coupled 1D oscillators). We consider both degenerate and nondegenerate cases. We also present a generalization to arbitrary curvilinear

  5. Quantum numbers of the $X(3872)$ state and orbital angular momentum in its $\\rho^0 J/\\psi$ decays

    CERN Document Server

    Aaij, Roel; Adinolfi, Marco; Affolder, Anthony; Ajaltouni, Ziad; Akar, Simon; Albrecht, Johannes; Alessio, Federico; Alexander, Michael; Ali, Suvayu; Alkhazov, Georgy; Alvarez Cartelle, Paula; Alves Jr, Antonio Augusto; Amato, Sandra; Amerio, Silvia; Amhis, Yasmine; An, Liupan; Anderlini, Lucio; Anderson, Jonathan; Andreotti, Mirco; Andrews, Jason; Appleby, Robert; Aquines Gutierrez, Osvaldo; Archilli, Flavio; d'Argent, Philippe; Artamonov, Alexander; Artuso, Marina; Aslanides, Elie; Auriemma, Giulio; Baalouch, Marouen; Bachmann, Sebastian; Back, John; Badalov, Alexey; Baesso, Clarissa; Baldini, Wander; Barlow, Roger; Barschel, Colin; Barsuk, Sergey; Barter, William; Batozskaya, Varvara; Battista, Vincenzo; Bay, Aurelio; Beaucourt, Leo; Beddow, John; Bedeschi, Franco; Bediaga, Ignacio; Bel, Lennaert; Belyaev, Ivan; Ben-Haim, Eli; Bencivenni, Giovanni; Benson, Sean; Benton, Jack; Berezhnoy, Alexander; Bernet, Roland; Bertolin, Alessandro; Bettler, Marc-Olivier; van Beuzekom, Martinus; Bien, Alexander; Bifani, Simone; Bird, Thomas; Birnkraut, Alex; Bizzeti, Andrea; Blake, Thomas; Blanc, Frédéric; Blouw, Johan; Blusk, Steven; Bocci, Valerio; Bondar, Alexander; Bondar, Nikolay; Bonivento, Walter; Borghi, Silvia; Borsato, Martino; Bowcock, Themistocles; Bowen, Espen Eie; Bozzi, Concezio; Braun, Svende; Brett, David; Britsch, Markward; Britton, Thomas; Brodzicka, Jolanta; Brook, Nicholas; Bursche, Albert; Buytaert, Jan; Cadeddu, Sandro; Calabrese, Roberto; Calvi, Marta; Calvo Gomez, Miriam; Campana, Pierluigi; Campora Perez, Daniel; Capriotti, Lorenzo; Carbone, Angelo; Carboni, Giovanni; Cardinale, Roberta; Cardini, Alessandro; Carniti, Paolo; Carson, Laurence; Carvalho Akiba, Kazuyoshi; Casanova Mohr, Raimon; Casse, Gianluigi; Cassina, Lorenzo; Castillo Garcia, Lucia; Cattaneo, Marco; Cauet, Christophe; Cavallero, Giovanni; Cenci, Riccardo; Charles, Matthew; Charpentier, Philippe; Chefdeville, Maximilien; Chen, Shanzhen; Cheung, Shu-Faye; Chiapolini, Nicola; Chrzaszcz, Marcin; Cid Vidal, Xabier; Ciezarek, Gregory; Clarke, Peter; Clemencic, Marco; Cliff, Harry; Closier, Joel; Coco, Victor; Cogan, Julien; Cogneras, Eric; Cogoni, Violetta; Cojocariu, Lucian; Collazuol, Gianmaria; Collins, Paula; Comerma-Montells, Albert; Contu, Andrea; Cook, Andrew; Coombes, Matthew; Coquereau, Samuel; Corti, Gloria; Corvo, Marco; Couturier, Benjamin; Cowan, Greig; Craik, Daniel Charles; Crocombe, Andrew; Cruz Torres, Melissa Maria; Cunliffe, Samuel; Currie, Robert; D'Ambrosio, Carmelo; Dalseno, Jeremy; David, Pieter; Davis, Adam; De Bruyn, Kristof; De Capua, Stefano; De Cian, Michel; De Miranda, Jussara; De Paula, Leandro; De Silva, Weeraddana; De Simone, Patrizia; Dean, Cameron Thomas; Decamp, Daniel; Deckenhoff, Mirko; Del Buono, Luigi; Déléage, Nicolas; Derkach, Denis; Deschamps, Olivier; Dettori, Francesco; Dey, Biplab; Di Canto, Angelo; Di Ruscio, Francesco; Dijkstra, Hans; Donleavy, Stephanie; Dordei, Francesca; Dorigo, Mirco; Dosil Suárez, Alvaro; Dossett, David; Dovbnya, Anatoliy; Dreimanis, Karlis; Dufour, Laurent; Dujany, Giulio; Dupertuis, Frederic; Durante, Paolo; Dzhelyadin, Rustem; Dziurda, Agnieszka; Dzyuba, Alexey; Easo, Sajan; Egede, Ulrik; Egorychev, Victor; Eidelman, Semen; Eisenhardt, Stephan; Eitschberger, Ulrich; Ekelhof, Robert; Eklund, Lars; El Rifai, Ibrahim; Elsasser, Christian; Ely, Scott; Esen, Sevda; Evans, Hannah Mary; Evans, Timothy; Falabella, Antonio; Färber, Christian; Farinelli, Chiara; Farley, Nathanael; Farry, Stephen; Fay, Robert; Ferguson, Dianne; Fernandez Albor, Victor; Ferrari, Fabio; Ferreira Rodrigues, Fernando; Ferro-Luzzi, Massimiliano; Filippov, Sergey; Fiore, Marco; Fiorini, Massimiliano; Firlej, Miroslaw; Fitzpatrick, Conor; Fiutowski, Tomasz; Fol, Philip; Fontana, Marianna; Fontanelli, Flavio; Forty, Roger; Francisco, Oscar; Frank, Markus; Frei, Christoph; Frosini, Maddalena; Fu, Jinlin; Furfaro, Emiliano; Gallas Torreira, Abraham; Galli, Domenico; Gallorini, Stefano; Gambetta, Silvia; Gandelman, Miriam; Gandini, Paolo; Gao, Yuanning; García Pardiñas, Julián; Garofoli, Justin; Garra Tico, Jordi; Garrido, Lluis; Gascon, David; Gaspar, Clara; Gastaldi, Ugo; Gauld, Rhorry; Gavardi, Laura; Gazzoni, Giulio; Geraci, Angelo; Gerick, David; Gersabeck, Evelina; Gersabeck, Marco; Gershon, Timothy; Ghez, Philippe; Gianelle, Alessio; Gianì, Sebastiana; Gibson, Valerie; Giubega, Lavinia-Helena; Gligorov, Vladimir; Göbel, Carla; Golubkov, Dmitry; Golutvin, Andrey; Gomes, Alvaro; Gotti, Claudio; Grabalosa Gándara, Marc; Graciani Diaz, Ricardo; Granado Cardoso, Luis Alberto; Graugés, Eugeni; Graverini, Elena; Graziani, Giacomo; Grecu, Alexandru; Greening, Edward; Gregson, Sam; Griffith, Peter; Grillo, Lucia; Grünberg, Oliver; Gui, Bin; Gushchin, Evgeny; Guz, Yury; Gys, Thierry; Hadjivasiliou, Christos; Haefeli, Guido; Haen, Christophe; Haines, Susan; Hall, Samuel; Hamilton, Brian; Hampson, Thomas; Han, Xiaoxue; Hansmann-Menzemer, Stephanie; Harnew, Neville; Harnew, Samuel; Harrison, Jonathan; He, Jibo; Head, Timothy; Heijne, Veerle; Hennessy, Karol; Henrard, Pierre; Henry, Louis; Hernando Morata, Jose Angel; van Herwijnen, Eric; Heß, Miriam; Hicheur, Adlène; Hill, Donal; Hoballah, Mostafa; Hombach, Christoph; Hulsbergen, Wouter; Humair, Thibaud; Hussain, Nazim; Hutchcroft, David; Hynds, Daniel; Idzik, Marek; Ilten, Philip; Jacobsson, Richard; Jaeger, Andreas; Jalocha, Pawel; Jans, Eddy; Jawahery, Abolhassan; Jing, Fanfan; John, Malcolm; Johnson, Daniel; Jones, Christopher; Joram, Christian; Jost, Beat; Jurik, Nathan; Kandybei, Sergii; Kanso, Walaa; Karacson, Matthias; Karbach, Moritz; Karodia, Sarah; Kelsey, Matthew; Kenyon, Ian; Kenzie, Matthew; Ketel, Tjeerd; Khanji, Basem; Khurewathanakul, Chitsanu; Klaver, Suzanne; Klimaszewski, Konrad; Kochebina, Olga; Kolpin, Michael; Komarov, Ilya; Koopman, Rose; Koppenburg, Patrick; Korolev, Mikhail; Kravchuk, Leonid; Kreplin, Katharina; Kreps, Michal; Krocker, Georg; Krokovny, Pavel; Kruse, Florian; Kucewicz, Wojciech; Kucharczyk, Marcin; Kudryavtsev, Vasily; Kurek, Krzysztof; Kvaratskheliya, Tengiz; La Thi, Viet Nga; Lacarrere, Daniel; Lafferty, George; Lai, Adriano; Lambert, Dean; Lambert, Robert W; Lanfranchi, Gaia; Langenbruch, Christoph; Langhans, Benedikt; Latham, Thomas; Lazzeroni, Cristina; Le Gac, Renaud; van Leerdam, Jeroen; Lees, Jean-Pierre; Lefèvre, Regis; Leflat, Alexander; Lefrançois, Jacques; Leroy, Olivier; Lesiak, Tadeusz; Leverington, Blake; Li, Yiming; Likhomanenko, Tatiana; Liles, Myfanwy; Lindner, Rolf; Linn, Christian; Lionetto, Federica; Liu, Bo; Lohn, Stefan; Longstaff, Iain; Lopes, Jose; Lowdon, Peter; Lucchesi, Donatella; Luo, Haofei; Lupato, Anna; Luppi, Eleonora; Lupton, Oliver; Machefert, Frederic; Maciuc, Florin; Maev, Oleg; Maguire, Kevin; Malde, Sneha; Malinin, Alexander; Manca, Giulia; Mancinelli, Giampiero; Manning, Peter Michael; Mapelli, Alessandro; Maratas, Jan; Marchand, Jean François; Marconi, Umberto; Marin Benito, Carla; Marino, Pietro; Märki, Raphael; Marks, Jörg; Martellotti, Giuseppe; Martinelli, Maurizio; Martinez Santos, Diego; Martinez Vidal, Fernando; Martins Tostes, Danielle; Massafferri, André; Matev, Rosen; Mathad, Abhijit; Mathe, Zoltan; Matteuzzi, Clara; Mauri, Andrea; Maurin, Brice; Mazurov, Alexander; McCann, Michael; McCarthy, James; McNab, Andrew; McNulty, Ronan; Meadows, Brian; Meier, Frank; Meissner, Marco; Merk, Marcel; Milanes, Diego Alejandro; Minard, Marie-Noelle; Mitzel, Dominik Stefan; Molina Rodriguez, Josue; Monteil, Stephane; Morandin, Mauro; Morawski, Piotr; Mordà, Alessandro; Morello, Michael Joseph; Moron, Jakub; Morris, Adam Benjamin; Mountain, Raymond; Muheim, Franz; Müller, Janine; Müller, Katharina; Müller, Vanessa; Mussini, Manuel; Muster, Bastien; Naik, Paras; Nakada, Tatsuya; Nandakumar, Raja; Nasteva, Irina; Needham, Matthew; Neri, Nicola; Neubert, Sebastian; Neufeld, Niko; Neuner, Max; Nguyen, Anh Duc; Nguyen, Thi-Dung; Nguyen-Mau, Chung; Niess, Valentin; Niet, Ramon; Nikitin, Nikolay; Nikodem, Thomas; Ninci, Daniele; Novoselov, Alexey; O'Hanlon, Daniel Patrick; Oblakowska-Mucha, Agnieszka; Obraztsov, Vladimir; Ogilvy, Stephen; Okhrimenko, Oleksandr; Oldeman, Rudolf; Onderwater, Gerco; Osorio Rodrigues, Bruno; Otalora Goicochea, Juan Martin; Otto, Adam; Owen, Patrick; Oyanguren, Maria Aranzazu; Palano, Antimo; Palombo, Fernando; Palutan, Matteo; Panman, Jacob; Papanestis, Antonios; Pappagallo, Marco; Pappalardo, Luciano; Parkes, Christopher; Passaleva, Giovanni; Patel, Girish; Patel, Mitesh; Patrignani, Claudia; Pearce, Alex; Pellegrino, Antonio; Penso, Gianni; Pepe Altarelli, Monica; Perazzini, Stefano; Perret, Pascal; Pescatore, Luca; Petridis, Konstantinos; Petrolini, Alessandro; Petruzzo, Marco; Picatoste Olloqui, Eduardo; Pietrzyk, Boleslaw; Pilař, Tomas; Pinci, Davide; Pistone, Alessandro; Playfer, Stephen; Plo Casasus, Maximo; Poikela, Tuomas; Polci, Francesco; Poluektov, Anton; Polyakov, Ivan; Polycarpo, Erica; Popov, Alexander; Popov, Dmitry; Popovici, Bogdan; Potterat, Cédric; Price, Eugenia; Price, Joseph David; Prisciandaro, Jessica; Pritchard, Adrian; Prouve, Claire; Pugatch, Valery; Puig Navarro, Albert; Punzi, Giovanni; Qian, Wenbin; Quagliani, Renato; Rachwal, Bartolomiej; Rademacker, Jonas; Rakotomiaramanana, Barinjaka; Rama, Matteo; Rangel, Murilo; Raniuk, Iurii; Rauschmayr, Nathalie; Raven, Gerhard; Redi, Federico; Reichert, Stefanie; Reid, Matthew; dos Reis, Alberto; Ricciardi, Stefania; Richards, Sophie; Rihl, Mariana; Rinnert, Kurt; Rives Molina, Vincente; Robbe, Patrick; Rodrigues, Ana Barbara; Rodrigues, Eduardo; Rodriguez Lopez, Jairo Alexis; Rodriguez Perez, Pablo; Roiser, Stefan; Romanovsky, Vladimir; Romero Vidal, Antonio; Rotondo, Marcello; Rouvinet, Julien; Ruf, Thomas; Ruiz, Hugo; Ruiz Valls, Pablo; Saborido Silva, Juan Jose; Sagidova, Naylya; Sail, Paul; Saitta, Biagio; Salustino Guimaraes, Valdir; Sanchez Mayordomo, Carlos; Sanmartin Sedes, Brais; Santacesaria, Roberta; Santamarina Rios, Cibran; Santimaria, Marco; Santovetti, Emanuele; Sarti, Alessio; Satriano, Celestina; Satta, Alessia; Saunders, Daniel Martin; Savrina, Darya; Schiller, Manuel; Schindler, Heinrich; Schlupp, Maximilian; Schmelling, Michael; Schmelzer, Timon; Schmidt, Burkhard; Schneider, Olivier; Schopper, Andreas; Schune, Marie Helene; Schwemmer, Rainer; Sciascia, Barbara; Sciubba, Adalberto; Semennikov, Alexander; Sepp, Indrek; Serra, Nicola; Serrano, Justine; Sestini, Lorenzo; Seyfert, Paul; Shapkin, Mikhail; Shapoval, Illya; Shcheglov, Yury; Shears, Tara; Shekhtman, Lev; Shevchenko, Vladimir; Shires, Alexander; Silva Coutinho, Rafael; Simi, Gabriele; Sirendi, Marek; Skidmore, Nicola; Skillicorn, Ian; Skwarnicki, Tomasz; Smith, Edmund; Smith, Eluned; Smith, Jackson; Smith, Mark; Snoek, Hella; Sokoloff, Michael; Soler, Paul; Soomro, Fatima; Souza, Daniel; Souza De Paula, Bruno; Spaan, Bernhard; Spradlin, Patrick; Sridharan, Srikanth; Stagni, Federico; Stahl, Marian; Stahl, Sascha; Steinkamp, Olaf; Stenyakin, Oleg; Sterpka, Christopher Francis; Stevenson, Scott; Stoica, Sabin; Stone, Sheldon; Storaci, Barbara; Stracka, Simone; Straticiuc, Mihai; Straumann, Ulrich; Stroili, Roberto; Sun, Liang; Sutcliffe, William; Swientek, Krzysztof; Swientek, Stefan; Syropoulos, Vasileios; Szczekowski, Marek; Szczypka, Paul; Szumlak, Tomasz; T'Jampens, Stephane; Tekampe, Tobias; Teklishyn, Maksym; Tellarini, Giulia; Teubert, Frederic; Thomas, Christopher; Thomas, Eric; van Tilburg, Jeroen; Tisserand, Vincent; Tobin, Mark; Todd, Jacob; Tolk, Siim; Tomassetti, Luca; Tonelli, Diego; Topp-Joergensen, Stig; Torr, Nicholas; Tournefier, Edwige; Tourneur, Stephane; Trabelsi, Karim; Tran, Minh Tâm; Tresch, Marco; Trisovic, Ana; Tsaregorodtsev, Andrei; Tsopelas, Panagiotis; Tuning, Niels; Ukleja, Artur; Ustyuzhanin, Andrey; Uwer, Ulrich; Vacca, Claudia; Vagnoni, Vincenzo; Valenti, Giovanni; Vallier, Alexis; Vazquez Gomez, Ricardo; Vazquez Regueiro, Pablo; Vázquez Sierra, Carlos; Vecchi, Stefania; Velthuis, Jaap; Veltri, Michele; Veneziano, Giovanni; Vesterinen, Mika; Viaud, Benoit; Vieira, Daniel; Vieites Diaz, Maria; Vilasis-Cardona, Xavier; Vollhardt, Achim; Volyanskyy, Dmytro; Voong, David; Vorobyev, Alexey; Vorobyev, Vitaly; Voß, Christian; de Vries, Jacco; Waldi, Roland; Wallace, Charlotte; Wallace, Ronan; Walsh, John; Wandernoth, Sebastian; Wang, Jianchun; Ward, David; Watson, Nigel; Websdale, David; Weiden, Andreas; Whitehead, Mark; Wiedner, Dirk; Wilkinson, Guy; Wilkinson, Michael; Williams, Mark Richard James; Williams, Matthew; Williams, Mike; Wilson, Fergus; Wimberley, Jack; Wishahi, Julian; Wislicki, Wojciech; Witek, Mariusz; Wormser, Guy; Wotton, Stephen; Wright, Simon; Wyllie, Kenneth; Xie, Yuehong; Xu, Zhirui; Yang, Zhenwei; Yuan, Xuhao; Yushchenko, Oleg; Zangoli, Maria; Zavertyaev, Mikhail; Zhang, Liming; Zhang, Yanxi; Zhelezov, Alexey; Zhokhov, Anatoly; Zhong, Liang

    2015-01-01

    Angular correlations in $B^+\\to X(3872) K^+$ decays, with $X(3872)\\to \\rho^0 J/\\psi$, $\\rho^0\\to\\pi^+\\pi^-$ and $J/\\psi \\to\\mu^+\\mu^-$, are used to measure orbital angular momentum contributions and to determine the $J^{PC}$ value of the $X(3872)$ meson. The data correspond to an integrated luminosity of 3.0 fb$^{-1}$ of proton-proton collisions collected with the LHCb detector. This determination, for the first time performed without assuming a value for the orbital angular momentum, confirms the quantum numbers to be $J^{PC}=1^{++}$. The $X(3872)$ is found to decay predominantly through S wave and an upper limit of $4\\%$ at $95\\%$ C.L. is set on the fraction of D wave.

  6. Acceleration of the reaction OH + CO → H + CO2 by vibrational excitation of OH.

    Science.gov (United States)

    Kohno, Nanase; Izumi, Mari; Kohguchi, Hiroshi; Yamasaki, Katsuyoshi

    2011-05-19

    The collision complex formed from a vibrationally excited reactant undergoes redissociation to the reactant, intramolecular vibrational relaxation (randomization of vibrational energy), or chemical reaction to the products. If attractive interaction between the reactants is large, efficient vibrational relaxation in the complex prevents redissociation to the reactants with the initial vibrational energy, and the complex decomposes to the reactants with low vibrational energy or converts to the products. In this paper, we have studied the branching ratios between the intramolecular vibrational relaxation and chemical reaction of an adduct HO(v)-CO formed from OH(X(2)Π(i)) in different vibrational levels v = 0-4 and CO. OH(v = 0-4) generated in a gaseous mixture of O(3)/H(2)/CO/He irradiated at 266 nm was detected with laser-induced fluorescence (LIF) via the A(2)Σ(+)-X(2)Π(i) transition, and H atoms were probed by the two-photon excited LIF technique. From the kinetic analysis of the time-resolved LIF intensities of OH(v) and H, we have found that the intramolecular vibrational relaxation is mainly governed by a single quantum change, HO(v)-CO → HO(v-1)-CO, followed by redissociation to OH(v-1) and CO. With the vibrational quantum number v, chemical process from the adduct to H + CO(2) is accelerated, and vibrational relaxation is decelerated. The countertrend is elucidated by the competition between chemical reaction and vibrational relaxation in the adduct HOCO.

  7. Quantum Cluster Equilibrium Theory Applied in Hydrogen Bond Number Studies of Water. 1. Assessment of the Quantum Cluster Equilibrium Model for Liquid Water.

    Science.gov (United States)

    Lehmann, S B C; Spickermann, C; Kirchner, B

    2009-06-09

    Different cluster sets containing only 2-fold coordinated water, 2- and 3-fold coordinated water, and 2-fold, 3-fold, and tetrahedrally coordinated water molecules were investigated by applying second-order Møller-Plesset perturbation theory and density functional theory based on generalized gradient approximation functionals in the framework of the quantum cluster equilibrium theory. We found an improvement of the calculated isobars at low temperatures if tetrahedrally coordinated water molecules were included in the set of 2-fold hydrogen-bonded clusters. This was also reflected in a reduced parameter for the intercluster interaction. If all parameters were kept constant and only the electronic structure methods were varied, large basis set dependencies in the liquid state for the density functional theory results were found. The behavior of the intercluster parameter was also examined for the case that cooperative effects were neglected. The values were 3 times as large as in the calculations including the total electronic structure. Furthermore, these effects are more severe in the tetrahedrally coordinated clusters. Different populations were considered, one weighted by the total number of clusters and one depending on the monomers.

  8. Possible conservation of the K-quantum number in excited rotating nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Bracco, A.; Bosetti, P.; Leoni, S. [Universita di Milano (Italy)]|[INFN, Milano (Italy)] [and others

    1996-12-31

    The {gamma}-cascades feeding into low-K and high-K bands in the nucleus {sup 163}Er are investigated by analyzing variances and covariances of the spectrum fluctuations. The study of the covariance between pairs of gated spectra reveals that the cascades feeding into the low-K bands are completely different from those feeding the high-K bands. In addition, the number of decay paths obtained analyzing the ridge and the valley in spectra gated by high-K transitions is different than that deduced from the total spectrum. This result is well reproduced with microscopic calculations of strongly interacting bands. It is concluded that the K-selection rules are effective for the excited rotational bands within the angular momentum region probed by the experiment, 30{Dirac_h} {le} I {le} 40{Dirac_h}.

  9. Characterization of the B-Center Defect in Diamond through the Vibrational Spectrum: A Quantum-Mechanical Approach.

    Science.gov (United States)

    Salustro, Simone; Ferrari, Anna Maria; Gentile, Francesco Silvio; Desmarais, Jacques Kontak; Rérat, Michel; Dovesi, Roberto

    2018-01-05

    The B-center in diamond, which consists of a vacancy whose four first nearest-neighbors are nitrogen atoms, has been investigated at the quantum-mechanical level with an all-electron Gaussian-type basis set, hybrid functionals, and the periodic supercell approach. To simulate various defect concentrations, four cubic supercells have been considered, containing (before the creation of the vacancy) 64, 216, 512, and 1000 atoms, respectively. Whereas the B-center does not affect the Raman spectrum of diamond, several intense peaks appear in the IR spectrum, which should permit us to identify this defect. It turns out that of the seven peaks proposed by Sutherland in 1954, located at 328, 780, 1003, 1171, 1332, 1372, and 1426 cm-1, and frequently mentioned as fingerprints of the B center, the first one and the last three do not appear in the simulated spectrum at any concentration. The graphical animation of the modes confirms the attribution of the remaining three and also permits investigation of the nature of the full set of modes.

  10. Numerical investigation of the vortex-induced vibration of an elastically mounted circular cylinder at high Reynolds number (Re = 104 and low mass ratio using the RANS code.

    Directory of Open Access Journals (Sweden)

    Niaz Bahadur Khan

    Full Text Available This study numerically investigates the vortex-induced vibration (VIV of an elastically mounted rigid cylinder by using Reynolds-averaged Navier-Stokes (RANS equations with computational fluid dynamic (CFD tools. CFD analysis is performed for a fixed-cylinder case with Reynolds number (Re = 104 and for a cylinder that is free to oscillate in the transverse direction and possesses a low mass-damping ratio and Re = 104. Previously, similar studies have been performed with 3-dimensional and comparatively expensive turbulent models. In the current study, the capability and accuracy of the RANS model are validated, and the results of this model are compared with those of detached eddy simulation, direct numerical simulation, and large eddy simulation models. All three response branches and the maximum amplitude are well captured. The 2-dimensional case with the RANS shear-stress transport k-w model, which involves minimal computational cost, is reliable and appropriate for analyzing the characteristics of VIV.

  11. A mixed quantum-classical molecular dynamics study of anti-tetrol and syn-tetrol dissolved in liquid chloroform II: infrared emission spectra, vibrational excited-state lifetimes, and nonequilibrium hydrogen-bond dynamics.

    Science.gov (United States)

    Kwac, Kijeong; Geva, Eitan

    2013-11-21

    The effect of vibrational excitation and relaxation of the hydroxyl stretch on the hydrogen-bond structure and dynamics of stereoselectively synthesized syn-tetrol and anti-tetrol dissolved in deuterated chloroform are investigated via a mixed quantum-classical molecular dynamics simulation. Emphasis is placed on the changes in hydrogen-bond structure upon photoexcitation and the nonequilibrium hydrogen-bond dynamics that follows the subsequent relaxation from the excited to the ground vibrational state. The propensity to form hydrogen bonds is shown to increase upon photoexcitation of the hydroxyl stretch, thereby leading to a sizable red-shift of the infrared emission spectra relative to the corresponding absorption spectra. The vibrational excited state lifetimes are calculated within the framework of Fermi's golden rule and the harmonic-Schofield quantum correction factor, and found to be sensitive reporters of the underlying hydrogen-bond structure. The energy released during the relaxation from the excited to the ground state is shown to break hydrogen bonds involving the relaxing hydroxyl. The spectral signature of this nonequilibrium relaxation process is analyzed in detail.

  12. Dissociative ionization of liquid water induced by vibrational overtone excitation

    Energy Technology Data Exchange (ETDEWEB)

    Natzle, W.C.

    1983-03-01

    Photochemistry of vibrationally activated ground electronic state liquid water to produce H/sup +/ and OH/sup -/ ions has been initiated by pulsed, single-photon excitation of overtone and combination transitions. Transient conductivity measurements were used to determine quantum yields as a function of photon energy, isotopic composition, and temperature. The equilibrium relaxation rate following perturbation by the vibrationally activated reaction was also measured as a function of temperature reaction and isotopic composition. In H/sub 2/O, the quantum yield at 283 +- 1 K varies from 2 x 10/sup -9/ to 4 x 10/sup -5/ for wave numbers between 7605 and 18140 cm/sup -1/. In D/sub 2/O, the dependence of quantum yield on wavelength has the same qualitative shape as for H/sub 2/O, but is shifted to lower quantum yields. The position of a minimum in the quantum yield versus hydrogen mole fraction curve is consistent with a lower quantum yield for excitation of HOD in D/sub 2/O than for excitation of D/sub 2/O. The ionic recombination distance of 5.8 +- 0.5 A is constant within experimental error with temperature in H/sub 2/O and with isotopic composition at 25 +- 1/sup 0/C.

  13. Identical gamma-vibrational bands in {sup 165}Ho

    Energy Technology Data Exchange (ETDEWEB)

    Radford, D.C.; Galindo-Uribarri, A.; Janzen, V.P. [Chalk River Labs., Ontario (Canada)] [and others

    1996-12-31

    The structure of {sup 165}Ho at moderate spins has been investigated by means of Coulomb excitation. Two {gamma}-vibrational bands (K{sup {pi}} = 11/2{sup {minus}} and K{sup {pi}} = 3/2{sup {minus}}) are observed, with very nearly identical in-band {gamma}-ray energies. Gamma-ray branching ratios are analyzed to extract information on Coriolis mixing, and the role of the K quantum number in identical bands is discussed.

  14. Effects of temperature on the ground state of a strongly-coupling magnetic polaron and mean phonon number in RbCl quantum pseudodot

    Science.gov (United States)

    Sun, Yong; Ding, Zhao-Hua; Xiao, Jing-Lin

    2016-07-01

    On the condition of strong electron-LO phonon coupling in a RbCl quantum pseudodot (QPD), the ground state energy and the mean number of phonons are calculated by using the Pekar variational method and quantum statistical theory. The variations of the ground state energy and the mean number with respect to the temperature and the cyclotron frequency of the magnetic field are studied in detail. We find that the absolute value of the ground state energy increases (decreases) with increasing temperature when the temperature is in the lower (higher) temperature region, and that the mean number increases with increasing temperature. The absolute value of the ground state energy is a decreasing function of the cyclotron frequency of the magnetic field whereas the mean number is an increasing function of it. We find two ways to tune the ground state energy and the mean number: controlling the temperature and controlling the cyclotron frequency of the magnetic field.

  15. Quantum Metric of Classic Physics

    Science.gov (United States)

    Machusky, Eugene

    2017-09-01

    By methods of differential geometry and number theory the following has been established: All fundamental physical constants are the medians of quasi-harmonic functions of relative space and relative time. Basic quantum units are, in fact, the gradients of normal distribution of standing waves between the points of pulsating spherical spiral, which are determined only by functional bonds of transcendental numbers PI and E. Analytically obtained values of rotational speed, translational velocity, vibrational speed, background temperature and molar mass give the possibility to evaluate all basic quantum units with practically unlimited accuracy. Metric of quantum physics really is two-dimensional image of motion of waves in three-dimensional space. Standard physical model is correct, but SI metric system is insufficiently exact at submillimeter distances.

  16. Quantum transduction with mechanical oscillators

    Science.gov (United States)

    Lehnert, Konrad

    In modern information technology, micromechanical oscillators are ubiquitous signal processing elements. Because the speed of sound is so slow compared to the speed of light, mechanical structures create superb compact filters and clocks. Moreover they convert force and acceleration signals into more easily processed electrical signals. Although these humble devices appear manifestly classical, they can exhibit quantum behavior when their vibrations are strongly coupled to optical light or to microwave electricity. I will describe our progress in using this recent result to develop quantum information processing elements. First, we are developing a device that uses a mechanical oscillator to transfer information noiselessly between electrical and optical domains. Second, we prepare propagating microwave fields in superpositions of 0 and 1 photon, and use an electromechanical device to store and amplify these fragile quantum bits. Work supported by AFOSR MURI:FA9550-15-1-0015, NSF under Grant Number 1125844, and the Gordon and Betty Moore Foundation.

  17. Quantum reaction dynamics study of vibrational excitation effects on the Cl + CHD3/CD4 → HCl/DCl + CD3 reactions

    Science.gov (United States)

    Yan, Wei; Wang, Dunyou

    2014-05-01

    Energy efficiency in surmounting the reaction energy barrier and vibrational enhancement on reactivity of the Cl + CHD3/CD4 → HCl/DCl + CD3 reactions have been studied using the reduced dimensional, time-dependent wavepacket method in six degrees of freedom. All the vibrational excitations of CHD3/CD4 enhance the reactivity and the C-H/C-D stretching motions have the biggest impact on the reactivity. Both reactions’ vibrational energies raise the reactivity more effectively than the translational energies except at very low collision energies. In other words, except at very low collision energies, the Polanyi rules hold for these two late-barrier polyatomic reactions.

  18. FT-Raman, FT-IR, UV spectroscopic, NBO and DFT quantum chemical study on the molecular structure, vibrational and electronic transitions of clopidogrel hydrogen sulfate form 1: A comparison to form 2

    Science.gov (United States)

    Srivastava, Anubha; Mishra, Rashmi; Tandon, Poonam; Bansal, A. K.

    2013-03-01

    Clopidogrel hydrogen sulfate (+)-(S)-(2-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-acetate sulfate (1:1), is a selective adenosine diphosphate (ADP) receptor antagonist often used in the treatment of coronary artery, peripheral vascular and cerebrovascular diseases. In the present communication, a comparative study of two polymorphic forms (forms 1 and 2) of clopidogrel hydrogen sulfate (CLP) has been reported. There is difference in conformation and intermolecular hydrogen bonding pattern of two forms. These differences are nicely reflected in the vibrational spectra. The molecular structure, fundamental vibrational frequencies and intensity of the vibrational bands of CLP form 1 are interpreted with the aid of structure optimizations and normal mode analysis based on ab initio HF and DFT method employing 6-311++G(d,p) basis. Polymorphism in CLP have been studied using various characterization tools like FT-Raman, FT-IR spectroscopy and DSC in combination with the quantum chemical calculations. UV-vis spectroscopic studies along with HOMO-LUMO analysis of both polymorphs were performed. The solvent effect calculated by TD-DFT/IEF-PCM/6-31G model results complements with the experimental findings. Stability of the molecule arising from hyper conjugative interactions and charge delocalization has been analyzed using natural bond orbital (NBO) analysis.

  19. A quantum-rovibrational-state-selected study of the reaction in the collision energy range of 0.05-10.00 eV: translational, rotational, and vibrational energy effects.

    Science.gov (United States)

    Xu, Yuntao; Xiong, Bo; Chang, Yih-Chung; Pan, Yi; Lo, Po Kam; Lau, Kai Chung; Ng, C Y

    2017-04-12

    We report detailed absolute integral cross sections (σ's) for the quantum-rovibrational-state-selected ion-molecule reaction in the center-of-mass collision energy (Ecm) range of 0.05-10.00 eV, where (vvv) = (000), (100), and (020), and . Three product channels, HCO+ + OH, HOCO+ + H, and CO+ + H2O, are identified. The measured σ(HCO+) curve [σ(HCO+) versus Ecm plot] supports the hypothesis that the formation of the HCO+ + OH channel follows an exothermic pathway with no potential energy barriers. Although the HOCO+ + H channel is the most exothermic, the σ(HOCO+) is found to be significantly lower than the σ(HCO+). The σ(HOCO+) curve is bimodal, indicating two distinct mechanisms for the formation of HOCO+. The σ(HOCO+) is strongly inhibited at Ecm 0.4 eV by (100) vibrational excitation. The Ecm onsets of σ(CO+) determined for the (000) and (100) vibrational states are in excellent agreement with the known thermochemical thresholds. This observation, along with the comparison of the σ(CO+) curves for the (100) and (000) states, shows that kinetic and vibrational energies are equally effective in promoting the CO+ channel. We have also performed high-level ab initio quantum calculations on the potential energy surface, intermediates, and transition state structures for the titled reaction. The calculations reveal potential barriers of ≈0.5-0.6 eV for the formation of HOCO+, and thus account for the low σ(HOCO+) and its bimodal profile observed. The Ecm enhancement for σ(HOCO+) at Ecm ≈ 0.5-5.0 eV can be attributed to the direct collision mechanism, whereas the formation of HOCO+ at low Ecm < 0.4 eV may involve a complex mechanism, which is mediated by the formation of a loosely sticking complex between HCO+ and OH. The direct collision and complex mechanisms proposed also allow the rationalization of the vibrational inhibition at low Ecm and the vibrational enhancement at high Ecm observed for the σ(HOCO+).

  20. Quantum random number generator based on ‘Fermi–Dirac’ statistics of photocounts of faint laser pulses with a 75 Mbit s‑1 rate

    Science.gov (United States)

    Balygin, K. A.; Zaitsev, V. I.; Klimov, A. N.; Kulik, S. P.; Molotkov, S. N.; Popova, E.; Vinogradov, S.

    2017-12-01

    We implemented experimentally a quantum random number generator, based on the registration of quasi-single-photon light by a silicon photo-multiplier, which allows one to reliably achieve the Poisson statistics of photocounts. The use of the optimal grouping of photocounts and a polynomial-length sequence of the method for extracting the random sequence 0 and 1 made it possible to achieve the output rate of a provably random sequence up to 75 Mbit s-1 .

  1. Study of the vibrational characteristics of the homonuclear diatomic nuclear schrödinger equation with a numerov method using a number of empirical potential functions

    Science.gov (United States)

    Heidari, Alireza; Anwar Bég, O.; Ghorbani, Mohammadali

    2013-02-01

    Many empirical potential energy functions have been modeled to represent the potential energy function of a diatomic molecule along whole range of internuclear distance coordinate, whereby one can determine certain molecular constants. Here we employ various potential functions such as Morse, Rydberg, Varshni(II), Varshni(III), Varshni(VI), Pöschl-Teller, Hulburt-Hirschfelder, Lippincott, Frost-Musulin, Linnet, and Rosen-Morse, and the Numerov method to solve the nuclear Schrödinger equation for F2, as an example of a homonuclear diatomic molecule. Herewith, the vibrational and vibration-rotation energy levels are obtained and excellent accuracy is achieved. The potential of employing the Numerov method in engineering physics computations is emphasized.

  2. Orbital-exchange and fractional quantum number excitations in an f-electron metal, Yb2Pt2Pb

    NARCIS (Netherlands)

    Wu, L.S.; Gannon, W.J.; Zaliznyak, I.A.; Tsvelik, A.M.; Brockmann, M.; Caux, J.-S.; Kim, M.S.; Qiu, Y.; Copley, J.R.D.; Ehlers, G.; Podlesnyak, A.; Aronson, M.C.

    2016-01-01

    Exotic quantum states and fractionalized magnetic excitations, such as spinons in one-dimensional chains, are generally expected to occur in 3d transition metal systems with spin 1/2. Our neutron-scattering experiments on the 4f-electron metal Yb2Pt 2 Pb overturn this conventional wisdom. We observe

  3. Vibrational Sensing in Marine Invertebrates

    Science.gov (United States)

    1997-09-30

    VIBRATIONAL SENSING IN MARINE INVERTEBRATES Peter A. Jumars School of Oceanography University of Washington Box 357940 Seattle, WA 98195-7940 (206...DATES COVERED 00-00-1997 to 00-00-1997 4. TITLE AND SUBTITLE Vibrational Sensing in Marine Invertebrates 5a. CONTRACT NUMBER 5b. GRANT NUMBER

  4. Quantum Photonics Beyond Conventional Computing

    Science.gov (United States)

    2015-07-10

    device can perform quantum simulations of the evolution of vibrational wave-packets in molecules , suggesting that such an approach could yield the...perform quantum simulations of the evolution of vibrational wave-packets in molecules , an application pointing the way towards the first physically...spatial degrees of freedom (e.g. polarisation, frequency). If the photons are distinguishable from each other, no quantum interference takes place

  5. Molecular structure and vibrational spectroscopic analysis of an antiplatelet drug; clopidogrel hydrogen sulphate (form 2) - A combined experimental and quantum chemical approach

    Science.gov (United States)

    Srivastava, Anubha; Mishra, Soni; Tandon, Poonam; Patel, Sarasvatkumar; Ayala, A. P.; Bansal, A. K.; Siesler, H. W.

    2010-02-01

    Clopidogrel hydrogen sulphate which belongs to a class of medicine called antiplatelet drugs. Chemically it is methyl (+)-(S)-α-(2-chlorophenyl)-4,5,6,7-tetrahydrothieno [3,2- c] pyridine-5-acetate hydrogen sulphate having the empirical formula C 16H 17ClNO 2S.HSO 4 and molecular mass 321.82 g/mol. The present study is confined to vibrational spectroscopy of the polymorph identified as form 2 of the clopidogrel hydrogen sulphate. The vibrational analysis of clopidogrel hydrogen sulphate salt (form 2) considering separately the two counterions has been performed. We also report a theoretical and experimental study of the molecular conformation and vibrational dynamics of the independent moieties of the clopidogrel hydrogen sulphate salt. The equilibrium geometry, harmonic vibrational frequencies, infrared intensities and activities of Raman scattering were calculated by ab initio Hartree-Fock and density functional theory employing B3LYP with complete relaxation in the potential energy surface using 6-311++G(d,p) basis set. The calculated wavenumbers after a proper scaling show a very good agreement with the observed values. A complete vibrational assignment is provided for the observed Raman and infrared spectra of clopidogrel hydrogen sulphate form 2.

  6. MULTIMODE quantum calculations of intramolecular vibrational energies of the water dimer and trimer using ab initio-based potential energy surfaces

    Science.gov (United States)

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

    2008-02-01

    We report vibrational configuration interaction calculations of the monomer fundamentals of (H2O)2, (D2O)2, (H2O)3, and (D2O)3 using the code MULTIMODE and full dimensional ab initio-based global potential energies surfaces (PESs). For the dimer the HBB PES [Huang et al., J. Chem. Phys 128, 034312 (2008)] is used and for the trimer a new PES, reported here, is used. The salient properties of the new trimer PES are presented and compared to previous single-point calculations and the vibrational energies are compared with experiments.

  7. Modeling of HeN+ clusters. II. Calculation of He3+ vibrational spectrum

    Science.gov (United States)

    Karlický, František; Lepetit, Bruno; Kalus, René; Paidarová, Ivana; Gadéa, Florent Xavier

    2008-03-01

    We have computed the vibrational spectrum of the helium ionized trimer He3+ using three different potential energy surfaces [D. T. Chang and G. L. Gellene, J. Chem. Phys. 119, 4694 (2003); E. Scifoni et al., ibid. 125, 164304 (2006); I. Paidarová et al., Chem. Phys. 342, 64 (2007)]. Differences in the details of these potential energy surfaces induce discrepancies between bound state energies of the order of 0.01eV. The effects of the geometric phase induced by the conical intersection between the ground electronic potential energy surface and the first excited one are studied by computing vibrational spectra with and without this phase. The six lowest vibrational bound states are negligibly affected by the geometric phase. Indeed, they correspond to wavefunctions localized in the vicinity of the linear symmetric configurations and can be assigned well defined vibrational quantum numbers. On the other hand, higher excited states are delocalized, cannot be assigned definite vibrational quantum numbers, and the geometric phase shifts their energies by approximately 0.005eV.

  8. The Effect of the number of InGaN/GaN pairs on the photoelectrochemical properties of InGaN/GaN multi quantum wells

    Energy Technology Data Exchange (ETDEWEB)

    Bae, Hyojung; Park, Jun-Beom [Optoelectronics Convergence Research Center, Chonnam National University, 77 Yongbong-ro, Buk-gu, Gwangju 61186 (Korea, Republic of); Fujii, Katsushi [Institute of Environmental Science and Technology, The University of Kitakyushu, Kitakyushu, Fukuoka (Japan); Lee, Hyo-Jong [Materials Science and Engineering, Dong-A University, Busan 49315 (Korea, Republic of); Lee, Sang-Hyun [Institute of Advanced Composite Materials, Korea Institute of Science and Technology, Joellabuk-do 55324 (Korea, Republic of); Ryu, Sang-Wan; Lee, June Key [Optoelectronics Convergence Research Center, Chonnam National University, 77 Yongbong-ro, Buk-gu, Gwangju 61186 (Korea, Republic of); Ha, Jun-Seok, E-mail: jsha@jnu.ac.kr [Optoelectronics Convergence Research Center, Chonnam National University, 77 Yongbong-ro, Buk-gu, Gwangju 61186 (Korea, Republic of)

    2017-04-15

    Highlights: • The 1–5 period InGaN/GaN quantum well (QW) structures were grown on sapphire. • The photoelectrochemical properties of these structures were investigated. • The saturated photocurrent density increased with increasing number of QW pairs. • But, it was different in the stability of the photoanode. • We reported the reason for this difference. - Abstract: In this study, the effects of the number of quantum well (QW) pairs on the photoelectrochemical (PEC) properties of InGaN/GaN multi-QW structures (MQWs) were investigated. MQW samples were grown using metal-organic chemical vapor deposition, and their structural characteristics were confirmed by X-ray diffraction measurements. The photoluminescence measurements revealed that the optical properties of MQWs may be related to the PEC properties. The cyclic voltammetry data revealed that the saturated photocurrent density increased with increasing number of QW pairs; the photocurrent density of MQW5 was twice that of an nGaN reference. However, in the chronoamperometry measurement of the photoanode stability, MQWs with 3 QWs displayed the highest photocurrent stability, although the saturated photocurrent density was highest for MQW5. This was also confirmed by field-emission scanning electron microscopy of the surface morphology after PEC measurements. The stability and photocurrent density may be attributed to the quality of crystallinity of the MQWs.

  9. Monitoring vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Tiryaki, B. [Hacettepe University (Turkey). Dept. of Mining Engineering

    2003-12-01

    The paper examines the prediction and optimisation of machine vibrations in longwall shearers. Underground studies were carried out at the Middle Anatolian Lignite Mine, between 1993 and 1997. Several shearer drums with different pick lacing arrangements were designed and tested on double-ended ranging longwall shearers employed at the mine. A computer program called the Vibration Analysis Program (VAP) was developed for analysing machine vibrations in longwall shearers. Shearer drums that were tested underground, as well as some provided by leading manufacturers, were analyzed using these programs. The results of the experiments and computer analyses are given in the article. 4 refs., 9 figs.

  10. Large electron transfer rate effects from the Duschinsky mixing of vibrations

    DEFF Research Database (Denmark)

    Sando, Gerald M.; Spears, Kenneth G; Hupp, Joseph T

    2001-01-01

    vibrations are very important. The Duschinsky effect arises when two electronic states have vibrational normal mode coordinate systems that are rotated and translated relative to each other. We use a conventional quantum rate model for ET, and the examples include 6-8 vibrations, where two vibrational modes...

  11. Random vibrations theory and practice

    CERN Document Server

    Wirsching, Paul H; Ortiz, Keith

    1995-01-01

    Random Vibrations: Theory and Practice covers the theory and analysis of mechanical and structural systems undergoing random oscillations due to any number of phenomena— from engine noise, turbulent flow, and acoustic noise to wind, ocean waves, earthquakes, and rough pavement. For systems operating in such environments, a random vibration analysis is essential to the safety and reliability of the system. By far the most comprehensive text available on random vibrations, Random Vibrations: Theory and Practice is designed for readers who are new to the subject as well as those who are familiar with the fundamentals and wish to study a particular topic or use the text as an authoritative reference. It is divided into three major sections: fundamental background, random vibration development and applications to design, and random signal analysis. Introductory chapters cover topics in probability, statistics, and random processes that prepare the reader for the development of the theory of random vibrations a...

  12. Vibrational Diver

    Science.gov (United States)

    Kozlov, Victor; Ivanova, Alevtina; Schipitsyn, Vitalii; Stambouli, Moncef

    2014-10-01

    The paper is concerned with dynamics of light solid in cavity with liquid subjected to rotational vibration in the external force field. New vibrational phenomenon - diving of a light cylinder to the cavity bottom is found. The experimental investigation of a horizontal annulus with a partition has shown that under vibration a light body situated in the upper part of the layer is displaced in a threshold manner some distance away from the boundary. In this case the body executes symmetric tangential oscillations. An increase of the vibration intensity leads to a tangential displacement of the body near the external boundary. This displacement is caused by the tangential component of the vibrational lift force, which appears as soon as the oscillations lose symmetry. In this case the trajectory of the body oscillatory motion has the form of a loop. The tangential lift force makes stable the position of the body on the inclined section of the layer and even in its lower part. A theoretical interpretation has been proposed, which explains stabilization of a quasi-equilibrium state of a light body near the cavity bottom in the framework of vibrational hydromechanics.

  13. Zero-point energy, tunnelling, and vibrational adiabaticity in the Mu + H2 reaction

    Science.gov (United States)

    Mielke, Steven L.; Garrett, Bruce C.; Fleming, Donald G.; Truhlar, Donald G.

    2015-01-01

    Isotopic substitution of muonium for hydrogen provides an unparalleled opportunity to deepen our understanding of quantum mass effects on chemical reactions. A recent topical review in this journal of the thermal and vibrationally state-selected reaction of Mu with H2 raises a number of issues that are addressed here. We show that some earlier quantum mechanical calculations of the Mu + H2 reaction, which are highlighted in this review, and which have been used to benchmark approximate methods, are in error by as much as 19% in the low-temperature limit. We demonstrate that an approximate treatment of the Born-Oppenheimer diagonal correction that was used in some recent studies is not valid for treating the vibrationally state-selected reaction. We also discuss why vibrationally adiabatic potentials that neglect bend zero-point energy are not a useful analytical tool for understanding reaction rates, and why vibrationally non-adiabatic transitions cannot be understood by considering tunnelling through vibrationally adiabatic potentials. Finally, we present calculations on a hierarchical family of potential energy surfaces to assess the sensitivity of rate constants to the quality of the potential surface.

  14. The quantum measurement effect of interaction without interaction for an atomic beam

    Science.gov (United States)

    Huang, Yong-Yi

    When an atomic beam collectively and harmonically vibrates perpendicular to the wave vector of the beam, the number of atoms reaching the atomic detector will have a vibrant factor Δt / T if the measurement time interval Δt is shorter than the period T. This new quantum mechanical measurement effect for an atomic beam is called interaction without interaction: though the translational motion of the atomic beam does not interact with its collective and transverse harmonic vibration, the latter will have an effect on the measured number of atoms associated with the former. From the new measurement effect the classical harmonic vibration's period is evaluated. We give a clear physical picture and a satisfactory physical interpretation for the measurement effect based on the Copenhagen interpretation of quantum mechanics. We present an experimental proposal to verify this measurement effect for an ion beam instead of an atomic beam.

  15. Communication: creation of molecular vibrational motions via the rotation-vibration coupling

    DEFF Research Database (Denmark)

    Shu, Chuan-Cun; Henriksen, Niels Engholm

    2015-01-01

    whereas a fast rotational excitation leads to a non-stationary vibrational motion. As a result, under field-free postpulse conditions, either a stretched stationary bond or a vibrating bond can be created due to the coupling between the rotational and vibrational degrees of freedom. The latter corresponds......Building on recent advances in the rotational excitation of molecules, we show how the effect of rotation-vibration coupling can be switched on in a controlled manner and how this coupling unfolds in real time after a pure rotational excitation. We present the first examination of the vibrational...... motions which can be induced via the rotation-vibration coupling after a pulsed rotational excitation. A time-dependent quantum wave packet calculation for the HF molecule shows how a slow (compared to the vibrational period) rotational excitation leads to a smooth increase in the average bond length...

  16. Quantifying Quantumness

    Science.gov (United States)

    Braun, Daniel; Giraud, Olivier; Braun, Peter A.

    2010-03-01

    We introduce and study a measure of ``quantumness'' of a quantum state based on its Hilbert-Schmidt distance from the set of classical states. ``Classical states'' were defined earlier as states for which a positive P-function exists, i.e. they are mixtures of coherent states [1]. We study invariance properties of the measure, upper bounds, and its relation to entanglement measures. We evaluate the quantumness of a number of physically interesting states and show that for any physical system in thermal equilibrium there is a finite critical temperature above which quantumness vanishes. We then use the measure for identifying the ``most quantum'' states. Such states are expected to be potentially most useful for quantum information theoretical applications. We find these states explicitly for low-dimensional spin-systems, and show that they possess beautiful, highly symmetric Majorana representations. [4pt] [1] Classicality of spin states, Olivier Giraud, Petr Braun, and Daniel Braun, Phys. Rev. A 78, 042112 (2008)

  17. Molecular structure, natural bond analysis, vibrational, and electronic spectra of aspartateguanidoacetatenickel(II), [Ni(Asp)(GAA)]·H2O: DFT quantum mechanical calculations

    Science.gov (United States)

    Ramos, J. M.; de M. Cruz, M. T.; Costa, A. C., Jr.; Ondar, G. F.; Ferreira, Glaucio B.; Raniero, L.; Martin, A. A.; Versiane, O.; Téllez Soto, C. A.

    2012-11-01

    The aspartateguanidoacetatenickel (II) complex, [Ni(Asp)(GAA)], was synthesized and structural analysis was performed by means of the experimental methods: determination of the C, H, N and O contents, thermogravimetry, infrared and Raman spectroscopy. DFT:B3LYP/6-311G(d, p) calculations have been performed giving optimized structure and harmonic vibrational wavenumbers. Second derivative of the FT-infrared, FT-Raman and Surface Raman Enhanced Scattering (SERS) spectra, and band deconvolution analysis were also performed. Features of the FT-infrared, FT-Raman and SERS confirmed theoretical structure prediction. Full assignment of the vibrational spectrum was also supported by a carefully analysis of the distorted geometries generated by the normal modes. The Natural Bond Orbital analysis (NBO) was also carried out as a way to study the Ni (II) hybridization leading to the pseudo planar geometry of the framework, and the extension of the atomic N and O hybrid orbital of the different amino acids in the bond formation. Bands of charge transfer and d-d transitions were assigned in the UV-Vis spectrum.

  18. FT-IR, FT-Raman and DFT quantum chemical study on the molecular conformation, vibrational and electronic transitions of 1-(m-(trifluoromethyl)phenyl)piperazine.

    Science.gov (United States)

    Prabavathi, N; Nilufer, A; Krishnakumar, V

    2014-01-01

    The FTIR and FT-Raman spectra of 1-(m-(trifluoromethyl)phenyl)piperazine [TFMPP] have been recorded in the region 4000-400 cm(-1) and 3500-100 cm(-1), respectively. The optimized geometry, frequency and intensity of the vibrational bands of the compound was obtained by the density functional theory using 6-311++G(d,p) basis set. The harmonic vibrational frequencies were calculated and the scaled values have been compared with experimental FTIR and FT-Raman spectra. The observed and the calculated frequencies are found to be in good agreement. A detailed interpretation of the infrared and Raman spectra were also reported based on potential energy distribution (PED). UV-Vis spectrum of the compound was recorded and the electronic properties HOMO and LUMO energies were measured by TD-DFT approach. Furthermore, molecular electrostatic potential is performed and also the calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. Copyright © 2013 Elsevier B.V. All rights reserved.

  19. Quantum chemistry an introduction

    CERN Document Server

    Kauzmann, Walter

    2013-01-01

    Quantum Chemistry: An Introduction provides information pertinent to the fundamental aspects of quantum mechanics. This book presents the theory of partial differentiation equations by using the classical theory of vibrations as a means of developing physical insight into this essential branch of mathematics.Organized into five parts encompassing 16 chapters, this book begins with an overview of how quantum mechanical deductions are made. This text then describes the achievements and limitations of the application of quantum mechanics to chemical problems. Other chapters provide a brief survey

  20. Vibrational and Rotational Energy Relaxation in Liquids

    DEFF Research Database (Denmark)

    Petersen, Jakob

    Vibrational and rotational energy relaxation in liquids are studied by means of computer simulations. As a precursor for studying vibrational energy relaxation of a solute molecule subsequent to the formation of a chemical bond, the validity of the classical Bersohn-Zewail model for describing......, the vibrational energy relaxation of I2 subsequent to photodissociation and recombination in CCl4 is studied using classical Molecular Dynamics simulations. The vibrational relaxation times and the time-dependent I-I pair distribution function are compared to new experimental results, and a qualitative agreement...... the intramolecular dynamics during photodissociation is investigated. The apparent agreement with quantum mechanical calculations is shown to be in contrast to the applicability of the individual approximations used in deriving the model from a quantum mechanical treatment. In the spirit of the Bersohn-Zewail model...

  1. Probing the charged Higgs quantum numbers through the decay H{sup +}{sub {alpha}} {yields} W{sup +}h{sup 0}{sub s}s

    Energy Technology Data Exchange (ETDEWEB)

    Diaz-Cruz, J L [Cuerpo Academico de PartIculas, Campos y Relatividad de la BUAP (Mexico); Felix-Beltran, O [Instituto de Fisica, UNAM, Apdo. Postal 20-364, Mexico 01000 D.F. (Mexico); Hernandez-Sanchez, J [Universidad Autonoma del Estado de Hidalgo, Carretera a Pachuca Tulancingo Km. 4.5, C. U., C.P. 42020, Pachuca Hidalgo (Mexico); Barradas-Guevara, E [Cuerpo Academico de PartIculas, Campos y Relatividad de la BUAP (Mexico)

    2006-05-15

    The vertex H{sup +}{sub {alpha}} {yields} W{sup -}h{sup 0}{sub s}s, involving the gauge boson W{sup {+-}} and the charged (H{sup {+-}}{sub {alpha}}) and neutral Higgs bosons (h{sup 0}{sub s}s), arises within the context of many extensions of the SM, and it can be used to probe the quantum numbers of the Higgs multiplet. After presenting a general discussion for the expected form of this vertex for arbitrary Higgs representations, we discuss its strength for an extended MSSM with one complex triplet. We find that in this model, there are regions of parameters where the decay H{sup +}{sub {alpha}} {yields} W{sup +}h{sup 0}{sub s}s, is kinematically allowed, and reaches Branching Ratios (BR) that may be detectable, thus allowing to test the properties of the Higgs sector.

  2. Molecular structure of the trans and cis isomers of metal-free phthalocyanine studied by gas-phase electron diffraction and high-level quantum chemical calculations: NH tautomerization and calculated vibrational frequencies.

    Science.gov (United States)

    Strenalyuk, Tatyana; Samdal, Svein; Volden, Hans Vidar

    2008-05-29

    The molecular structure of the trans isomer of metal-free phthalocyanine (H2Pc) is determined using the gas electron diffraction (GED) method and high-level quantum chemical calculations. B3LYP calculations employing the basis sets 6-31G**, 6-311++G**, and cc-pVTZ give two tautomeric isomers for the inner H atoms, a trans isomer having D2h symmetry and a cis isomer having C2v symmetry. The trans isomer is calculated to be 41.6 (B3LYP/6-311++G**, zero-point corrected) and 37.3 kJ/mol (B3LYP/cc-pVTZ, not zero-point corrected) more stable than the cis isomer. However, Hartree-Fock (HF) calculations using different basis sets predict that cis is preferred and that trans does not exist as a stable form of the molecule. The equilibrium composition in the gas phase at 471 degrees C (the temperature of the GED experiment) calculated at the B3LYP/6-311++G** level is 99.8% trans and 0.2% cis. This is in very good agreement with the GED data, which indicate that the mole fraction of the cis isomer is close to zero. The transition states for two mechanisms of the NH tautomerization have been characterized. A concerted mechanism where the two H atoms move simultaneously yields a transition state of D2h symmetry and an energy barrier of 95.8 kJ/mol. A two-step mechanism where a trans isomer is converted to a cis isomer, which is converted into another trans isomer, proceeds via two transition states of C(s) symmetry and an energy barrier of 64.2 kJ/mol according to the B3LYP/6-311++G** calculation. The molecular geometry determined from GED is in very good agreement with the geometry obtained from the quantum chemical calculations. Vibrational frequencies, IR, and Raman intensities have been calculated using B3LYP/6-311++G**. These calculations indicate that the molecule is rather flexible with six vibrational frequencies in the range of 20-84 cm(-1) for the trans isomer. The cis isomer might be detected by infrared matrix spectroscopy since the N-H stretching frequencies are

  3. Vibration-rotation energy pattern in acetylene: 13CH12CH up to 6750 cm-1.

    Science.gov (United States)

    Fayt, A; Robert, S; Di Lonardo, G; Fusina, L; Tamassia, F; Herman, M

    2007-03-21

    All known vibration-rotation absorption lines of 13CH12CH accessing levels up to 6750 cm-1 were gathered from the literature. They were fitted simultaneously to J-dependent Hamiltonian matrices exploiting the well known vibrational polyad or cluster block diagonalization, in terms of the pseudo-quantum-numbers Ns=v1+v2+v3 and Nr=5v1+3v2+5v3+v4+v5, and accounting also for l parity and ef symmetry properties. The anharmonic interaction coupling terms known to occur from a pure vibrational fit in this acetylene isotopologue [Robert et al., J. Chem. Phys. 123, 174302 (2005)] were included in the model. A total of 12 703 transitions accessing 158 different (v1v2v3v4v5,l4l5) vibrational states was fitted with a dimensionless standard deviation of 0.99, leading to the determination of 216 vibration-rotation parameters. The experimental data included very weak vibration-rotation transitions accessing 18 previously unreported states, some of them forming Q branches with very irregular patterns.

  4. The quantum structure of anionic hydrogen clusters

    Science.gov (United States)

    Calvo, F.; Yurtsever, E.

    2018-03-01

    A flexible and polarizable interatomic potential has been developed to model hydrogen clusters interacting with one hydrogen anion, (H2)nH-, in a broad range of sizes n = 1-54 and parametrized against coupled cluster quantum chemical calculations. Using path-integral molecular dynamics simulations at 1 K initiated from the putative classical global minima, the equilibrium structures are found to generally rely on icosahedral shells with the hydrogen molecules pointing toward the anion, producing geometric magic numbers at sizes n = 12, 32, and 44 that are in agreement with recent mass spectrometry measurements. The energetic stability of the clusters is also connected with the extent of vibrational delocalization, measured here by the fluctuations among inherent structures hidden in the vibrational wave function. As the clusters grow, the outer molecules become increasingly free to rotate, and strong finite size effects are also found between magic numbers, associated with more prominent vibrational delocalization. The effective icosahedral structure of the 44-molecule cluster is found to originate from quantum nuclear effects as well, the classical structure showing no particular symmetry.

  5. Laboratory spectroscopic study and astronomical detection of vibrationally excited n-propyl cyanide

    Science.gov (United States)

    Müller, Holger S. P.; Walters, Adam; Wehres, Nadine; Belloche, Arnaud; Wilkins, Olivia H.; Liu, Delong; Vicente, Rémi; Garrod, Robin T.; Menten, Karl M.; Lewen, Frank; Schlemmer, Stephan

    2016-11-01

    Context. We performed a spectral line survey called Exploring Molecular Complexity with ALMA (EMoCA) toward Sagittarius B2(N) between 84.1 and 114.4 GHz with the Atacama Large Millimeter/submillimeter Array (ALMA) in its Cycles 0 and 1. We determined line intensities of n-propyl cyanide in the ground vibrational states of its gauche and anti conformers toward the hot molecular core Sagittarius B2(N2) which suggest that we should also be able to detect transitions pertaining to excited vibrational states. Aims: We wanted to determine spectroscopic parameters of low-lying vibrational states of both conformers of n-propyl cyanide to search for them in our ALMA data. Methods: We recorded laboratory rotational spectra of n-propyl cyanide in two spectral windows between 36 and 127 GHz. We searched for emission lines produced by these states in the ALMA spectrum of Sagittarius B2(N2). We modeled their emission and the emission of the ground vibrational states assuming local thermodynamic equilibrium (LTE). Results: We have made extensive assignments of a- and b-type transitions of the four lowest vibrational states of the gauche conformer which reach J and Ka quantum numbers of 65 and 20, respectively. We assigned mostly a-type transitions for the anti conformer with J and Ka quantum numbers up to 48 and 24, respectively. Rotational and Fermi perturbations between two anti states allowed us to determine their energy difference. The resulting spectroscopic parameters enabled us to identify transitions of all four vibrational states of each conformer in our ALMA data. The emission features of all states, including the ground vibrational state, are well-reproduced with the same LTE modeling parameters, which gives us confidence in the reliability of the identifications, even for the states with only one clearly detected line. Conclusions: Emission features pertaining to the highest excited vibrational states of n-propyl cyanide reported in this work have been identified just

  6. Vibrating minds

    CERN Document Server

    2009-01-01

    Ed Witten is one of the leading scientists in the field of string theory, the theory that describes elementary particles as vibrating strings. This week he leaves CERN after having spent a few months here on sabbatical. His wish is that the LHC will unveil supersymmetry.

  7. Quantum random flip-flop and its applications in random frequency synthesis and true random number generation

    Energy Technology Data Exchange (ETDEWEB)

    Stipčević, Mario, E-mail: mario.stipcevic@irb.hr [Photonics and Quantum Optics Research Unit, Center of Excellence for Advanced Materials and Sensing Devices, Ruđer Bošković Institute, Bijenička 54, 10000 Zagreb (Croatia)

    2016-03-15

    In this work, a new type of elementary logic circuit, named random flip-flop (RFF), is proposed, experimentally realized, and studied. Unlike conventional Boolean logic circuits whose action is deterministic and highly reproducible, the action of a RFF is intentionally made maximally unpredictable and, in the proposed realization, derived from a fundamentally random process of emission and detection of light quanta. We demonstrate novel applications of RFF in randomness preserving frequency division, random frequency synthesis, and random number generation. Possible usages of these applications in the information and communication technology, cryptographic hardware, and testing equipment are discussed.

  8. Quantum Cluster Equilibrium Theory Applied in Hydrogen Bond Number Studies of Water. 2. Icebergs in a Two-Dimensional Water Continuum?

    Science.gov (United States)

    Lehmann, S B C; Spickermann, C; Kirchner, B

    2009-06-09

    With the aid of the quantum cluster equilibrium method, we calculate thermodynamic properties for a new water cluster set containing 2-fold and additional tetrahedrally hydrogen-bonded water molecules on the basis of accurate correlated electronic structure calculations. The addition of clusters with 4-fold coordinated water molecules leads to an improved thermodynamical description of the liquid phase in comparison to experimental values. The comparison of the obtained isobars from the pure 2-fold cluster set with the mixed cluster set shows improved results for the mixed set. Furthermore, the results of the liquid-phase entropy calculation compare excellently with experiment if the mixed cluster set is applied. The calculated populations allow us to determine hydrogen bond numbers, resulting in a temperature-dependent average hydrogen bond number. We observe a decreasing average hydrogen bond number of 2.77 at 274 K to 2.26 at 373 K and a dominance of 75% 2-fold hydrogen-bonded water molecules at room temperature for the mixed cluster set.

  9. Hierarchies of intramolecular vibration-rotation dynamical processes in acetylene up to 13,000 cm-1

    Science.gov (United States)

    Perry, David S.; Martens, Jonathan; Amyay, Badr; Herman, Michel

    2012-11-01

    The vibration-rotation dynamics of ? acetylene are computed from a spectroscopic Hamiltonian with 468 parameters fit to 19,582 vibration-rotation transitions up to 13,000 cm-1 of vibrational energy. In this energy range, both the bending and the CH stretching vibrations can reach large amplitudes, but the maximum energy remains below the threshold for isomerization to vinylidene. In contrast to the behavior at energies below 5000 cm-1 [Mol. Phys. 108, 1115 (2010)], excitation of single bright states leads, in almost all cases, to computed intramolecular vibrational redistribution (IVR) that is irreversible on the timescales investigated. Hierarchies of IVR processes on timescales ranging from 20 fs to 20 ps result when different bright states are excited. Different parts of the vibrational quantum number space are explored as a result of the four different classes of coupling terms: vibrational l-type resonance, anharmonic resonances, the rotational l-type resonance, and Coriolis couplings. The initial IVR rates are very different depending on whether the bright states are bending states or stretching states, normal modes or local modes, edge states or interior states. However, the rates of the rotationally mediated couplings do not depend substantially on these distinctions.

  10. Quantum Mechanical Corrections to Simulated Shock Hugoniot Temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Goldman, N; Reed, E; Fried, L E

    2009-07-17

    The authors present a straightforward method for the inclusion of quantum nuclear vibrational effects in molecular dynamics calculations of shock Hugoniot temperatures. Using a grueneisen equation of state and a quasi-harmonic approximation to the vibrational energies, they derive a simple, post-processing method for calculation of the quantum corrected Hugoniot temperatures. They have used our novel technique on ab initio simulations of both shock compressed water and methane. Our results indicate significantly closer agreement with all available experimental temperature data for these two systems. Our formalism and technique can be easily applied to a number of different shock compressed molecular liquids or covalent solids, and has the potential to decrease the large uncertainties inherent in many experimental Hugoniot temperature measurements of these systems.

  11. Broadband Quantum Cryptography

    CERN Document Server

    Rogers, Daniel

    2010-01-01

    Quantum cryptography is a rapidly developing field that draws from a number of disciplines, from quantum optics to information theory to electrical engineering. By combining some fundamental quantum mechanical principles of single photons with various aspects of information theory, quantum cryptography represents a fundamental shift in the basis for security from numerical complexity to the fundamental physical nature of the communications channel. As such, it promises the holy grail of data security: theoretically unbreakable encryption. Of course, implementing quantum cryptography in real br

  12. Blade Vibration Measurement System

    Science.gov (United States)

    Platt, Michael J.

    2014-01-01

    The Phase I project successfully demonstrated that an advanced noncontacting stress measurement system (NSMS) could improve classification of blade vibration response in terms of mistuning and closely spaced modes. The Phase II work confirmed the microwave sensor design process, modified the sensor so it is compatible as an upgrade to existing NSMS, and improved and finalized the NSMS software. The result will be stand-alone radar/tip timing radar signal conditioning for current conventional NSMS users (as an upgrade) and new users. The hybrid system will use frequency data and relative mode vibration levels from the radar sensor to provide substantially superior capabilities over current blade-vibration measurement technology. This frequency data, coupled with a reduced number of tip timing probes, will result in a system capable of detecting complex blade vibrations that would confound traditional NSMS systems. The hardware and software package was validated on a compressor rig at Mechanical Solutions, Inc. (MSI). Finally, the hybrid radar/tip timing NSMS software package and associated sensor hardware will be installed for use in the NASA Glenn spin pit test facility.

  13. Quantum mechanics/molecular mechanics simulation of the ligand vibrations of the water-oxidizing Mn4CaO5 cluster in photosystem II.

    Science.gov (United States)

    Nakamura, Shin; Noguchi, Takumi

    2016-10-11

    During photosynthesis, the light-driven oxidation of water performed by photosystem II (PSII) provides electrons necessary to fix CO 2 , in turn supporting life on Earth by liberating molecular oxygen. Recent high-resolution X-ray images of PSII show that the water-oxidizing center (WOC) is composed of an Mn 4 CaO 5 cluster with six carboxylate, one imidazole, and four water ligands. FTIR difference spectroscopy has shown significant structural changes of the WOC during the S-state cycle of water oxidation, especially within carboxylate groups. However, the roles that these carboxylate groups play in water oxidation as well as how they should be properly assigned in spectra are unresolved. In this study, we performed a normal mode analysis of the WOC using the quantum mechanics/molecular mechanics (QM/MM) method to simulate FTIR difference spectra on the S 1 to S 2 transition in the carboxylate stretching region. By evaluating WOC models with different oxidation and protonation states, we determined that models of high-oxidation states, Mn(III) 2 Mn(IV) 2 , satisfactorily reproduced experimental spectra from intact and Ca-depleted PSII compared with low-oxidation models. It is further suggested that the carboxylate groups bridging Ca and Mn ions within this center tune the reactivity of water ligands bound to Ca by shifting charge via their π conjugation.

  14. Quantum Detection and Invisibility in Coherent Nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Fransson, J.

    2010-04-28

    We address quantum invisibility in the context of electronics in nanoscale quantum structures. In analogy with metamaterials, we use the freedom of design that quantum corrals provide and show that quantum mechanical objects can be hidden inside the corral, with respect to inelastic electron scattering spectroscopy in combination with scanning tunneling microscopy, and we propose a design strategy. A simple illustration of the invisibility is given in terms of an elliptic quantum corral containing a molecule, with a local vibrational mode, at one of the foci. Our work has implications to quantum information technology and presents new tools for nonlocal quantum detection and distinguishing between different molecules.

  15. Real-time detection of doorway states in the intramolecular vibrational energy redistribution of the OH/OD stretch vibration of phenol

    OpenAIRE

    Yamada, Yuji; Mikami, Naohiko; Ebata, Takayuki

    2004-01-01

    A picosecond time-resolved IR-UV pump-probe spectroscopic study was carried out for the intramolecular vibrational energy redistribution of the OH/OD stretching vibration of isolated phenol and its isotopomers in supersonic beams. The time evolution due to IVR showed a significant isotope effect; the OH stretch vibration showed a single exponential decay and its lifetime is greatly lengthened upon the deuterium substitution of the CH group. The OD stretch vibration exhibited prominent quantum...

  16. Urban vibrations

    DEFF Research Database (Denmark)

    Morrison, Ann; Knudsen, L.; Andersen, Hans Jørgen

    2012-01-01

      lab   studies   in   that   we   found   a   decreased   detection   rate   in   busy   environments.   Here   we   test   with   a   much   larger   sample   and   age   range,   and   contribute   with   the   first   vibration  sensitivity  testing  outside  the  lab  in  an  urban   public...

  17. Optimal blind quantum computation.

    Science.gov (United States)

    Mantri, Atul; Pérez-Delgado, Carlos A; Fitzsimons, Joseph F

    2013-12-06

    Blind quantum computation allows a client with limited quantum capabilities to interact with a remote quantum computer to perform an arbitrary quantum computation, while keeping the description of that computation hidden from the remote quantum computer. While a number of protocols have been proposed in recent years, little is currently understood about the resources necessary to accomplish the task. Here, we present general techniques for upper and lower bounding the quantum communication necessary to perform blind quantum computation, and use these techniques to establish concrete bounds for common choices of the client's quantum capabilities. Our results show that the universal blind quantum computation protocol of Broadbent, Fitzsimons, and Kashefi, comes within a factor of 8/3 of optimal when the client is restricted to preparing single qubits. However, we describe a generalization of this protocol which requires exponentially less quantum communication when the client has a more sophisticated device.

  18. Vibrational resonance in the Morse oscillator

    Indian Academy of Sciences (India)

    Abstract. The occurrence of vibrational resonance is investigated in both classical and quantum mechanical Morse oscillators driven by a biharmonic force. The biharmonic force consists of two forces of widely different frequencies ω and with. ≫ ω. In the damped and biharmoni- cally driven classical Morse oscillator, ...

  19. Vibrational spectra of nickel metalloporphyrins: An algebraic approach

    Indian Academy of Sciences (India)

    especially after the development of quantum mechanics in the first part of the 20th century. This is because quantum ... Lie algebras) did not however develop fully until the 1970s, when it was introduced in a systematic fashion by Arima and Iachello in ... oped by Halonen and Child [10]. The algebraic approach of vibrational ...

  20. Manipulation of molecular vibrational motions via pure rotational excitations

    DEFF Research Database (Denmark)

    Shu, Chuan-Cun; Henriksen, Niels Engholm

    2015-01-01

    The coupling between different molecular degrees of freedom plays a decisive role in many quantum phenomena, including electron transfer and energy redistribution. Here, we demonstrate a quantum-mechanical time-dependent simulation to explore how a vibrational motion in a molecule can be affected...

  1. Quantum Entropy and Its Applications to Quantum Communication and Statistical Physics

    Directory of Open Access Journals (Sweden)

    Masanori Ohya

    2010-05-01

    Full Text Available Quantum entropy is a fundamental concept for quantum information recently developed in various directions. We will review the mathematical aspects of quantum entropy (entropies and discuss some applications to quantum communication, statistical physics. All topics taken here are somehow related to the quantum entropy that the present authors have been studied. Many other fields recently developed in quantum information theory, such as quantum algorithm, quantum teleportation, quantum cryptography, etc., are totally discussed in the book (reference number 60.

  2. Finite and profinite quantum systems

    CERN Document Server

    Vourdas, Apostolos

    2017-01-01

    This monograph provides an introduction to finite quantum systems, a field at the interface between quantum information and number theory, with applications in quantum computation and condensed matter physics. The first major part of this monograph studies the so-called `qubits' and `qudits', systems with periodic finite lattice as position space. It also discusses the so-called mutually unbiased bases, which have applications in quantum information and quantum cryptography. Quantum logic and its applications to quantum gates is also studied. The second part studies finite quantum systems, where the position takes values in a Galois field. This combines quantum mechanics with Galois theory. The third part extends the discussion to quantum systems with variables in profinite groups, considering the limit where the dimension of the system becomes very large. It uses the concepts of inverse and direct limit and studies quantum mechanics on p-adic numbers. Applications of the formalism include quantum optics and ...

  3. Vibration-rotation spectroscopic database on acetylene, X ˜ 1 Σg + (12C2H2)

    Science.gov (United States)

    Amyay, B.; Fayt, A.; Herman, M.; Vander Auwera, J.

    2016-06-01

    A complete set of calculated vibration-rotation energies of 12C2H2 ( X ˜ 1 Σg + ) is provided for all vibrational states up to 13 000 cm-1 and some at higher energies, with rotational (J) and vibrational angular momentum (l) quantum numbers such that 0 ≤ J ≤ 100 and 0 ≤ |l| ≤ 20, respectively. The calculation is performed using a global effective Hamiltonian and related spectroscopic constants from the literature [B. Amyay et al., J. Mol. Spectrosc. 267, 80 (2011)], based on the polyad model. The numerical values of all related polyad matrix elements are also provided. The model and equations for the Hamiltonian matrix elements are gathered. The experimental acetylene database used for determining the parameters is listed.

  4. The quantum measurement effect of interaction without interaction for an atomic beam

    Directory of Open Access Journals (Sweden)

    Yong-Yi Huang

    Full Text Available When an atomic beam collectively and harmonically vibrates perpendicular to the wave vector of the beam, the number of atoms reaching the atomic detector will have a vibrant factor Δt/T if the measurement time interval Δt is shorter than the period T. This new quantum mechanical measurement effect for an atomic beam is called interaction without interaction: though the translational motion of the atomic beam does not interact with its collective and transverse harmonic vibration, the latter will have an effect on the measured number of atoms associated with the former. From the new measurement effect the classical harmonic vibration’s period is evaluated. We give a clear physical picture and a satisfactory physical interpretation for the measurement effect based on the Copenhagen interpretation of quantum mechanics. We present an experimental proposal to verify this measurement effect for an ion beam instead of an atomic beam. Keywords: The quantum measurement effect of interaction without interaction, The Copenhagen interpretation of quantum mechanics

  5. Quantum computers.

    Science.gov (United States)

    Ladd, T D; Jelezko, F; Laflamme, R; Nakamura, Y; Monroe, C; O'Brien, J L

    2010-03-04

    Over the past several decades, quantum information science has emerged to seek answers to the question: can we gain some advantage by storing, transmitting and processing information encoded in systems that exhibit unique quantum properties? Today it is understood that the answer is yes, and many research groups around the world are working towards the highly ambitious technological goal of building a quantum computer, which would dramatically improve computational power for particular tasks. A number of physical systems, spanning much of modern physics, are being developed for quantum computation. However, it remains unclear which technology, if any, will ultimately prove successful. Here we describe the latest developments for each of the leading approaches and explain the major challenges for the future.

  6. Theory of vibration protection

    CERN Document Server

    Karnovsky, Igor A

    2016-01-01

    This text is an advancement of the theory of vibration protection of mechanical systems with lumped and distributed parameters. The book offers various concepts and methods of solving vibration protection problems, discusses the advantages and disadvantages of different methods, and the fields of their effective applications. Fundamental approaches of vibration protection, which are considered in this book, are the passive, parametric and optimal active vibration protection. The passive vibration protection is based on vibration isolation, vibration damping and dynamic absorbers. Parametric vibration protection theory is based on the Shchipanov-Luzin invariance principle. Optimal active vibration protection theory is based on the Pontryagin principle and the Krein moment method. The book also contains special topics such as suppression of vibrations at the source of their occurrence and the harmful influence of vibrations on humans. Numerous examples, which illustrate the theoretical ideas of each chapter, ar...

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

    Indian Academy of Sciences (India)

    Administrator

    Present address: The Fritz Haber Research Centre and The Department of Physical Chemisry,. Hebrew University of Jerusalem, ... state of the diatom. Good amount of state-selected experimental data obtained from the molecular beam and the H+/H energy-loss spectroscopy also exists at. Ec.m. = 23 eV for both the IVE ...

  8. Maximally incompatible quantum observables

    Energy Technology Data Exchange (ETDEWEB)

    Heinosaari, Teiko, E-mail: teiko.heinosaari@utu.fi [Turku Centre for Quantum Physics, Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland); Schultz, Jussi, E-mail: jussi.schultz@gmail.com [Dipartimento di Matematica, Politecnico di Milano, Piazza Leonardo da Vinci 32, I-20133 Milano (Italy); Toigo, Alessandro, E-mail: alessandro.toigo@polimi.it [Dipartimento di Matematica, Politecnico di Milano, Piazza Leonardo da Vinci 32, I-20133 Milano (Italy); Istituto Nazionale di Fisica Nucleare, Sezione di Milano, Via Celoria 16, I-20133 Milano (Italy); Ziman, Mario, E-mail: ziman@savba.sk [RCQI, Institute of Physics, Slovak Academy of Sciences, Dúbravská cesta 9, 84511 Bratislava (Slovakia); Faculty of Informatics, Masaryk University, Botanická 68a, 60200 Brno (Czech Republic)

    2014-05-01

    The existence of maximally incompatible quantum observables in the sense of a minimal joint measurability region is investigated. Employing the universal quantum cloning device it is argued that only infinite dimensional quantum systems can accommodate maximal incompatibility. It is then shown that two of the most common pairs of complementary observables (position and momentum; number and phase) are maximally incompatible.

  9. Vibrational dynamics of crystalline L-alanine

    Energy Technology Data Exchange (ETDEWEB)

    Bordallo, H.N.; Eckert, J. [Los Alamos National Lab., NM (United States); Barthes, M. [Univ. Montpellier II (France)

    1997-11-01

    The authors report a new, complete vibrational analysis of L-alanine and L-alanine-d{sub 4} which utilizes IINS intensities in addition to frequency information. The use of both isotopomers resulted in a self-consistent force field for and assignment of the molecular vibrations in L-alanine. Some details of the calculation as well as a comparison of calculated and observed IINS spectra are presented. The study clarifies a number of important issues on the vibrational dynamics of this molecule and presents a self-consistent force field for the molecular vibrations in crystalline L-alanine.

  10. Influence of phonons on semiconductor quantum emission

    Energy Technology Data Exchange (ETDEWEB)

    Feldtmann, Thomas

    2009-07-06

    A microscopic theory of interacting charge carriers, lattice vibrations, and light modes in semiconductor systems is presented. The theory is applied to study quantum dots and phonon-assisted luminescence in bulk semiconductors and heterostructures. (orig.)

  11. Numerical Relativistic Quantum Optics

    Science.gov (United States)

    2013-11-08

    m is a signed cyclotron frequency, nr is the radial quantum number and ` is the orbital quantum number. The principle quantum number is n ≡ nr...Gordon equation is accomplished via domain decomposition, where each GPGPU advances the solution in a given domain, and MPI is used for commu...other points to the corresponding location in the transfer buffer. Once the ghost cells have been updated, the GPGPU can advance the relativistic wave

  12. Quantum state revivals in quantum walks on cycles

    Directory of Open Access Journals (Sweden)

    Phillip R. Dukes

    2014-01-01

    Full Text Available Recurrence in the classical random walk is well known and described by the Pólya number. For quantum walks, recurrence is similarly understood in terms of the probability of a localized quantum walker to return to its origin. Under certain circumstances the quantum walker may also return to an arbitrary initial quantum state in a finite number of steps. Quantum state revivals in quantum walks on cycles using coin operators which are constant in time and uniform across the path have been described before but only incompletely. In this paper we find the general conditions for which full-quantum state revival will occur.

  13. Quantum - coherent dynamics in photosynthetic charge separation revealed by wavelet analysis

    NARCIS (Netherlands)

    Romero, Elisabet; Prior, Javier; Chin, Alex W.; Morgan, Sarah E.; Novoderezhkin, Vladimir I.; Plenio, Martin B.; van Grondelle, Rienk

    2017-01-01

    Experimental/theoretical evidence for sustained vibration-assisted electronic (vibronic) coherence in the Photosystem II Reaction Center (PSII RC) indicates that photosynthetic solar-energy conversion might be optimized through the interplay of electronic and vibrational quantum dynamics. This

  14. Quantum Erasure: Quantum Interference Revisited

    OpenAIRE

    Walborn, Stephen P.; Cunha, Marcelo O. Terra; Pádua, Sebastião; Monken, Carlos H.

    2005-01-01

    Recent experiments in quantum optics have shed light on the foundations of quantum physics. Quantum erasers - modified quantum interference experiments - show that quantum entanglement is responsible for the complementarity principle.

  15. Use of the fluorescence quantum yield for the determination of the number-average molecular weight of polymers of epicatechin with 4β→8 interflavin bonds

    Science.gov (United States)

    D. Cho; W.L. Mattice; L.J. Porter; Richard W. Hemingway

    1989-01-01

    Excitation at 280 nm produces a structureless emission band with a maximum at 321-324 nm for dilute solutions of catechin, epicatechin, and their oligomers in l,4-dioxane or water. The fluorescence quantum yield, Q, has been measured in these two solvents for five dimers, a trimer, a tetramer, a pentamer, a hexamer, and a polymer in which the monomer...

  16. THE POTENTIAL NEURAL MECHANISMS OF ACUTE INDIRECT VIBRATION

    Directory of Open Access Journals (Sweden)

    Darryl J. Cochrane

    2011-03-01

    Full Text Available There is strong evidence to suggest that acute indirect vibration acts on muscle to enhance force, power, flexibility, balance and proprioception suggesting neural enhancement. Nevertheless, the neural mechanism(s of vibration and its potentiating effect have received little attention. One proposal suggests that spinal reflexes enhance muscle contraction through a reflex activity known as tonic vibration stretch reflex (TVR, which increases muscle activation. However, TVR is based on direct, brief, and high frequency vibration (>100 Hz which differs to indirect vibration, which is applied to the whole body or body parts at lower vibration frequency (5-45 Hz. Likewise, muscle tuning and neuromuscular aspects are other candidate mechanisms used to explain the vibration phenomenon. But there is much debate in terms of identifying which neural mechanism(s are responsible for acute vibration; due to a number of studies using various vibration testing protocols. These protocols include: different methods of application, vibration variables, training duration, exercise types and a range of population groups. Therefore, the neural mechanism of acute vibration remain equivocal, but spinal reflexes, muscle tuning and neuromuscular aspects are all viable factors that may contribute in different ways to increasing muscular performance. Additional research is encouraged to determine which neural mechanism(s and their contributions are responsible for acute vibration. Testing variables and vibration applications need to be standardised before reaching a consensus on which neural mechanism(s occur during and post-vibration

  17. Problems and solutions in quantum computing and quantum information

    CERN Document Server

    Steeb, Willi-Hans

    2012-01-01

    Quantum computing and quantum information are two of the fastest growing and most exciting research fields in physics. Entanglement, teleportation and the possibility of using the non-local behavior of quantum mechanics to factor integers in random polynomial time have also added to this new interest. This book supplies a huge collection of problems in quantum computing and quantum information together with their detailed solutions, which will prove to be invaluable to students as well as researchers in these fields. All the important concepts and topics such as quantum gates and quantum circuits, product Hilbert spaces, entanglement and entanglement measures, deportation, Bell states, Bell inequality, Schmidt decomposition, quantum Fourier transform, magic gate, von Neumann entropy, quantum cryptography, quantum error corrections, number states and Bose operators, coherent states, squeezed states, Gaussian states, POVM measurement, quantum optics networks, beam splitter, phase shifter and Kerr Hamilton opera...

  18. On Ultrafast Time-Domain TeraHertz Spectroscopy in the Condensed Phase: Linear Spectroscopic Measurements of Hydrogen-Bond Dynamics of Astrochemical Ice Analogs and Nonlinear TeraHertz Kerr Effect Measurements of Vibrational Quantum Beats

    Science.gov (United States)

    Allodi, Marco A.

    . We tentatively observe a new feature in both amorphous solid water and crystalline water at 33 wavenumbers (1 THz). In addition, our studies of mixed and layered ices show how it is possible to identify the location of carbon dioxide as it segregates within the ice by observing its effect on the THz spectrum of water ice. The THz spectra of mixed and layered ices are further analyzed by fitting their spectra features to those of pure amorphous solid water and crystalline water ice to quantify the effects of temperature changes on structure. From the results of this work, it appears that THz spectroscopy is potentially well suited to study thermal transformations within the ice. To advance the study of liquids with THz spectroscopy, we developed a new ultrafast nonlinear THz spectroscopic technique: heterodyne-detected, ultrafast THz Kerr effect (TKE) spectroscopy. We implemented a heterodyne-detection scheme into a TKE spectrometer that uses a stilbazoium-based THz emitter, 4-N,N-dimethylamino-4-N-methyl-stilbazolium 2,4,6-trimethylbenzenesulfonate (DSTMS), and high numerical aperture optics which generates THz electric field in excess of 300 kV/cm, in the sample. This allows us to report the first measurement of quantum beats at terahertz (THz) frequencies that result from vibrational coherences initiated by the nonlinear, dipolar interaction of a broadband, high-energy, (sub)picosecond THz pulse with the sample. Our instrument improves on both the frequency coverage, and sensitivity previously reported; it also ensures a backgroundless measurement of the THz Kerr effect in pure liquids. For liquid diiodomethane, we observe a quantum beat at 3.66 THz (122 wavenumbers), in exact agreement with the fundamental transition frequency of the lowest energy vibration of the molecule. This result provides new insight into dipolar vs. Raman selection rules at terahertz frequencies. To conclude we discuss future directions for the nonlinear THz spectroscopy in the Blake lab

  19. Collective and single particle states in medium mass vibrational nuclei

    CERN Document Server

    Suliman, G

    2001-01-01

    The particle-core coupling model has been employed to describe the low lying nuclear excitations in the vibrational odd-A nuclei. In the frame of this model the following observables were calculated: excitation energies, spin and parity quantum numbers, electric quadrupole moments, magnetic dipole moments and reduced transition probabilities. Two computer codes were employed. The first one, PCOREC, diagonalized the Hamiltonian providing the eigenvectors and eigenvalues. The second one, PCORECTR, starts from the eigenvector computer by the first program and computes the observables which are compared we results of experiments. A good description of the experimental data has been obtained for the sup 1 sup 3 sup 3 Sb, sup 1 sup 2 sup 3 Sb and sup 1 sup 2 sup 5 Sb nuclei. (authors)

  20. Dark states in quantum photosynthesis

    CERN Document Server

    Kozyrev, S V

    2016-01-01

    We discuss a model of quantum photosynthesis with degeneracy in the light-harvesting system. We consider interaction of excitons in chromophores with light and phonons (vibrations of environment). These interactions have dipole form but are different (are related to non-parallel vectors of "bright" states). We show that this leads to excitation of non-decaying "dark" states. We discuss relation of this model to the known from spectroscopical experiments phenomenon of existence of photonic echo in quantum photosynthesis.

  1. Self-excited and subharmonic vibrations in a pilot rotor

    Science.gov (United States)

    Kumenko, A. I.; Kostyukov, V. N.; Kuzminykh, N. Yu.; Timin, A. V.

    2017-08-01

    The paper reviews the publications on low-frequency vibration in power plants. It is noted that the regulatory literature poorly defines the issues of rating and diagnosing self-excited and subharmonic vibrations. Analysis of the literature and ISO standards shows that despite the considerable experience gained by specialists in low-frequency vibration control, a number of issues, such as subharmonic resonances and nonlinear properties of complicated multi-seated rotor systems supported by journal bearings, are still understudied and require further calculations and experiments. The paper presents some results obtained in experiments of low-frequency vibrations for a rotor supported by journal bearings and having a residual deflection. The experimental results confirmed the classical hysteresis of self-excited vibrations - the difference in the boundaries of self-excited vibrations during ascent and descent is about 4 Hz. The arears of appearance and disappearance of subharmonic vibrations are shown using the spectral characteristics of vibrations and cascade spectra.

  2. Pulsed Molecular Optomechanics in Plasmonic Nanocavities: From Nonlinear Vibrational Instabilities to Bond-Breaking

    Directory of Open Access Journals (Sweden)

    Anna Lombardi

    2018-02-01

    Full Text Available Small numbers of surface-bound molecules are shown to behave as would be expected for optomechanical oscillators placed inside plasmonic nanocavities that support extreme confinement of optical fields. Pulsed Raman scattering reveals superlinear Stokes emission above a threshold, arising from the stimulated vibrational pumping of molecular bonds under pulsed excitation shorter than the phonon decay time, and agreeing with pulsed optomechanical quantum theory. Reaching the parametric instability (equivalent to a phonon laser or “phaser” regime is, however, hindered by the motion of gold atoms and molecular reconfiguration at phonon occupations approaching unity. We show how this irreversible bond breaking can ultimately limit the exploitation of molecules as quantum-mechanical oscillators, but accesses optically driven chemistry.

  3. Tunable Passive Vibration Suppressor

    Science.gov (United States)

    Boechler, Nicholas (Inventor); Dillon, Robert Peter (Inventor); Daraio, Chiara (Inventor); Davis, Gregory L. (Inventor); Shapiro, Andrew A. (Inventor); Borgonia, John Paul C. (Inventor); Kahn, Daniel Louis (Inventor)

    2016-01-01

    An apparatus and method for vibration suppression using a granular particle chain. The granular particle chain is statically compressed and the end particles of the chain are attached to a payload and vibration source. The properties of the granular particles along with the amount of static compression are chosen to provide desired filtering of vibrations.

  4. Vibrations and Eigenvalues

    Indian Academy of Sciences (India)

    We make music by causing strings, membranes, or air columns to vibrate. Engineers design safe structures by control- ling vibrations. I will describe to you a very simple vibrating system and the mathematics needed to analyse it. The ideas were born in the work of Joseph-Louis Lagrange (1736–1813), and I begin by quot-.

  5. Quantum computing

    OpenAIRE

    Li, Shu-shen; Long, Gui-Lu; Bai, Feng-Shan; Feng, Song-Lin; Zheng, Hou-Zhi

    2001-01-01

    Quantum computing is a quickly growing research field. This article introduces the basic concepts of quantum computing, recent developments in quantum searching, and decoherence in a possible quantum dot realization.

  6. Vibration-rotation alchemy in acetylene (12C2H2), ? at low vibrational excitation: from high resolution spectroscopy to fast intramolecular dynamics

    Science.gov (United States)

    Perry, David S.; Miller, Anthony; Amyay, Badr; Fayt, André; Herman, Michel

    2010-04-01

    The link between energy-resolved spectra and time-resolved dynamics is explored quantitatively for acetylene (12C2H2), ? with up to 8600 cm-1 of vibrational energy. This comparison is based on the extensive and reliable knowledge of the vibration-rotation energy levels and on the model Hamiltonian used to fit them to high precision [B. Amyay, S. Robert, M. Herman, A. Fayt, B. Raghavendra, A. Moudens, J. Thiévin, B. Rowe, and R. Georges, J. Chem. Phys. 131, 114301 (2009)]. Simulated intensity borrowing features in high resolution absorption spectra and predicted survival probabilities in intramolecular vibrational redistribution (IVR) are first investigated for the v 4 + v 5 and v 3 bright states, for J = 2, 30 and 100. The dependence of the results on the rotational quantum number and on the choice of vibrational bright state reflects the interplay of three kinds of off-diagonal resonances: anharmonic, rotational l-type, and Coriolis. The dynamical quantities used to characterize the calculated time-dependent dynamics are the dilution factor φ d, the IVR lifetime τ IVR , and the recurrence time τ rec. For the two bright states v 3 + 2v 4 and 7v 4, the collisionless dynamics for thermally averaged rotational distributions at T = 27, 270 and 500 K were calculated from the available spectroscopic data. For the 7v 4 bright state, an apparent irreversible decay of is found. In all cases, the model Hamiltonian allows a detailed calculation of the energy flow among all of the coupled zeroth-order vibration-rotation states.

  7. Benefits of Spacecraft Level Vibration Testing

    Science.gov (United States)

    Gordon, Scott; Kern, Dennis L.

    2015-01-01

    NASA-HDBK-7008 Spacecraft Level Dynamic Environments Testing discusses the approaches, benefits, dangers, and recommended practices for spacecraft level dynamic environments testing, including vibration testing. This paper discusses in additional detail the benefits and actual experiences of vibration testing spacecraft for NASA Goddard Space Flight Center (GSFC) and Jet Propulsion Laboratory (JPL) flight projects. JPL and GSFC have both similarities and differences in their spacecraft level vibration test approach: JPL uses a random vibration input and a frequency range usually starting at 5 Hz and extending to as high as 250 Hz. GSFC uses a sine sweep vibration input and a frequency range usually starting at 5 Hz and extending only to the limits of the coupled loads analysis (typically 50 to 60 Hz). However, both JPL and GSFC use force limiting to realistically notch spacecraft resonances and response (acceleration) limiting as necessary to protect spacecraft structure and hardware from exceeding design strength capabilities. Despite GSFC and JPL differences in spacecraft level vibration test approaches, both have uncovered a significant number of spacecraft design and workmanship anomalies in vibration tests. This paper will give an overview of JPL and GSFC spacecraft vibration testing approaches and provide a detailed description of spacecraft anomalies revealed.

  8. Superradiant Quantum Heat Engine.

    Science.gov (United States)

    Hardal, Ali Ü C; Müstecaplıoğlu, Özgür E

    2015-08-11

    Quantum physics revolutionized classical disciplines of mechanics, statistical physics, and electrodynamics. One branch of scientific knowledge however seems untouched: thermodynamics. Major motivation behind thermodynamics is to develop efficient heat engines. Technology has a trend to miniaturize engines, reaching to quantum regimes. Development of quantum heat engines (QHEs) requires emerging field of quantum thermodynamics. Studies of QHEs debate whether quantum coherence can be used as a resource. We explore an alternative where it can function as an effective catalyst. We propose a QHE which consists of a photon gas inside an optical cavity as the working fluid and quantum coherent atomic clusters as the fuel. Utilizing the superradiance, where a cluster can radiate quadratically faster than a single atom, we show that the work output becomes proportional to the square of the number of the atoms. In addition to practical value of cranking up QHE, our result is a fundamental difference of a quantum fuel from its classical counterpart.

  9. Vibration analysis of cryocoolers

    Science.gov (United States)

    Tomaru, Takayuki; Suzuki, Toshikazu; Haruyama, Tomiyoshi; Shintomi, Takakazu; Yamamoto, Akira; Koyama, Tomohiro; Li, Rui

    2004-05-01

    The vibrations of Gifford-McMahon (GM) and pulse-tube (PT) cryocoolers were measured and analyzed. The vibrations of the cold-stage and cold-head were measured separately to investigate their vibration mechanisms. The measurements were performed while maintaining the thermal conditions of the cryocoolers at a steady state. We found that the vibration of the cold-head for the 4 K PT cryocooler was two orders of magnitude smaller than that of the 4 K GM cryocooler. On the other hand, the vibration of the cold-stages for both cryocoolers was of the same order of magnitude. From a spectral analysis of the vibrations and a simulation, we concluded that the vibration of the cold-stage is caused by an elastic deformation of the pulse tubes (or cylinders) due to the pressure oscillation of the working gas.

  10. Vibration analysis of cryocoolers

    Energy Technology Data Exchange (ETDEWEB)

    Tomaru, Takayuki; Suzuki, Toshikazu; Haruyama, Tomiyoshi; Shintomi, Takakazu; Yamamoto, Akira [High Energy Accelerator Research Organization (KEK), Tsukuba, Ibaraki (Japan); Koyama, Tomohiro; Rui Li [Sumitomo Heavy Industries Ltd., Tokyo (Japan)

    2004-05-01

    The vibrations of Gifford-McMahon (GM) and pulse-tube (PT) cryocoolers were measured and analyzed. The vibrations of the cold-stage and cold-head were measured separately to investigate their vibration mechanisms. The measurements were performed while maintaining the thermal conditions of the cryocoolers at a steady state. We found that the vibration of the cold-head for the 4 K PT cryocooler was two orders of magnitude smaller than that of the 4 K GM cryocooler. On the other hand, the vibration of the cold-stages for both cryocoolers was of the same order of magnitude. From a spectral analysis of the vibrations and a simulation, we concluded that the vibration of the cold-stage is caused by an elastic deformation of the pulse tubes (or cylinders) due to the pressure oscillation of the working gas. (Author)

  11. Vibration of hydraulic machinery

    CERN Document Server

    Wu, Yulin; Liu, Shuhong; Dou, Hua-Shu; Qian, Zhongdong

    2013-01-01

    Vibration of Hydraulic Machinery deals with the vibration problem which has significant influence on the safety and reliable operation of hydraulic machinery. It provides new achievements and the latest developments in these areas, even in the basic areas of this subject. The present book covers the fundamentals of mechanical vibration and rotordynamics as well as their main numerical models and analysis methods for the vibration prediction. The mechanical and hydraulic excitations to the vibration are analyzed, and the pressure fluctuations induced by the unsteady turbulent flow is predicted in order to obtain the unsteady loads. This book also discusses the loads, constraint conditions and the elastic and damping characters of the mechanical system, the structure dynamic analysis, the rotor dynamic analysis and the system instability of hydraulic machines, including the illustration of monitoring system for the instability and the vibration in hydraulic units. All the problems are necessary for vibration pr...

  12. A quantum constrained kinematic model for elementary chemical reactions

    Science.gov (United States)

    McCaffery, Anthony J.; Truhins, Kaspars; Whiteley, Thomas W. J.

    1998-05-01

    The model we have termed quantum constrained kinematics and found to give an accurate account of atom-diatom inelastic scattering is tested by application to elementary atom-molecule reactive collisions. The approach emphasizes the disposal of initial relative momentum into rotational angular momentum of the product diatomic via vector relations that are constrained by the internal quantum structure of the product diatomic. We introduce the concept of vibrational momentum of the atoms in a diatomic molecule in order to treat vibrational and rotational excitation of the product species. This representation is valuable in providing a realistic picture of the motion in a heteronuclear diatomic and also indicates how the enthalpy of a reaction may be disposed in momentum terms. It may also provide criteria for assessing the likelihood of particular reaction mechanisms. Comparison of results calculated using the quantum constrained kinematic model with experimental data indicates a number of simple, transferable rule-of-thumb guides to the outcome of reactive collisions. Most probable j values and distributions are accurately predicted using readily available data in parameter-free calculations. It is found that in reactive collisions, initial velocity distributions are mapped onto those of product rotational states via an effective impact parameter distribution that is sharply peaked around the half bond length of the product diatomic molecule.

  13. Molecular dynamics simulations and instantaneous normal-mode analysis of the vibrational relaxation of the C-H stretching modes of N-methylacetamide-d in liquid deuterated water.

    Science.gov (United States)

    Bastida, Adolfo; Soler, Miguel A; Zúñiga, José; Requena, Alberto; Kalstein, Adrián; Fernández-Alberti, Sebastian

    2010-11-04

    Nonequilibrium molecular dynamics (MD) simulations and instantaneous normal mode (INMs) analyses are used to study the vibrational relaxation of the C-H stretching modes (ν(s)(CH₃)) of deuterated N-methylacetamide (NMAD) in aqueous (D2O) solution. The INMs are identified unequivocally in terms of the equilibrium normal modes (ENMs), or groups of them, using a restricted version of the recently proposed Min-Cost assignment method. After excitation of the parent ν(s)(CH₃) modes with one vibrational quantum, the vibrational energy is shown to dissipate through both intramolecular vibrational redistribution (IVR) and intermolecular vibrational energy transfer (VET). The decay of the vibrational energy of the ν(s)(CH₃) modes is well fitted to a triple exponential function, with each characterizing a well-defined stage of the entire relaxation process. The first, and major, relaxation stage corresponds to a coherent ultrashort (τ(rel) = 0.07 ps) energy transfer from the parent ν(s)(CH₃) modes to the methyl bending modes δ(CH₃), so that the initially excited state rapidly evolves into a mixed stretch-bend state. In the second stage, characterized by a time of 0.92 ps, the vibrational energy flows through IVR to a number of mid-range-energy vibrations of the solute. In the third stage, the vibrational energy accumulated in the excited modes dissipates into the bath through an indirect VET process mediated by lower-energy modes, on a time scale of 10.6 ps. All the specific relaxation channels participating in the whole relaxation process are properly identified. The results from the simulations are finally compared with the recent experimental measurements of the ν(s)(CH₃) vibrational energy relaxation in NMAD/D₂O(l) reported by Dlott et al. (J. Phys. Chem. A 2009, 113, 75.) using ultrafast infrared-Raman spectroscopy.

  14. Quantum quandaries

    CERN Document Server

    Weber, Timothy

    1995-01-01

    For extra credit or just for the fun of it-why not try a brainteaser? This collection brings together the first 100 brainteasers from Quantum magazine, published by the National Science Teachers Association in collaboration with the Russian magazine Kvant. Through its pages, you'll find number rebuses, geometry ticklers, logic puzzles, and quirky questions with a physics twist. Students and teachers alike will enjoy these fun quandaries.

  15. Search for the Standard Model Higgs boson in the $H -> W^+ W^- -> ℓ^+ ν ℓ^− \\overline ν$ final state with the ATLAS experiment and study of its spin and parity quantum numbers

    CERN Document Server

    AUTHOR|(INSPIRE)INSPIRE-00225109

    Search and discovery of the Standard Model Higgs Boson, with the ATLAS experiment at the Large Hadron Collider, with up to 25 inverse femtobarns of data, in the WW -> lnulnu final state. The search has been conducted with a multivariate technique, namely the Boosted Decision Tree one, to fully exploit the topology of the final state and enhance the sensitivity. In addition, the measurement of the spin and parity quantum numbers of the newly found resounacne, has been performed, to assess its compatibility with the Higgs Boson as predicted by the Standard Model.

  16. Quantum Distinction: Quantum Distinctiones!

    OpenAIRE

    Zeps, Dainis

    2009-01-01

    10 pages; How many distinctions, in Latin, quantum distinctiones. We suggest approach of anthropic principle based on anthropic reference system which should be applied equally both in theoretical physics and in mathematics. We come to principle that within reference system of life subject of mathematics (that of thinking) should be equated with subject of physics (that of nature). For this reason we enter notions of series of distinctions, quantum distinction, and argue that quantum distinct...

  17. Vibrational dephasing in matter-wave interferometers

    Science.gov (United States)

    Rembold, A.; Schütz, G.; Röpke, R.; Chang, W. T.; Hwang, I. S.; Günther, A.; Stibor, A.

    2017-03-01

    Matter-wave interferometry is a highly sensitive tool to measure small perturbations in a quantum system. This property allows the creation of precision sensors for dephasing mechanisms such as mechanical vibrations. They are a challenge for phase measurements under perturbing conditions that cannot be perfectly decoupled from the interferometer, e.g. for mobile interferometric devices or vibrations with a broad frequency range. Here, we demonstrate a method based on second-order correlation theory in combination with Fourier analysis, to use an electron interferometer as a sensor that precisely characterizes the mechanical vibration spectrum of the interferometer. Using the high spatial and temporal single-particle resolution of a delay line detector, the data allows to reveal the original contrast and spatial periodicity of the interference pattern from ‘washed-out’ matter-wave interferograms that have been vibrationally disturbed in the frequency region between 100 and 1000 Hz. Other than with electromagnetic dephasing, due to excitations of higher harmonics and additional frequencies induced from the environment, the parts in the setup oscillate with frequencies that can be different to the applied ones. The developed numerical search algorithm is capable to determine those unknown oscillations and corresponding amplitudes. The technique can identify vibrational dephasing and decrease damping and shielding requirements in electron, ion, neutron, atom and molecule interferometers that generate a spatial fringe pattern on the detector plane.

  18. Quantum Minimum Distance Classifier

    OpenAIRE

    Enrica Santucci

    2017-01-01

    We propose a quantum version of the well known minimum distance classification model called Nearest Mean Classifier (NMC). In this regard, we presented our first results in two previous works. First, a quantum counterpart of the NMC for two-dimensional problems was introduced, named Quantum Nearest Mean Classifier (QNMC), together with a possible generalization to any number of dimensions. Secondly, we studied the n-dimensional problem into detail and we showed a new encoding for arbitrary n-...

  19. Higher-order diagrammatic vibrational coupled-cluster theory.

    Science.gov (United States)

    Faucheaux, Jacob A; Hirata, So

    2015-10-07

    Diagrammatically size-consistent and basis-set-free vibrational coupled-cluster (XVCC) theory for both zero-point energies and transition frequencies of a molecule, the latter through the equation-of-motion (EOM) formalism, is defined for an nth-order Taylor-series potential energy surface (PES). Quantum-field-theoretical tools (the rules of normal-ordered second quantization and Feynman-Goldstone diagrams) for deriving their working equations are established. The equations of XVCC and EOM-XVCC including up to the mth-order excitation operators are derived and implemented with the aid of computer algebra in the range of 1 ≤ m ≤ 8. Algorithm optimizations known as strength reduction, intermediate reuse, and factorization are carried out before code generation, reducing the cost scaling of the mth-order XVCC and EOM-XVCC in an nth-order Taylor-series PES (m ≥ n) to the optimal value of O(N(m+⌊n/2⌋)), where N is the number of modes. The calculated zero-point energies and frequencies of fundamentals, overtones, and combinations as well as Fermi-resonant modes display rapid and nearly monotonic convergence with m towards the exact values for the PES. The theory with the same excitation rank as the truncation order of the Taylor-series PES (m = n) seems to strike the best cost-accuracy balance, achieving the accuracy of a few tenths of cm(-1) for transitions involving (m - 3) modes and of a few cm(-1) for those involving (m - 2) modes. The relationships between XVCC and the vibrational coupled-cluster theories of Prasad and coworkers and of Christiansen and coworkers as well as the size-extensive vibrational self-consistent-field and many-body perturbation theories are also elucidated.

  20. Vibration mode shape control by prestressing

    Science.gov (United States)

    Holnicki-Szulc, Jan; Haftka, Raphael T.

    1992-01-01

    A procedure is described for reducing vibration at sensitive locations on a structure, by induced distortions. The emphasis is placed on the excitation in a narrow frequency band, so that only a small number of vibration modes contribute to the intensity of the forced response. The procedure is demonstrated on an antenna truss example, showing that, with repeated frequencies, it is very easy to move nodal lines of one of the modes.

  1. Vibrational study, first hyperpolarizability and HOMO-LUMO analyses on the structure of 2-hydroxy-6-nitro toluene

    Science.gov (United States)

    Arivazhagan, M.; Thilagavathi, G.

    2012-06-01

    Vibrational spectral measurements, namely, FT-infrared (4000-400 cm-1) and FT-Raman (3500-50 cm-1) spectra have been made for 2-hydroxy-6-nitrotoluene (HNT) and assigned to different normal modes of the molecule. Quantum chemical calculations of energies, geometrical structure, harmonic vibrational frequencies intensities and vibrational wavenumbers of HNT were carried out by ab initio HF and density functional theory (DFT/B3LYP) method with 6-311++G(d,p) basis set. The differences between the observed and scaled wave number values of most of the fundamentals are very small. The values of the total dipole moment (μ) and first hyperpolarizability (β) of the investigated molecule were computed by using ab initio HF and density functional theory (DFT/B3LYP) methods with 6-311++G(d,p) basis set quantum mechanical calculations. The calculated results also show that the HNT molecule might have microscopic nonlinear optical (NLO) behavior with non-zero values. A detailed interpretation of the infrared and Raman spectra of HNT is also reported based on total energy distribution (TED). The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. The results of the calculations were applied to simulated infrared and Raman spectra of the title compound which showed excellent agreement with the observed spectra.

  2. Integrated Quantum Optics: Experiments towards integrated quantum-light sources and quantum-enhanced sensing

    DEFF Research Database (Denmark)

    Hoff, Ulrich Busk

    The work presented in this thesis is focused on experimental application and generation of continuous variable quantum correlated states of light in integrated dielectric structures. Squeezed states are among the most exploited continuous variable optical states for free-space quantum-enhanced se......The work presented in this thesis is focused on experimental application and generation of continuous variable quantum correlated states of light in integrated dielectric structures. Squeezed states are among the most exploited continuous variable optical states for free-space quantum...... in this thesis: Firstly, we present proof-of-principle demonstration of interfacing squeezed light with an on-chip optomechanical resonator, demonstrating a quantum-enhanced sensitivity to the vibrations of the micromechanical object. Secondly, work on developing an integrated source of squeezed light...

  3. Lifetimes and wave functions of ozone metastable vibrational states near the dissociation limit in full symmetry approach

    CERN Document Server

    Lapierre, David; Kochanov, Roman; Kokoouline, Viatcheslav; Tyuterev, Vladimir

    2016-01-01

    Energies and lifetimes (widths) of vibrational states above the lowest dissociation limit of $^{16}$O$_3$ were determined using a previously-developed efficient approach, which combines hyperspherical coordinates and a complex absorbing potential. The calculations are based on a recently-computed potential energy surface of ozone determined with a spectroscopic accuracy [J. Chem. Phys. {\\bf 139}, 134307 (2013)]. The effect of permutational symmetry on rovibrational dynamics and the density of resonance states in O$_3$ is discussed in detail. Correspondence between quantum numbers appropriate for short- and long-range parts of wave functions of the rovibrational continuum is established. It is shown, by symmetry arguments, that the allowed purely vibrational ($J=0$) levels of $^{16}$O$_3$ and $^{18}$O$_3$, both made of bosons with zero nuclear spin, cannot dissociate on the ground state potential energy surface. Energies and wave functions of bound states of the ozone isotopologue $^{16}$O$_3$ with rotational ...

  4. On quantum seas

    NARCIS (Netherlands)

    Eliëns, I.S.

    2017-01-01

    The rules of quantum mechanics are simple and well understood, yet the collective behavior of large numbers of interacting constituents still hosts many mysteries. Even for models built from the simplest of quantum components, namely qubits or equivalently the spin-1/2 magnetic moment of fundamental

  5. Quantum Field Theory

    OpenAIRE

    Wilczek, Frank

    1998-01-01

    I discuss the general principles underlying quantum field theory, and attempt to identify its most profound consequences. The deepest of these consequences result from the infinite number of degrees of freedom invoked to implement locality. I mention a few of its most striking successes, both achieved and prospective. Possible limitations of quantum field theory are viewed in the light of its history.

  6. Simulation studies for multichannel active vibration control

    Science.gov (United States)

    Prakash, Shashikala; Balasubramaniam, R.; Praseetha, K. K.

    2003-10-01

    Traditional approach to vibration control uses passive techniques, which are relatively large, costly and ineffective at low frequencies. Active Vibration Control (AVC) is used to overcome these problems & in AVC additional sources (secondary) are used to cancel vibration from primary source based on the principle of superposition theorem Since the characteristics of the vibration source and environment are time varying, the AVC system must be adaptive. Adaptive systems have the ability to track time varying disturbances and provide optimal control over a much broader range of conditions than conventional fixed control systems. In multi channel AVC vibration fields in large dimensions are controlled & is more complicated. Therefore to actively control low frequency vibrations on large structures, multi channel AVC requires a control system that uses multiple secondary sources to control the vibration field simultaneously at multiple error sensor locations. The error criterion that can be directly measured is the sum of squares of outputs of number of sensors. The adaptive algorithm is designed to minimize this & the algorithm implemented is the "Multiple error LMS algorithm." The best known applications of multiple channel FXLMS algorithm is in real time AVC and system identification. More wider applications are in the control of propeller induced noise in flight cabin interiors. In the present paper the results of simulation studies carried out in MATLAB as well as on TMS320C32 DSP processor will be brought out for a two-channel case.

  7. Including quantum subsystem character within classical equilibrium simulations.

    Science.gov (United States)

    Gomez, Maria A; Peart, Patricia

    2006-07-21

    A mixed quantum/classical density matrix approximation is derived. The density matrix makes use of quantum subsystem vibrational wave functions. The diagonal of the density matrix can be used as an equilibrium distribution in Monte Carlo simulations. The approximate distribution compares well with the path integral distribution for a model system. Since it includes quantum subsystem information, it performs much better than the quadratic Feynman-Hibbs distribution. These types of distributions can aid in including quantum vibrational information in otherwise classical simulations.

  8. On Classical and Quantum Cryptography

    OpenAIRE

    Volovich, I.V.; Volovich, Ya. I.

    2001-01-01

    Lectures on classical and quantum cryptography. Contents: Private key cryptosystems. Elements of number theory. Public key cryptography and RSA cryptosystem. Shannon`s entropy and mutual information. Entropic uncertainty relations. The no cloning theorem. The BB84 quantum cryptographic protocol. Security proofs. Bell`s theorem. The EPRBE quantum cryptographic protocol.

  9. Quantum dynamics of the Cl+ H 2 reaction at ultracold temperatures

    Indian Academy of Sciences (India)

    Quantum calculations are reported for the reaction between vibrationally excited H2 molecules and Cl atoms at energies ranging from the ultracold to thermal regimes. It is found that chemical reaction leading to vibrationally excited HCl molecules dominates over non-reactive vibrational quenching. The product HCl ...

  10. Quantum dynamics of the Cl+H2 reaction at ultracold temperatures

    Indian Academy of Sciences (India)

    Abstract. Quantum calculations are reported for the reaction between vibrationally excited H2 molecules and. Cl atoms at energies ranging from the ultracold to thermal regimes. It is found that chemical reaction leading to vibrationally excited HCl molecules dominates over non-reactive vibrational quenching. The product ...

  11. The diffraction signatures of individual vibrational modes in polyatomic molecules

    Science.gov (United States)

    Ryu, Seol; Weber, Peter M.; Stratt, Richard M.

    2000-01-01

    Though one normally thinks of single-molecule diffraction studies as tools for eliciting molecular geometry, molecular diffraction patterns are really the Fourier transforms of complete molecular wave functions. There is thus at least the possibility of imaging the vibrational wave functions of polyatomic molecules by means of a pump-probe diffraction experiment: the pump laser could prepare a specific vibrational state and an electron or x-ray could then be diffracted off the molecule some short time later. The present paper develops the general theory of diffraction signatures for individual vibrational wave functions in polyatomic molecules and investigates the feasibility of seeing such signatures experimentally using the example of a linear triatomic molecule modeled after CS2. Although aligned molecules in specific vibrational quantum states turn out to exhibit very characteristic diffraction signatures, the signatures of the vibrational wave functions are partially washed out for the complete isotropy expected from gas phase molecules. Nonetheless, it is possible to design a diffraction experiment using a pump-dump sequence with a polarized laser beam which will select a nonisotropic sample of vibrationally excited molecules. We show that the resulting level of anisotropy should enhance the diffraction signature, helping to distinguish different vibrational components. These model calculations therefore suggest the possibility of observing the dynamics of vibrational wave packets using experimentally realizable diffraction techniques.

  12. Quantum isometry groups

    CERN Document Server

    Goswami, Debashish

    2016-01-01

    This book offers an up-to-date overview of the recently proposed theory of quantum isometry groups. Written by the founders, it is the first book to present the research on the “quantum isometry group”, highlighting the interaction of noncommutative geometry and quantum groups, which is a noncommutative generalization of the notion of group of isometry of a classical Riemannian manifold. The motivation for this generalization is the importance of isometry groups in both mathematics and physics. The framework consists of Alain Connes’ “noncommutative geometry” and the operator-algebraic theory of “quantum groups”. The authors prove the existence of quantum isometry group for noncommutative manifolds given by spectral triples under mild conditions and discuss a number of methods for computing them. One of the most striking and profound findings is the non-existence of non-classical quantum isometry groups for arbitrary classical connected compact manifolds and, by using this, the authors explicitl...

  13. Quantum physics meets biology.

    Science.gov (United States)

    Arndt, Markus; Juffmann, Thomas; Vedral, Vlatko

    2009-12-01

    Quantum physics and biology have long been regarded as unrelated disciplines, describing nature at the inanimate microlevel on the one hand and living species on the other hand. Over the past decades the life sciences have succeeded in providing ever more and refined explanations of macroscopic phenomena that were based on an improved understanding of molecular structures and mechanisms. Simultaneously, quantum physics, originally rooted in a world-view of quantum coherences, entanglement, and other nonclassical effects, has been heading toward systems of increasing complexity. The present perspective article shall serve as a "pedestrian guide" to the growing interconnections between the two fields. We recapitulate the generic and sometimes unintuitive characteristics of quantum physics and point to a number of applications in the life sciences. We discuss our criteria for a future "quantum biology," its current status, recent experimental progress, and also the restrictions that nature imposes on bold extrapolations of quantum theory to macroscopic phenomena.

  14. Spectroscopic probes of vibrationally excited molecules at chemically significant energies

    Energy Technology Data Exchange (ETDEWEB)

    Rizzo, T.R. [Univ. of Rochester, NY (United States)

    1993-12-01

    This project involves the application of multiple-resonance spectroscopic techniques for investigating energy transfer and dissociation dynamics of highly vibrationally excited molecules. Two major goals of this work are: (1) to provide information on potential energy surfaces of combustion related molecules at chemically significant energies, and (2) to test theoretical modes of unimolecular dissociation rates critically via quantum-state resolved measurements.

  15. Vibration of imperfect rotating disk

    Directory of Open Access Journals (Sweden)

    Půst L.

    2011-12-01

    Full Text Available This study is concerned with the theoretical and numerical calculations of the flexural vibrations of a bladed disk. The main focus of this study is to elaborate the basic background for diagnostic and identification methods for ascertaining the main properties of the real structure or an experimental model of turbine disks. The reduction of undesirable vibrations of blades is proposed by using damping heads, which on the experimental model of turbine disk are applied only on a limited number of blades. This partial setting of damping heads introduces imperfection in mass, stiffness and damping distribution on the periphery and leads to more complicated dynamic properties than those of a perfect disk. Calculation of FEM model and analytic—numerical solution of disk behaviour in the limited (two modes frequency range shows the splitting of resonance with an increasing speed of disk rotation. The spectrum of resonance is twice denser than that of a perfect disk.

  16. Vibration-rotation energy pattern in acetylene: (13)CH(12)CH up to 10 120 cm(-1).

    Science.gov (United States)

    Robert, S; Amyay, B; Fayt, A; Di Lonardo, G; Fusina, L; Tamassia, F; Herman, M

    2009-11-26

    All 18,219 vibration-rotation absorption lines of (13)CH(12)CH published in the literature, accessing substates up to 9400 cm(-1) and including some newly assigned, were simultaneously fitted to J-dependent Hamiltonian matrices exploiting the well-known vibrational polyad or cluster block-diagonalization, in terms of the pseudo quantum numbers N(s) = v(1) + v(2) + v(3) and N(r) = 5v(1) + 3v(2) + 5v(3) + v(4) + v(5), also accounting for k = l(4) + l(5) parity and e/f symmetry properties. Some 1761 of these lines were excluded from the fit, corresponding either to blended lines, for about 30% of them, or probably to lines perturbed by Coriolis for the remaining ones. The dimensionless standard deviation of the fit is 1.10, and 317 vibration-rotation parameters are determined. These results significantly extend those of a previous report considering levels below only 6750 cm(-1) [Fayt, A.; et al. J. Chem. Phys. 2007, 126, 114303]. Unexpected problems are reported when inserting in the global fit the information available on higher-energy polyads, extending from 9300 to 10 120 cm(-1). They are tentatively interpreted as resulting from a combination of the relative evolution of the two effective bending frequencies and long-range interpolyad low-order anharmonic resonances. The complete database, made of 18,865 vibration-rotation lines accessing levels up to 10 120 cm(-1), is made available as Supporting Information.

  17. Infrared vibration-rotation spectra of the ClO radical using tunable diode laser spectroscopy. [ozone destruction in stratosphere

    Science.gov (United States)

    Rogowski, R. S.; Bair, C. H.; Wade, W. R.; Hoell, J. M.; Copeland, G. E.

    1978-01-01

    Tunable diode laser spectroscopy is used to measure the infrared vibration-rotation spectra of the ClO radical. The radical is generated in a flow system where a Cl2-He mixture passes through a microwave discharge to dissociate the Cl2. An O3-O2 mixture from an ozone generator is injected into the system downstream of the microwave discharge where O3 combines with Cl to form ClO. By adjusting the gas flow rates to yield an excess of Cl atoms, all the ozone is combined. ClO concentration is measured with UV absorption at 2577 and 2772 A and a deuterium lamp as a continuous source. Total cell pressure is 5.5 torr. The diode laser spectrometer is calibrated with ammonia lines as a reference where possible. The frequency of vibration-rotation lines is expressed as a function of rotational quantum number, fundamental vibrational frequency, and the rotational constants of the upper and lower vibrational states.

  18. The Ã1Au state of acetylene: ungerade vibrational levels in the region 45,800-46,550 cm-1

    Science.gov (United States)

    Baraban, Joshua H.; Changala, P. Bryan; Merer, Anthony J.; Steeves, Adam H.; Bechtel, Hans A.; Field, Robert W.

    2012-11-01

    The ungerade vibrational levels of the ? 1Au (S1-trans) state of C2H2 lying in the region 45,800-46,550 cm-1 have been assigned from IR-UV double resonance spectra. The aim has been to classify the complete manifold of S1-trans levels in this region, so as to facilitate the assignment of the bands of S1-cis C2H2. The rotational structure is complicated because of the overlapping of vibrational polyads with different Coriolis and Darling-Dennison parameters, but assignments have been possible with the help of predictions based on the properties of polyads at lower energy. An important result is that the analysis of the (1141, 1161) polyad determines the anharmonicity constants x 14 and x 16, which will be needed to proceed to higher energies. Some regions of impressive complexity occur. Among these is the band given by the 3361, K = 1 state at 45,945 cm-1, where a three-level interaction within the S1 state is confused by triplet perturbations. Several probable S1-cis states have been observed, including cis-62, K = 1; this vibrational level appears to show a K-staggering, of the type that arises when quantum mechanical tunnelling through the barrier to cis-trans isomerization is possible. The total number of identified cis vibrational states is now 6 out of an expected 10 up to the energies discussed in this paper.

  19. Ultrafast Dynamics of Vibration-Cavity Polariton Modes

    Science.gov (United States)

    Owrutsky, Jeff; Dunkelberger, Adam; Fears, Kenan; Simpkins, Blake; Spann, Bryan

    Vibrational modes of polymers, liquids, and solvated compounds can couple to Fabry-Perot optical cavity modes, creating vibration-cavity polariton modes whose energy tunes with the cavity length and incidence angle. Here we report the pump-probe infrared spectroscopy of vibration-cavity polaritons in cavity-coupled W(CO)6. At very early times, we observe quantum beating between the two polariton states find an anomalously low degree of excitation. After the quantum beating, we directly observe spectroscopic signatures of excited-state absorption from both polariton modes and uncoupled reservoir modes. An analytical expression for cavity transmission reproduces these signatures. The upper polariton mode relaxes ten times more quickly than the uncoupled vibrational mode and the polariton lifetime depends on the angle of incidence of the infrared pulses. Coupling to an optical cavity gives a means of control of the lifetime of vibration-cavity polaritons and could have important implications for chemical reactivity in vibrationally excited molecules.

  20. Quantum optics including noise reduction, trapped ions, quantum trajectories, and decoherence

    CERN Document Server

    Orszag, Miguel

    2016-01-01

    This new edition gives a unique and broad coverage of basic laser-related phenomena that allow graduate students, scientists and engineers to carry out research in quantum optics and laser physics. It covers quantization of the electromagnetic field, quantum theory of coherence, atom-field interaction models, resonance fluorescence, quantum theory of damping, laser theory using both the master equation and the Langevin theory, the correlated emission laser, input-output theory with applications to non-linear optics, quantum trajectories, quantum non-demolition measurements and generation of non-classical vibrational states of ions in a Paul trap. In this third edition, there is an enlarged chapter on trapped ions, as well as new sections on quantum computing and quantum bits with applications. There is also additional material included for quantum processing and entanglement. These topics are presented in a unified and didactic manner, each chapter is accompanied by specific problems and hints to solutions to...

  1. A novel feature of intramolecular vibrational redistribution in propargyl alcohol and propargyl amine

    Science.gov (United States)

    Makarov, A. A.; Malinovsky, A. L.; Ryabov, E. A.

    2008-09-01

    Intramolecular vibrational redistribution (IVR) from the terminal acetylene mode νHC has been studied for four molecules: H -CC-CH3 (propyne), H -CC-CH2Cl (propargyl chloride), H -CC-CH2OH (propargyl alcohol), and H -CC-CH2NH2 (propargyl amine). The experiments were performed with the room-temperature gases. The transition ∣0⟩→∣1⟩ in the mode νHC was pumped by a short laser pulse. Anti-Stokes spontaneous Raman scattering was used as a probe. The measured parameters were the de-excitation rate W and the dilution factor σ defined as the relative level of the residual energy in the νHC mode at long pump-probe delay times. The pair of these values {W,σ} allowed us to determine the density ρeff of those vibrational-rotational states, which are involved in IVR from state ∣1⟩. For two molecules, HCCCH3 and HCCCH2Cl, the experimental results were consistent with the suggestion that all close vibrational-rotational states with the same total angular momentum J and symmetry participate in the IVR regardless of the other rotator quantum number K (in the case of HCCCH3) or Ka (in the case of HCCCH2Cl) and the vibrational quantum numbers as well. For the other two molecules, HCCCH2OH and HCCCH2NH2, this effect was also present, yet the experimental results revealed certain restrictions. We have obtained a satisfactory theoretical fit with the assumption that the low-frequency torsion vibration of the hydrogen atom in the hydroxyl group (in the case of HCCCH2OH) or hydrogen atoms in the amine group (in the case of HCCCH2NH2) does not participate in the IVR. This assumption can be treated as a challenge to future studies of these molecules by high-resolution spectroscopy and various double-resonance and pump-probe techniques.

  2. A novel feature of intramolecular vibrational redistribution in propargyl alcohol and propargyl amine.

    Science.gov (United States)

    Makarov, A A; Malinovsky, A L; Ryabov, E A

    2008-09-21

    Intramolecular vibrational redistribution (IVR) from the terminal acetylene mode nu(HC) has been studied for four molecules: H-C[Triple Bond]C-CH(3) (propyne), H-C[Triple Bond]C-CH(2)Cl (propargyl chloride), H-C[Triple Bond]C-CH(2)OH (propargyl alcohol), and H-C[Triple Bond]C-CH(2)NH(2) (propargyl amine). The experiments were performed with the room-temperature gases. The transition mid R:0-->mid R:1 in the mode nu(HC) was pumped by a short laser pulse. Anti-Stokes spontaneous Raman scattering was used as a probe. The measured parameters were the de-excitation rate W and the dilution factor sigma defined as the relative level of the residual energy in the nu(HC) mode at long pump-probe delay times. The pair of these values {W,sigma} allowed us to determine the density rho(eff) of those vibrational-rotational states, which are involved in IVR from state mid R:1. For two molecules, HCCCH(3) and HCCCH(2)Cl, the experimental results were consistent with the suggestion that all close vibrational-rotational states with the same total angular momentum J and symmetry participate in the IVR regardless of the other rotator quantum number K (in the case of HCCCH(3)) or K(a) (in the case of HCCCH(2)Cl) and the vibrational quantum numbers as well. For the other two molecules, HCCCH(2)OH and HCCCH(2)NH(2), this effect was also present, yet the experimental results revealed certain restrictions. We have obtained a satisfactory theoretical fit with the assumption that the low-frequency torsion vibration of the hydrogen atom in the hydroxyl group (in the case of HCCCH(2)OH) or hydrogen atoms in the amine group (in the case of HCCCH(2)NH(2)) does not participate in the IVR. This assumption can be treated as a challenge to future studies of these molecules by high-resolution spectroscopy and various double-resonance and pump-probe techniques.

  3. Model Indepedent Vibration Control

    OpenAIRE

    Yuan, Jing

    2010-01-01

    A NMIFC system is proposed for broadband vibration control. It has two important features. Feature F1 is that the NMIFC is stable without introducing any invasive effects, such as probing signals or controller perturbations, into the vibration system; feature F2 is

  4. Vibration Theory, Vol. 3

    DEFF Research Database (Denmark)

    Nielsen, Søren R. K.

    The present textbook has been written based on previous lecture notes for a course on stochastic vibration theory that is being given on the 9th semester at Aalborg University for M. Sc. students in structural engineering. The present 4th edition of this textbook on linear stochastic vibration...

  5. Vibration Theory, Vol. 3

    DEFF Research Database (Denmark)

    Nielsen, Søren R. K.

    The present textbook has been written based on previous lecture notes for a course on stochastic vibration theory that is being given on the 9th semester at Aalborg University for M. Sc. students in structural engineering. The present 2nd edition of this textbook on linear stochastic vibration...

  6. Hydroelastic Vibrations of Ships

    DEFF Research Database (Denmark)

    Jensen, Jørgen Juncher; Folsø, Rasmus

    2002-01-01

    A formula for the necessary hull girder bending stiffness required to avoid serious springing vibrations is derived. The expression takes into account the zero crossing period of the waves, the ship speed and main dimensions. For whipping vibrations the probability of exceedance for the combined...

  7. Gearbox vibration diagnostic analyzer

    Science.gov (United States)

    1992-01-01

    This report describes the Gearbox Vibration Diagnostic Analyzer installed in the NASA Lewis Research Center's 500 HP Helicopter Transmission Test Stand to monitor gearbox testing. The vibration of the gearbox is analyzed using diagnostic algorithms to calculate a parameter indicating damaged components.

  8. Mechanical vibration and shock analysis, sinusoidal vibration

    CERN Document Server

    Lalanne, Christian

    2014-01-01

    Everything engineers need to know about mechanical vibration and shock...in one authoritative reference work! This fully updated and revised 3rd edition addresses the entire field of mechanical vibration and shock as one of the most important types of load and stress applied to structures, machines and components in the real world. Examples include everything from the regular and predictable loads applied to turbines, motors or helicopters by the spinning of their constituent parts to the ability of buildings to withstand damage from wind loads or explosions, and the need for cars to m

  9. Quantum Multiverses

    OpenAIRE

    Hartle, James B.

    2018-01-01

    A quantum theory of the universe consists of a theory of its quantum dynamics and a theory of its quantum state The theory predicts quantum multiverses in the form of decoherent sets of alternative histories describing the evolution of the universe's spacetime geometry and matter content. These consequences follow: (a) The universe generally exhibits different quantum multiverses at different levels and kinds of coarse graining. (b) Quantum multiverses are not a choice or an assumption but ar...

  10. Quantum computing

    OpenAIRE

    Traub, Joseph F.

    2014-01-01

    The aim of this thesis was to explain what quantum computing is. The information for the thesis was gathered from books, scientific publications, and news articles. The analysis of the information revealed that quantum computing can be broken down to three areas: theories behind quantum computing explaining the structure of a quantum computer, known quantum algorithms, and the actual physical realizations of a quantum computer. The thesis reveals that moving from classical memor...

  11. Vibrations of rotating machinery

    CERN Document Server

    Matsushita, Osami; Kanki, Hiroshi; Kobayashi, Masao; Keogh, Patrick

    2017-01-01

    This book opens with an explanation of the vibrations of a single degree-of-freedom (dof) system for all beginners. Subsequently, vibration analysis of multi-dof systems is explained by modal analysis. Mode synthesis modeling is then introduced for system reduction, which aids understanding in a simplified manner of how complicated rotors behave. Rotor balancing techniques are offered for rigid and flexible rotors through several examples. Consideration of gyroscopic influences on the rotordynamics is then provided and vibration evaluation of a rotor-bearing system is emphasized in terms of forward and backward whirl rotor motions through eigenvalue (natural frequency and damping ratio) analysis. In addition to these rotordynamics concerning rotating shaft vibration measured in a stationary reference frame, blade vibrations are analyzed with Coriolis forces expressed in a rotating reference frame. Other phenomena that may be assessed in stationary and rotating reference frames include stability characteristic...

  12. Quantum Mechanical Earth: Where Orbitals Become Orbits

    Science.gov (United States)

    Keeports, David

    2012-01-01

    Macroscopic objects, although quantum mechanical by nature, conform to Newtonian mechanics under normal observation. According to the quantum mechanical correspondence principle, quantum behavior is indistinguishable from classical behavior in the limit of very large quantum numbers. The purpose of this paper is to provide an example of the…

  13. Nonlinear Dynamics In Quantum Physics -- Quantum Chaos and Quantum Instantons

    OpenAIRE

    Kröger, H.

    2003-01-01

    We discuss the recently proposed quantum action - its interpretation, its motivation, its mathematical properties and its use in physics: quantum mechanical tunneling, quantum instantons and quantum chaos.

  14. AASERT Supplement to Vibrational Sensing in Marine Invertebrates

    Science.gov (United States)

    1997-09-30

    Invertebrates 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT NUMBER 5e. TASK NUMBER 5f. WORK UNIT NUMBER...VIBRATIONAL SENSING IN MARINE INVERTEBRATES Peter A. Jumars School of Oceanography University of Washington Box 357940 Seattle, WA 98195-7940 (206) 543

  15. Quantum mechanics and the particles of nature. An outline for mathematicians

    Energy Technology Data Exchange (ETDEWEB)

    Sudbery, Anthony

    1986-01-01

    The book gives the basic theoretical concepts of quantum mechanics and particle physics, and is aimed at the final year undergraduates in mathematics or physics. The contents contain seven chapters on:-particles and forces, quantum statics, quantum dynamics, quantum systems, quantum metaphysics, quantum numbers and quantum fields.

  16. Interaction of spin and vibrations in transport through single-molecule magnets

    Directory of Open Access Journals (Sweden)

    Falk May

    2011-10-01

    Full Text Available We study electron transport through a single-molecule magnet (SMM and the interplay of its anisotropic spin with quantized vibrational distortions of the molecule. Based on numerical renormalization group calculations we show that, despite the longitudinal anisotropy barrier and small transverse anisotropy, vibrational fluctuations can induce quantum spin-tunneling (QST and a QST-Kondo effect. The interplay of spin scattering, QST and molecular vibrations can strongly enhance the Kondo effect and induce an anomalous magnetic field dependence of vibrational Kondo side-bands.

  17. Handbook of relativistic quantum chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Wenjian (ed.) [Peking Univ., Beijing (China). Center for Computational Science and Engineering

    2017-03-01

    This handbook focuses on the foundations of relativistic quantum mechanics and addresses a number of fundamental issues never covered before in a book. For instance: How can many-body theory be combined with quantum electrodynamics? How can quantum electrodynamics be interfaced with relativistic quantum chemistry? What is the most appropriate relativistic many-electron Hamiltonian? How can we achieve relativistic explicit correlation? How can we formulate relativistic properties? - just to name a few. Since relativistic quantum chemistry is an integral component of computational chemistry, this handbook also supplements the ''Handbook of Computational Chemistry''. Generally speaking, it aims to establish the 'big picture' of relativistic molecular quantum mechanics as the union of quantum electrodynamics and relativistic quantum chemistry. Accordingly, it provides an accessible introduction for readers new to the field, presents advanced methodologies for experts, and discusses possible future perspectives, helping readers understand when/how to apply/develop the methodologies.

  18. Structural Stability and Vibration

    DEFF Research Database (Denmark)

    Wiggers, Sine Leergaard; Pedersen, Pauli

    This book offers an integrated introduction to the topic of stability and vibration. Strikingly, it describes stability as a function of boundary conditions and eigenfrequency as a function of both boundary conditions and column force. Based on a post graduate course held by the author at the Uni......This book offers an integrated introduction to the topic of stability and vibration. Strikingly, it describes stability as a function of boundary conditions and eigenfrequency as a function of both boundary conditions and column force. Based on a post graduate course held by the author...... and their derivation, thus stimulating them to write interactive and dynamic programs to analyze instability and vibrational modes....

  19. Quantum radar

    CERN Document Server

    Lanzagorta, Marco

    2011-01-01

    This book offers a concise review of quantum radar theory. Our approach is pedagogical, making emphasis on the physics behind the operation of a hypothetical quantum radar. We concentrate our discussion on the two major models proposed to date: interferometric quantum radar and quantum illumination. In addition, this book offers some new results, including an analytical study of quantum interferometry in the X-band radar region with a variety of atmospheric conditions, a derivation of a quantum radar equation, and a discussion of quantum radar jamming.This book assumes the reader is familiar w

  20. Spectroscopy of Vibrational States in Diatomic Iodine Molecules

    Science.gov (United States)

    Mulholland, Mary; Harrill, Charles H.; Smith, R. Seth

    2015-04-01

    This project is focused on understanding the vibrational structure of iodine, which is a homonuclear diatomic molecule. A 20 mW, 532 nm cw diode laser was used to selectively excite neutral iodine molecules to a higher energy electronic state. By performing spectroscopy on the transitions from this state to a lower energy electronic state, the data only showed those vibrational bands which connect the two electronic states. Since a number of vibrational levels are populated in the higher energy electronic state, the transitions to all of the allowed vibrational levels in the lower energy electronic state provided sufficient data to determine the vibrational structures of both states. Emission spectra were collected with an Ocean Optics USB4000 Compact CCD Spectrometer. The spectrometer had a range of 500 - 770 nm with a resolution of approximately 0.5 nm and was sensitive enough to resolve the vibrational states in diatomic iodine molecules. The results were compared to a simple harmonic oscillator model.

  1. Thermal vibrational convection in a two-phase stratified liquid

    Science.gov (United States)

    Chang, Qingming; Alexander, J. Iwan D.

    2007-05-01

    The response of a two-phase stratified liquid system subject to a vibration parallel to an imposed temperature gradient is analyzed using a hybrid thermal lattice Boltzmann method (HTLB). The vibrations considered correspond to sinusoidal translations of a rigid cavity at a fixed frequency. The layers are thermally and mechanically coupled. Interaction between gravity-induced and vibration-induced thermal convection is studied. The ability of the applied vibration to enhance the flow, heat transfer and interface distortion is investigated. For the range of conditions investigated, the results reveal that the effect of the vibrational Rayleigh number and vibrational frequency on a two-phase stratified fluid system is much different from that for a single-phase fluid system. Comparisons of the response of a two-phase stratified fluid system with a single-phase fluid system are discussed. To cite this article: Q. Chang, J.I.D. Alexander, C. R. Mecanique 335 (2007).

  2. Vibration Analysis and the Accelerometer

    Science.gov (United States)

    Hammer, Paul

    2011-01-01

    Have you ever put your hand on an electric motor or motor-driven electric appliance and felt it vibrate? Ever wonder why it vibrates? What is there about the operation of the motor, or the object to which it is attached, that causes the vibrations? Is there anything "regular" about the vibrations, or are they the result of random causes? In this…

  3. Entangled states in quantum mechanics

    Science.gov (United States)

    Ruža, Jānis

    2010-01-01

    In some circles of quantum physicists, a view is maintained that the nonseparability of quantum systems-i.e., the entanglement-is a characteristic feature of quantum mechanics. According to this view, the entanglement plays a crucial role in the solution of quantum measurement problem, the origin of the “classicality” from the quantum physics, the explanation of the EPR paradox by a nonlocal character of the quantum world. Besides, the entanglement is regarded as a cornerstone of such modern disciplines as quantum computation, quantum cryptography, quantum information, etc. At the same time, entangled states are well known and widely used in various physics areas. In particular, this notion is widely used in nuclear, atomic, molecular, solid state physics, in scattering and decay theories as well as in other disciplines, where one has to deal with many-body quantum systems. One of the methods, how to construct the basis states of a composite many-body quantum system, is the so-called genealogical decomposition method. Genealogical decomposition allows one to construct recurrently by particle number the basis states of a composite quantum system from the basis states of its forming subsystems. These coupled states have a structure typical for entangled states. If a composite system is stable, the internal structure of its forming basis states does not manifest itself in measurements. However, if a composite system is unstable and decays onto its forming subsystems, then the measurables are the quantum numbers, associated with these subsystems. In such a case, the entangled state has a dynamical origin, determined by the Hamiltonian of the corresponding decay process. Possible correlations between the quantum numbers of resulting subsystems are determined by the symmetries-conservation laws of corresponding dynamical variables, and not by the quantum entanglement feature.

  4. Surface Vibration Reconstruction using Inverse Numerical Acoustics

    Directory of Open Access Journals (Sweden)

    F. Martinus

    2003-05-01

    Full Text Available This paper explores the use of inverse numerical acoustics to reconstruct the surface vibration of a noise source. Inverse numerical acoustics is mainly used for source identification. This approach uses the measured sound pressure at a set of field points and the Helmholtz integral equation to reconstruct the normal surface velocity. The number of sound pressure measurements is considerably less than the number of surface vibration nodes. An overview of inverse numerical acoustics is presented and compared with other holography techniques such as nearfield acoustical holography and the Helmholtz equation least squares method. In order to obtain an acceptable reproduction of the surface vibration, several critical factors such as the field point selection and the effect of experimental errors have to be handled properly. Other practical considerations such as the use of few measured velocities and regularization techniques will also be presented. Examples will include a diesel engine, a transmission housing and an engine cover.

  5. Towards quantum chemistry on a quantum computer.

    Science.gov (United States)

    Lanyon, B P; Whitfield, J D; Gillett, G G; Goggin, M E; Almeida, M P; Kassal, I; Biamonte, J D; Mohseni, M; Powell, B J; Barbieri, M; Aspuru-Guzik, A; White, A G

    2010-02-01

    Exact first-principles calculations of molecular properties are currently intractable because their computational cost grows exponentially with both the number of atoms and basis set size. A solution is to move to a radically different model of computing by building a quantum computer, which is a device that uses quantum systems themselves to store and process data. Here we report the application of the latest photonic quantum computer technology to calculate properties of the smallest molecular system: the hydrogen molecule in a minimal basis. We calculate the complete energy spectrum to 20 bits of precision and discuss how the technique can be expanded to solve large-scale chemical problems that lie beyond the reach of modern supercomputers. These results represent an early practical step toward a powerful tool with a broad range of quantum-chemical applications.

  6. Quantum Computing and Shor`s Factoring Algorithm

    OpenAIRE

    Volovich, Igor V.

    2001-01-01

    Lectures on quantum computing. Contents: Algorithms. Quantum circuits. Quantum Fourier transform. Elements of number theory. Modular exponentiation. Shor`s algorithm for finding the order. Computational complexity of Schor`s algorithm. Factoring integers. NP-complete problems.

  7. Vibrations and Stability

    DEFF Research Database (Denmark)

    Thomsen, Jon Juel

    About this textbook An ideal text for students that ties together classical and modern topics of advanced vibration analysis in an interesting and lucid manner. It provides students with a background in elementary vibrations with the tools necessary for understanding and analyzing more complex...... dynamical phenomena that can be encountered in engineering and scientific practice. It progresses steadily from linear vibration theory over various levels of nonlinearity to bifurcation analysis, global dynamics and chaotic vibrations. It trains the student to analyze simple models, recognize nonlinear...... phenomena and work with advanced tools such as perturbation analysis and bifurcation analysis. Explaining theory in terms of relevant examples from real systems, this book is user-friendly and meets the increasing interest in non-linear dynamics in mechanical/structural engineering and applied mathematics...

  8. Lorentz quantum mechanics

    Science.gov (United States)

    Zhang, Qi; Wu, Biao

    2018-01-01

    We present a theoretical framework for the dynamics of bosonic Bogoliubov quasiparticles. We call it Lorentz quantum mechanics because the dynamics is a continuous complex Lorentz transformation in complex Minkowski space. In contrast, in usual quantum mechanics, the dynamics is the unitary transformation in Hilbert space. In our Lorentz quantum mechanics, three types of state exist: space-like, light-like and time-like. Fundamental aspects are explored in parallel to the usual quantum mechanics, such as a matrix form of a Lorentz transformation, and the construction of Pauli-like matrices for spinors. We also investigate the adiabatic evolution in these mechanics, as well as the associated Berry curvature and Chern number. Three typical physical systems, where bosonic Bogoliubov quasi-particles and their Lorentz quantum dynamics can arise, are presented. They are a one-dimensional fermion gas, Bose–Einstein condensate (or superfluid), and one-dimensional antiferromagnet.

  9. Quantum Communication with Photons

    Science.gov (United States)

    Krenn, Mario; Malik, Mehul; Scheidl, Thomas; Ursin, Rupert; Zeilinger, Anton

    The secure communication of information plays an ever increasing role in our society today. Classical methods of encryption inherently rely on the difficulty of solving a problem such as finding prime factors of large numbers and can, in principle, be cracked by a fast enough machine. The burgeoning field of quantum communication relies on the fundamental laws of physics to offer unconditional information security. Here we introduce the key concepts of quantum superposition and entanglement as well as the no-cloning theorem that form the basis of this field. Then, we review basic quantum communication schemes with single and entangled photons and discuss recent experimental progress in ground and space-based quantum communication. Finally, we discuss the emerging field of high-dimensional quantum communication, which promises increased data rates and higher levels of security than ever before. We discuss recent experiments that use the orbital angular momentum of photons for sharing large amounts of information in a secure fashion.

  10. Inductive Supervised Quantum Learning

    Science.gov (United States)

    Monràs, Alex; Sentís, Gael; Wittek, Peter

    2017-05-01

    In supervised learning, an inductive learning algorithm extracts general rules from observed training instances, then the rules are applied to test instances. We show that this splitting of training and application arises naturally, in the classical setting, from a simple independence requirement with a physical interpretation of being nonsignaling. Thus, two seemingly different definitions of inductive learning happen to coincide. This follows from the properties of classical information that break down in the quantum setup. We prove a quantum de Finetti theorem for quantum channels, which shows that in the quantum case, the equivalence holds in the asymptotic setting, that is, for large numbers of test instances. This reveals a natural analogy between classical learning protocols and their quantum counterparts, justifying a similar treatment, and allowing us to inquire about standard elements in computational learning theory, such as structural risk minimization and sample complexity.

  11. Fast Quantum Rabi Model with Trapped Ions.

    Science.gov (United States)

    Moya-Cessa, Héctor M

    2016-12-12

    We show how to produce a fast quantum Rabi model with trapped ions. Its importance resides not only in the acceleration of the phenomena that may be achieved with these systems, from quantum gates to the generation of nonclassical states of the vibrational motion of the ion, but also in reducing unwanted effects such as the decay of coherences that may appear in such systems.

  12. Quantum information with Rydberg atoms

    DEFF Research Database (Denmark)

    Saffman, Mark; Walker, T.G.; Mølmer, Klaus

    2010-01-01

    Rydberg atoms with principal quantum number n»1 have exaggerated atomic properties including dipole-dipole interactions that scale as n4 and radiative lifetimes that scale as n3. It was proposed a decade ago to take advantage of these properties to implement quantum gates between neutral atom...... of multiqubit registers, implementation of robust light-atom quantum interfaces, and the potential for simulating quantum many-body physics. The advances of the last decade are reviewed, covering both theoretical and experimental aspects of Rydberg-mediated quantum information processing....

  13. Quantum CPU and Quantum Simulating

    OpenAIRE

    Wang, An Min

    1999-01-01

    Making use of an universal quantum network or QCPU proposed by me [6], some special quantum networks for simulating some quantum systems are given out. Specially, it is obtained that the quantum network for the time evolution operator which can simulate, in general, Schr\\"odinger equation.

  14. Quantum Computer Games: Quantum Minesweeper

    Science.gov (United States)

    Gordon, Michal; Gordon, Goren

    2010-01-01

    The computer game of quantum minesweeper is introduced as a quantum extension of the well-known classical minesweeper. Its main objective is to teach the unique concepts of quantum mechanics in a fun way. Quantum minesweeper demonstrates the effects of superposition, entanglement and their non-local characteristics. While in the classical…

  15. Differential reaction cross sections from rotationally resolved quantum scattering calculations: application to gas-phase S(N)2 reactions.

    Science.gov (United States)

    Hennig, Carsten; Schmatz, Stefan

    2012-10-05

    Differential reaction cross sections have been computed based on previous rotationally resolved time-independent quantum-mechanical scattering calculations for the complex-forming S(N)2 reaction Cl(-) + CH(3)Br → ClCH(3) + Br(-). The results show almost isotropic cross sections for reactant molecules with high rotational quantum numbers. Backward scattering is disfavoured for reaction out of states with small rotational excitation, in particular the rovibrational ground state. This is a quantum-mechanical effect (interference of partial waves) that can partly be rationalized by simple classical arguments. In particular for higher vibrational excitations, an umbrella effect can be observed that favours the backward direction. It can be explained by the strong enhancement of the reactivity by opening a direct mechanism. The ion-dipole interaction exerts a torque onto the molecule which carries out a rotation by about 90° and then completes the reaction.

  16. Energy levels and quantum states of [Leu]enkephalin conformations based on theoretical and experimental investigations

    DEFF Research Database (Denmark)

    Abdali, Salim; Jensen, Morten Østergaard; Bohr, Henrik

    2003-01-01

    This paper describes a theoretical and experimental study of [Leu]enkephalin conformations with respect to the quantum estates of the atomic structure of the peptide. Results from vibrational absorption measurements and quantum calculations are used to outline a quantum picture and to assign vibr...

  17. Quantum Hilbert matrices and orthogonal polynomials

    DEFF Research Database (Denmark)

    Andersen, Jørgen Ellegaard; Berg, Christian

    2009-01-01

    Using the notion of quantum integers associated with a complex number q≠0 , we define the quantum Hilbert matrix and various extensions. They are Hankel matrices corresponding to certain little q -Jacobi polynomials when |q|... of reciprocal Fibonacci numbers called Filbert matrices. We find a formula for the entries of the inverse quantum Hilbert matrix....

  18. RANDOMNESS of Numbers DEFINITION(QUERY:WHAT? V HOW?) ONLY Via MAXWELL-BOLTZMANN CLASSICAL-Statistics(MBCS) Hot-Plasma VS. Digits-Clumping Log-Law NON-Randomness Inversion ONLY BOSE-EINSTEIN QUANTUM-Statistics(BEQS) .

    Science.gov (United States)

    Siegel, Z.; Siegel, Edward Carl-Ludwig

    2011-03-01

    RANDOMNESS of Numbers cognitive-semantics DEFINITION VIA Cognition QUERY: WHAT???, NOT HOW?) VS. computer-``science" mindLESS number-crunching (Harrel-Sipser-...) algorithmics Goldreich "PSEUDO-randomness"[Not.AMS(02)] mea-culpa is ONLY via MAXWELL-BOLTZMANN CLASSICAL-STATISTICS(NOT FDQS!!!) "hot-plasma" REPULSION VERSUS Newcomb(1881)-Weyl(1914;1916)-Benford(1938) "NeWBe" logarithmic-law digit-CLUMPING/ CLUSTERING NON-Randomness simple Siegel[AMS Joint.Mtg.(02)-Abs. # 973-60-124] algebraic-inversion to THE QUANTUM and ONLY BEQS preferentially SEQUENTIALLY lower-DIGITS CLUMPING/CLUSTERING with d = 0 BEC, is ONLY VIA Siegel-Baez FUZZYICS=CATEGORYICS (SON OF TRIZ)/"Category-Semantics"(C-S), latter intersection/union of Lawvere(1964)-Siegel(1964)] category-theory (matrix: MORPHISMS V FUNCTORS) "+" cognitive-semantics'' (matrix: ANTONYMS V SYNONYMS) yields Siegel-Baez FUZZYICS=CATEGORYICS/C-S tabular list-format matrix truth-table analytics: MBCS RANDOMNESS TRUTH/EMET!!!

  19. Lambda-matrices and vibrating systems

    CERN Document Server

    Lancaster, Peter

    2002-01-01

    Features aspects and solutions of problems of linear vibrating systems with a finite number of degrees of freedom. Starts with development of necessary tools in matrix theory, followed by numerical procedures for relevant matrix formulations and relevant theory of differential equations. Minimum of mathematical abstraction; assumes a familiarity with matrix theory, elementary calculus. 1966 edition.

  20. Direct evidence for mode-specific vibrational energy relaxation from quantum time-dependent perturbation theory. III. The nu(4) and nu(7) modes of nonplanar nickel porphyrin models.

    Science.gov (United States)

    Zhang, Yong; Straub, John E

    2009-06-07

    The time scales and pathways of vibrational energy relaxation (VER) of the nu(4) and nu(7) modes of three nickel porphyrin models, nickel porphine (NiP), nickel protoporphyrin IX (Ni-heme), and nickel octaethylporphyrin (NiOEP), were studied using a non-Markovian time-dependent perturbation theory at the B3LYP/6-31G(d) level. When NiP is calculated with D(4h) symmetry, it has the planar structure and the same VER properties as ferrous iron porphine (FeP). The porphine cores of both Ni-heme and NiOEP were distorted from a planar geometry, assuming a nonplanar structure, similar to that of the heme structure in cytochrome c. The VER time scales of Ni-heme are found to be similar to those predicted for a planar iron heme, but the derived pathways have distinctly different features. In particular, the strong coupling between the nu(7) mode and the overtone of the approximately 350 cm(-1) gamma(7) mode, observed for planar porphyrins, is absent in both nonplanar nickel porphyrins. Direct energy exchange between the nu(4) and nu(7) modes is not observed in NiOEP, but is found to play an essential role in the VER of the nu(4) mode in Ni-heme. The Ni-heme isopropionate groups are involved in the dominant VER pathways of both the nu(4) and nu(7) modes of Ni-heme. However, in contrast with VER pathways derived in planar iron heme, the isopropionate groups are not observed to play an essential role relative to other side chains in spatially directing the vibrational energy flow.

  1. Quantum harmonically kicked environments

    Science.gov (United States)

    Custódio, M. S.; Strunz, W. T.; Beims, M. W.

    2017-11-01

    In this work we derive a generalized map which describes the time evolution of a quantum system coupled to a quantum environment composed by a finite number of free particles kicked harmonically at periodic times. Dissipation is introduced via the interaction between system and environment, which is switched on and off simultaneously at regular time intervals. The dynamics of the environmental particles occurs along rotated ellipsis in phase space and can be described by unrotated harmonic oscillators with a new frequency which depends on the kicking time. With the definition of a thermal bath we show that our quantum kicked environment induces an unusual fluctuation-dissipation relation.

  2. Quantum dot solar cells

    CERN Document Server

    Wu, Jiang

    2013-01-01

    The third generation of solar cells includes those based on semiconductor quantum dots. This sophisticated technology applies nanotechnology and quantum mechanics theory to enhance the performance of ordinary solar cells. Although a practical application of quantum dot solar cells has yet to be achieved, a large number of theoretical calculations and experimental studies have confirmed the potential for meeting the requirement for ultra-high conversion efficiency. In this book, high-profile scientists have contributed tutorial chapters that outline the methods used in and the results of variou

  3. Quantum cloning attacks against PUF-based quantum authentication systems

    Science.gov (United States)

    Yao, Yao; Gao, Ming; Li, Mo; Zhang, Jian

    2016-08-01

    With the advent of physical unclonable functions (PUFs), PUF-based quantum authentication systems have been proposed for security purposes, and recently, proof-of-principle experiment has been demonstrated. As a further step toward completing the security analysis, we investigate quantum cloning attacks against PUF-based quantum authentication systems and prove that quantum cloning attacks outperform the so-called challenge-estimation attacks. We present the analytical expression of the false-accept probability by use of the corresponding optimal quantum cloning machines and extend the previous results in the literature. In light of these findings, an explicit comparison is made between PUF-based quantum authentication systems and quantum key distribution protocols in the context of cloning attacks. Moreover, from an experimental perspective, a trade-off between the average photon number and the detection efficiency is discussed in detail.

  4. Geneva University - Superconducting flux quantum bits: fabricated quantum objects

    CERN Multimedia

    2007-01-01

    Ecole de physique Département de physique nucléaire et corspusculaire 24, Quai Ernest-Ansermet 1211 GENEVE 4 Tél: (022) 379 62 73 Fax: (022) 379 69 92 Lundi 29 janvier 2007 COLLOQUE DE LA SECTION DE PHYSIQUE 17 heures - Auditoire Stueckelberg Superconducting flux quantum bits: fabricated quantum objects Prof. Hans Mooij / Kavli Institute of Nanoscience, Delft University of Technology The quantum conjugate variables of a superconductor are the charge or number of Cooper pairs, and the phase of the order parameter. In circuits that contain small Josephson junctions, these quantum properties can be brought forward. In Delft we study so-called flux qubits, superconducting rings that contain three small Josephson junctions. When a magnetic flux of half a flux quantum is applied to the loop, there are two states with opposite circulating current. For suitable junction parameters, a quantum superposition of those macroscopic states is possible. Transitions can be driven with resonant microwaves. These quantum ...

  5. Rotational Dependence of Intramolecular Dynamics in Acetylene at Low Vibrational Excitation as Deduced from High Resolution Spectroscopy

    Science.gov (United States)

    Perry, David S.; Miller, Anthony; Amyay, B.; Fayt, A.; Herman, M.

    2010-06-01

    The link between energy-resolved spectra and time-resolved dynamics is explored quantitatively for acetylene (12C2H2), X1Σg+ with up to 8,600 wn of vibrational energy. This comparison is based on the extensive knowledge of the vibration-rotation energy levels and on the model Hamiltonian used to fit them to high precision. Simulated intensity borrowing features in high resolution absorption spectra and predicted survival probabilities for intramolecular vibrational redistribution (IVR) are first investigated for the ν4+ν5 and ν3 bright states, for J = 2, 30 and 100. The dependence of the results on the rotational quantum number and on the choice of vibrational bright state reflects the interplay of three kinds of off-diagonal resonances: anharmonic, rotational l-type, and Coriolis. The dynamical quantities used to characterize the calculated time-dependent dynamics are the dilution factor φd, the IVR lifetime τIVR, and the recurrence time τrec. For the two bright states ν3+2ν4 and 7ν4, the collisionless dynamics for thermally averaged rotational distributions at T = 27, 270 and 500 K were calculated from the available spectroscopic data. For the 7ν4 bright state, an apparent irreversible decay of is found. In all cases, the model Hamiltonian allows a detailed calculation of the energy flow among all of the coupled zeroth-order vibration-rotation states. B. Amyay, S. Robert, M. Herman, A. Fayt, B. Raghavendra, A. Moudens, J. Thiévin, B. Rowe, and R. Georges, J. Chem. Phys., 131, 114301 (2009).

  6. Visualizing picometric quantum ripples of ultrafast wave-packet interference.

    Science.gov (United States)

    Katsuki, Hiroyuki; Chiba, Hisashi; Girard, Bertrand; Meier, Christoph; Ohmori, Kenji

    2006-03-17

    Interference fringes in vibrating molecules are a signature of quantum mechanics, but are often so short-lived and closely spaced that they elude visualization. We have experimentally visualized dynamical quantum interferences, which appear and disappear in less than 100 femtoseconds in the iodine molecule synchronously with the periodic crossing of two counterpropagating nuclear wave packets. The obtained images have picometer and femtosecond spatiotemporal resolution, representing a detailed picture of the quantum interference.

  7. Quantum trajectories

    CERN Document Server

    Chattaraj, Pratim Kumar

    2010-01-01

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

  8. Quantum electrodynamics

    CERN Document Server

    Bialynicki-Birula, I; Ter Haar, D

    1975-01-01

    Quantum Electrodynamics focuses on the formulation of quantum electrodynamics (QED) in its most general and most abstract form: relativistic quantum field theory. It describes QED as a program, rather than a closed theory, that rests on the theory of the quantum Maxwellian field interacting with given (external) classical sources of radiation and on the relativistic quantum mechanics of electrons interacting with a given (external) classical electromagnetic field.Comprised of eight chapters, this volume begins with an introduction to the fundamental principles of quantum theory formulated in a

  9. Quantum Oscillators

    CERN Document Server

    Blaise, Paul

    2011-01-01

    An invaluable reference for an overall but simple approach to the complexity of quantum mechanics viewed through quantum oscillators Quantum oscillators play a fundamental role in many areas of physics; for instance, in chemical physics with molecular normal modes, in solid state physics with phonons, and in quantum theory of light with photons. Quantum Oscillators is a timely and visionary book which presents these intricate topics, broadly covering the properties of quantum oscillators which are usually dispersed in the literature at varying levels of detail and often combined with other p

  10. The absorption spectrum of D2O in the region of 0.97 μm: the 3ν1 + ν3 vibrational-rotational band

    Science.gov (United States)

    Serdyukov, V. I.; Sinitsa, L. N.

    2017-08-01

    The vibrational-rotational absorption spectrum of D2O in the range from 10 120 to 10 450 cm-1 is recorded on a Fourier transform spectrometer with a resolution of 0.05 cm-1. The measurements were performed using a multipass White cell with an optical path length of 24 m. A light-emitting diode with brightness higher than that of other devices was used as a radiation source. The signal-to-noise ratio was about 104. The spectrum is interpreted as consisting of lines of more than 400 transitions. The spectral characteristics of lines (centers, intensities, and half widths) are determined by fitting the Voigt profile parameters to experimental data by the least-squares method. The intensities of lines and the experimental rotational energy levels of the (301) vibrational state of the D2 16O molecule with high rotational quantum numbers are determined for the first time.

  11. Quantum Spin Gyroscope

    Science.gov (United States)

    2015-07-15

    Progress Report (ONR Award No. N00014-14-1-0804) Quantum Spin Gyroscope August 2014-July 2015 Report Type: Annual Report Primary Contact E-mail...Quantum Spin Gyroscope Grant/Contract Number: N00014-14-1-0804 Principal Investigator Name: Paola Cappellaro Program Manager: Richard Tommy Willis...Abstract Gyroscopes find wide application in everyday life, from navigation to rotation sensors in hand-held devices and automobiles. In addition, they can

  12. VLTI-UT vibrations effort and performances

    Science.gov (United States)

    Poupar, Sébastien; Haguenauer, Pierre; Alonso, Jaime; Schuhler, Nicolas; Henriquez, Juan-Pablo; Berger, Jean-Philippe; Bourget, Pierre; Brillant, Stephane; Castillo, Roberto; Gitton, Philippe; Gonte, Frederic; Di Lieto, Nicola; Lizon, Jean-Louis; Merand, Antoine; Woillez, Julien

    2014-07-01

    The ESO Very Large Telescope Interferometer (VLTI) using the Unit Telescope (UT) was strongly affected by vibrations since the first observations. Investigation by ESO on that subject had started in 2007, with a considerable effort since mid 2008. An important number of investigations on various sub-systems (On telescope: Guiding, Passive supports, Train Coude, insulation of electronics cabinets; On Instruments: dedicated campaign on each instruments with a special attention on the ones equipped with Close Cycle Cooler) were realized. Vibrations were not only recorded and analyzed using the usual accelerometers but also using on use sub-systems as InfRared Image Sensor (IRIS) and Multiple Applications Curvature Adaptive Optics (MACAO) and using a specific tool developed for vibrations measurements Mirror vibrAtion Metrology systeM for the Unit Telescope (MAMMUT). Those tools and systems have been used in order to improve the knowledge on telescope by finding sources. The sources whenever it was possible were damped. As known for years, instruments are still the principal sources of vibrations, for the majority of the UT. A special test in which 2 UTs instruments were completely shut down was realized to determine the minimum Optical Path Length (OPL) achievable. Vibrations is now a part of the instruments interface document and during the installation of any new instrument (KMOS) or system (AOF) a test campaign is realized. As a result some modifications (damping of CCC) can be asked in case of non-compliance. To ensure good operational conditions, levels of vibrations are regularly recorded to control any environmental change.

  13. Ultrafast Spectroscopy of Fano-Like Resonance between Optical Phonon and Excitons in CdSe Quantum Dots: Dependence of Coherent Vibrational Wave-Packet Dynamics on Pump Fluence

    Directory of Open Access Journals (Sweden)

    Victor Nadtochenko

    2017-11-01

    Full Text Available The main goal of the present work is to study the coherent phonon in strongly confined CdSe quantum dots (QDs under varied pump fluences. The main characteristics of coherent phonons (amplitude, frequency, phase, spectrogram of CdSe QDs under the red-edge pump of the excitonic band [1S(e-1S3/2(h] are reported. We demonstrate for the first time that the amplitude of the coherent optical longitudinal-optical (LO phonon at 6.16 THz excited in CdSe nanoparticles by a femtosecond unchirped pulse shows a non-monotone dependence on the pump fluence. This dependence exhibits the maximum at pump fluence ~0.8 mJ/cm2. At the same time, the amplitudes of the longitudinal acoustic (LA phonon mode at 0.55 THz and of the coherent wave packet of toluene at 15.6, 23.6 THz show a monotonic rise with the increase of pump fluence. The time frequency representation of an oscillating signal corresponding to LO phonons revealed by continuous wavelet transform (CWT shows a profound destructive quantum interference close to the origin of distinct (optical phonon and continuum-like (exciton quasiparticles. The CWT spectrogram demonstrates a nonlinear chirp at short time delays, where the chirp sign depends on the pump pulse fluence. The CWT spectrogram reveals an anharmonic coupling between optical and acoustic phonons.

  14. Ultrafast Spectroscopy of Fano-Like Resonance between Optical Phonon and Excitons in CdSe Quantum Dots: Dependence of Coherent Vibrational Wave-Packet Dynamics on Pump Fluence.

    Science.gov (United States)

    Nadtochenko, Victor; Denisov, Nikolay; Aybush, Arseniy; Gostev, Fedor; Shelaev, Ivan; Titov, Andrey; Umanskiy, Stanislav; Cherepanov, And Dmitry

    2017-11-04

    The main goal of the present work is to study the coherent phonon in strongly confined CdSe quantum dots (QDs) under varied pump fluences. The main characteristics of coherent phonons (amplitude, frequency, phase, spectrogram) of CdSe QDs under the red-edge pump of the excitonic band [1S(e)-1S 3/2 (h)] are reported. We demonstrate for the first time that the amplitude of the coherent optical longitudinal-optical (LO) phonon at 6.16 THz excited in CdSe nanoparticles by a femtosecond unchirped pulse shows a non-monotone dependence on the pump fluence. This dependence exhibits the maximum at pump fluence ~0.8 mJ/cm². At the same time, the amplitudes of the longitudinal acoustic (LA) phonon mode at 0.55 THz and of the coherent wave packet of toluene at 15.6, 23.6 THz show a monotonic rise with the increase of pump fluence. The time frequency representation of an oscillating signal corresponding to LO phonons revealed by continuous wavelet transform (CWT) shows a profound destructive quantum interference close to the origin of distinct (optical phonon) and continuum-like (exciton) quasiparticles. The CWT spectrogram demonstrates a nonlinear chirp at short time delays, where the chirp sign depends on the pump pulse fluence. The CWT spectrogram reveals an anharmonic coupling between optical and acoustic phonons.

  15. Physics within a quantum reference frame

    Energy Technology Data Exchange (ETDEWEB)

    Angelo, Renato M [Federal University of Parana, PO Box 19044, 81531-990, Curitiba, PR (Brazil); Brunner, Nicolas; Popescu, Sandu; Skrzypczyk, Paul [H H Wills Physics Laboratory, University of Bristol, Tyndall Avenue, Bristol, BS8 1TL (United Kingdom); Short, Anthony J, E-mail: renato@fisica.ufpr.br [DAMTP, Centre for Mathematical Sciences, Wilberforce Road, Cambridge, CB3 0WA (United Kingdom)

    2011-04-08

    We investigate the physics of quantum reference frames. Specifically, we study several simple scenarios involving a small number of quantum particles, whereby we promote one of these particles to the role of a quantum observer and ask what is the description of the rest of the system, as seen by this observer? We highlight the interesting aspects of such questions by presenting a number of apparent paradoxes. By unravelling these paradoxes, we obtain a better understanding of the physics of quantum reference frames.

  16. First-Principles DFT Studies of the Vibrational Properties of Germanene Nanoflakes

    Science.gov (United States)

    Richardson, Steven; Peroparde, Borja; Andrade, Xavier; Aspuru-Guzik, AláN.

    The germanium analogue of graphene, germanene, is a potentially new atomically thin quantum material which theory predicts will possess unique transport and optoelectronic properties. Recently, there have been a number of experimental efforts to successfully grow two-dimensional films of germanene on noble metal substrates using molecular beam epitaxy. In addition to this top-down approach of synthesizing large scale films of germanene, we would like to focus on a bottom-up approach where nanoflakes of germanene could be used as molecular seeds or precursors to grow large films of two-dimensional germanene. A knowledge of their infrared and Raman spectra will be critical for characterizing these germanene nanoflakes in future experiments. In this work we used density-functional theory (DFT) to compute the vibrational spectra of a selected number of lower order germanene nanoflakes (e.g. hexagermabenzene, germa-naphthalene, germa-anthracene, germa-phenanthrene, germa-pyrene, germa-tetracene, and germa-pentacene). Our DFT studies also reveal that these germanene nanoflakes are vibrationally stable with buckling of these molecules from their normal two-dimensional planar forms which exist in graphene nanoflakes. This research is supported by NSF Grant No. DMR-1231319.

  17. Global modeling of vibration-rotation spectra of the acetylene molecule

    Science.gov (United States)

    Lyulin, O. M.; Perevalov, V. I.

    2016-07-01

    The global modeling of both line positions and intensities of the acetylene molecule in the 50-9900 cm-1 region has been performed using the effective operators approach. The parameters of the polyad model of effective Hamiltonian have been fitted to the line positions collected from the literature. The used polyad model of effective Hamiltonian takes into account the centrifugal distortion, rotational and vibrational ℓ-doubling terms and both anharmonic and Coriolis resonance interaction operators arising due to the approximate relations between the harmonic frequencies: ω1≈ω3≈5ω4≈5ω5 and ω2≈3ω4≈3ω5. The dimensionless weighted standard deviation of the fit is 2.8. The fitted set of 237 effective Hamiltonian parameters allowed reproducing 24,991 measured line positions of 494 bands with a root mean squares deviation 0.0037 cm-1. The eigenfunctions of the effective Hamiltonian corresponding to the fitted set of parameters were used to fit the observed line intensities collected from the literature for 15 series of transitions: ΔP = 0-13,15, where P=5V1+5V3 +3V2+V4+V5 is the polyad number (Vi are the principal vibrational quantum numbers). The fitted sets of the effective dipole moment parameters reproduce the observed line intensities within their experimental uncertainties 2-20%.

  18. Molecular properties from combined QM/MM methods. I. Analytical second derivative and vibrational calculations

    Science.gov (United States)

    Cui, Qiang; Karplus, Martin

    2000-01-01

    Analytical second derivatives for combined QM/MM calculations have been formulated and implemented in the CHARMM program interfaced with the ab initio quantum mechanical GAMESS and CADPAC programs. This makes possible evaluation of vibrational frequencies and infrared intensities in large systems that cannot be treated effectively by QM or MM alone; examples are polarizable molecules in solution and substrates or transition states in enzymes. Test calculations on a number of systems, including formamide in water, butanol, a model transition state structure for triosephosphate isomerase and the active site model of myoglobin, show that the MM description of the environment can capture much of its polarization effects on the QM region. Thus the implementation of analytical second derivatives within the QM/MM framework has considerable potential for the study of large systems.

  19. Quantum robots and quantum computers

    Energy Technology Data Exchange (ETDEWEB)

    Benioff, P.

    1998-07-01

    Validation of a presumably universal theory, such as quantum mechanics, requires a quantum mechanical description of systems that carry out theoretical calculations and systems that carry out experiments. The description of quantum computers is under active development. No description of systems to carry out experiments has been given. A small step in this direction is taken here by giving a description of quantum robots as mobile systems with on board quantum computers that interact with different environments. Some properties of these systems are discussed. A specific model based on the literature descriptions of quantum Turing machines is presented.

  20. Vibration exposure and prevention in Japan.

    Science.gov (United States)

    Futatsuka, M; Ueno, T; Yamada, S

    1994-05-01

    Working conditions of vibration exposure have generally improved, but many difficult problems must be solved such as (1) hygienic improvements in a variety of vibrating tools; (2) improving working conditions, for example, by limiting the time of operation in spite of economic difficulties such as those faced by those who work on a piece rate basis; (3) gathering more complete information about the risk population because of the large number of self-employed in informal employment sectors; and (4) finding work places after rehabilitation for patients, particularly in mountainous rural areas or in small scale industries. Historical observation of vibration and preventive measures in Japanese national forests was presented on the basis of the results of a retrospective cohort study in Kyushu, Japan. Prevalence rate of VWF remarkably changed from 58.4% in the groups that began to operate chain saws in 1960 to only a few cases in the groups who started the operation after 1971. When we compare the relationships between the results of long term cohort study and the consequences of preventive measures of vibration syndrome, the most important factor is the decrease of vibration exposure (improvement in chain saws plus the time restriction system). The comprehensive prevention system used in Japanese national forests consists of the following: (1) Health care system; (2) Work regulation system; (3) System for improving mechanized tools; (4) Warming system to protect against cold conditions; and (5) Education and training system.

  1. Quantum Darwinism

    Energy Technology Data Exchange (ETDEWEB)

    Zurek, Wojciech H [Los Alamos National Laboratory

    2008-01-01

    Quantum Darwinism - proliferation, in the environment, of multiple records of selected states of the system (its information-theoretic progeny) - explains how quantum fragility of individual state can lead to classical robustness of their multitude.

  2. Quantum cryptography

    OpenAIRE

    Gisin, Nicolas; Ribordy, Grégoire; Tittel, Wolfgang; Zbinden, Hugo

    2002-01-01

    Quantum cryptography could well be the first application of quantum mechanics at the individual quanta level. The very fast progress in both theory and experiments over the recent years are reviewed, with emphasis on open questions and technological issues.

  3. Quantum mechanics a comprehensive text for chemistry

    CERN Document Server

    Arora, Kishor

    2010-01-01

    This book contains 14 chapters. The text includes the inadequacy of classical mechanics and covers basic and fundamental concepts of quantum mechanics including concepts of transitional, vibration rotation and electronic energies, introduction to concepts of angular momenta, approximatemethods and their application concepts related to electron spin, symmetery concepts and quantum mechanics and ultimately the book features the theories of chemical bonding and use of softwares in quantum mechanics. the text of the book is presented in a lucid manner with ample examples and illustrations wherever

  4. Quantum Econophysics

    OpenAIRE

    Esteban Guevara Hidalgo

    2006-01-01

    The relationships between game theory and quantum mechanics let us propose certain quantization relationships through which we could describe and understand not only quantum but also classical, evolutionary and the biological systems that were described before through the replicator dynamics. Quantum mechanics could be used to explain more correctly biological and economical processes and even it could encloses theories like games and evolutionary dynamics. This could make quantum mechanics a...

  5. Quantum cryptography

    NARCIS (Netherlands)

    S. Fehr (Serge)

    2010-01-01

    textabstractQuantum cryptography makes use of the quantum-mechanical behavior of nature for the design and analysis of cryptographic schemes. Optimally (but not always), quantum cryptography allows for the design of cryptographic schemes whose security is guaranteed solely by the laws of nature.

  6. Vibrational spectroscopy of resveratrol

    Science.gov (United States)

    Billes, Ferenc; Mohammed-Ziegler, Ildikó; Mikosch, Hans; Tyihák, Ernő

    2007-11-01

    In this article the authors deal with the experimental and theoretical interpretation of the vibrational spectra of trans-resveratrol (3,5,4'-trihydroxy- trans-stilbene) of diverse beneficial biological activity. Infrared and Raman spectra of the compound were recorded; density functional calculations were carried out resulting in the optimized geometry and several properties of the molecule. Based on the calculated force constants, a normal coordinate analysis yielded the character of the vibrational modes and the assignment of the measured spectral bands.

  7. Bumblebee vibration activated foraging

    OpenAIRE

    Su, Dan Kuan-Nien

    2009-01-01

    The ability use vibrational signals to activate nestmate foraging is found in the highly social bees, stingless bees and honey bees, and has been hypothesized to exist in the closely related, primitively eusocial bumble bees. We provide the first strong and direct evidence that this is correct. Inside the nest, bumble bee foragers produce brief bursts of vibration (foraging activation pulses) at 594.5 Hz for 63±26 ms (velocityRMS=0.46±0.02mm/s, forceRMS=0.8±0.2 mN. Production of these vibrati...

  8. Man-Induced Vibrations

    DEFF Research Database (Denmark)

    Jönsson, Jeppe; Hansen, Lars Pilegaard

    1994-01-01

    concerned with spectator-induced vertical vibrations on grandstands. The idea is to use impulse response analysis and base the load description on the load impulse. If the method is feasable, it could be used in connection with the formulation of requirements in building codes. During the last two decades...... work has been done on the measurement of the exact load functions and related reponse analysis. A recent work using a spectral description has been performed by Per-Erik Erikson and includes a good literature survey. Bachmann and Ammann give a good overview of vibrations caused by human activity. Other...

  9. Vibrations and waves

    CERN Document Server

    Kaliski, S

    2013-01-01

    This book gives a comprehensive overview of wave phenomena in different media with interacting mechanical, electromagnetic and other fields. Equations describing wave propagation in linear and non-linear elastic media are followed by equations of rheological models, models with internal rotational degrees of freedom and non-local interactions. Equations for coupled fields: thermal, elastic, electromagnetic, piezoelectric, and magneto-spin with adequate boundary conditions are also included. Together with its companion volume Vibrations and Waves. Part A: Vibrations this work provides a wealth

  10. Quantum effects in unimolecular reaction dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Gezelter, Joshua Daniel [Univ. of California, Berkeley, CA (United States)

    1995-12-01

    This work is primarily concerned with the development of models for the quantum dynamics of unimolecular isomerization and photodissociation reactions. We apply the rigorous quantum methodology of a Discrete Variable Representation (DVR) with Absorbing Boundary Conditions (ABC) to these models in an attempt to explain some very surprising results from a series of experiments on vibrationally excited ketene. Within the framework of these models, we are able to identify the experimental signatures of tunneling and dynamical resonances in the energy dependence of the rate of ketene isomerization. Additionally, we investigate the step-like features in the energy dependence of the rate of dissociation of triplet ketene to form 3B1 CH2 + 1σ+ CO that have been observed experimentally. These calculations provide a link between ab initio calculations of the potential energy surfaces and the experimentally observed dynamics on these surfaces. Additionally, we develop an approximate model for the partitioning of energy in the products of photodissociation reactions of large molecules with appreciable barriers to recombination. In simple bond cleavage reactions like CH3COCl → CH3CO + Cl, the model does considerably better than other impulsive and statistical models in predicting the energy distribution in the products. We also investigate ways of correcting classical mechanics to include the important quantum mechanical aspects of zero-point energy. The method we investigate is found to introduce a number of undesirable dynamical artifacts including a reduction in the above-threshold rates for simple reactions, and a strong mixing of the chaotic and regular energy domains for some model problems. We conclude by discussing some of the directions for future research in the field of theoretical chemical dynamics.

  11. Disentangling electronic and vibrational coherence in the Phycocyanin-645 light-harvesting complex

    CERN Document Server

    Richards, Gethin H; Curmi, Paul M G; Davis, Jeffrey A

    2013-01-01

    Energy transfer between chromophores in photosynthesis proceeds with near unity quantum efficiency. Understanding the precise mechanisms of these processes is made difficult by the complexity of the electronic structure and interactions with different vibrational modes. Two-dimensional spectroscopy has helped resolve some of the ambiguities and identified quantum effects that may be important for highly efficient energy transfer. Many questions remain, however, including whether the coherences observed are electronic and/or vibrational in nature and what role they play. We utilise a two-colour four-wave mixing experiment with control of the wavelength and polarization to selectively excite specific coherence pathways. For the light-harvesting complex PC645, from cryptophyte algae, we reveal and identify specific contributions from both electronic and vibrational coherences and determine an excited state structure based on two strongly-coupled electronic states and two vibrational modes. Separation of the cohe...

  12. Quantum Causal Graph Dynamics

    CERN Document Server

    Arrighi, Pablo

    2016-01-01

    Consider a graph having quantum systems lying at each node. Suppose that the whole thing evolves in discrete time steps, according to a global, unitary causal operator. By causal we mean that information can only propagate at a bounded speed, with respect to the distance given by the graph. Suppose, moreover, that the graph itself is subject to the evolution, and may be driven to be in a quantum superposition of graphs---in accordance to the superposition principle. We show that these unitary causal operators must decompose as a finite-depth circuit of local unitary gates. This unifies a result on Quantum Cellular Automata with another on Reversible Causal Graph Dynamics. Along the way we formalize a notion of causality which is valid in the context of quantum superpositions of time-varying graphs, and has a number of good properties. Keywords: Quantum Lattice Gas Automata, Block-representation, Curtis-Hedlund-Lyndon, No-signalling, Localizability, Quantum Gravity, Quantum Graphity, Causal Dynamical Triangula...

  13. Heterogeneous Dynamics of Coupled Vibrations

    NARCIS (Netherlands)

    Cringus, Dan; Jansen, Thomas I. C.; Pshenichnikov, Maxim S.; Schoenlein, RW; Corkum, P; DeSilvestri, S; Nelson, KA; Riedle, E

    2009-01-01

    Frequency-dependent dynamics of coupled stretch vibrations of a water molecule are revealed by 2D IR correlation spectroscopy. These are caused by non-Gaussian fluctuations of the environment around the individual OH stretch vibrations.

  14. Quantum radiation from quantum gravitational collapse

    Energy Technology Data Exchange (ETDEWEB)

    Vachaspati, Tanmay [Institute for Advanced Study, Princeton, NJ 08540 (United States); CERCA, Department of Physics, Case Western Reserve University, Cleveland, OH 44106-7079 (United States); Stojkovic, Dejan [HEPCOS, Department of Physics, SUNY at Buffalo, Buffalo, NY 14260-1500 (United States); CERCA, Department of Physics, Case Western Reserve University, Cleveland, OH 44106-7079 (United States)], E-mail: ds77@buffalo.edu

    2008-05-15

    We study quantum radiation emitted during the collapse of a quantized, gravitating, spherical domain wall. The amount of radiation emitted during collapse now depends on the wavefunction of the collapsing wall and the background spacetime. If the wavefunction is initially in the form of a sharp wavepacket, the expectation value of the particle occupation number is determined as a function of time and frequency. The results are in good agreement with our earlier semiclassical analysis and show that the quantum radiation is non-thermal and evaporation accompanies gravitational collapse.

  15. Quantum radiation from quantum gravitational collapse

    Science.gov (United States)

    Vachaspati, Tanmay; Stojkovic, Dejan

    2008-05-01

    We study quantum radiation emitted during the collapse of a quantized, gravitating, spherical domain wall. The amount of radiation emitted during collapse now depends on the wavefunction of the collapsing wall and the background spacetime. If the wavefunction is initially in the form of a sharp wavepacket, the expectation value of the particle occupation number is determined as a function of time and frequency. The results are in good agreement with our earlier semiclassical analysis and show that the quantum radiation is non-thermal and evaporation accompanies gravitational collapse.

  16. Quantum Kolmogorov complexity and the quantum Turing machine

    Energy Technology Data Exchange (ETDEWEB)

    Mueller, M.

    2007-08-31

    The purpose of this thesis is to give a formal definition of quantum Kolmogorov complexity and rigorous mathematical proofs of its basic properties. Classical Kolmogorov complexity is a well-known and useful measure of randomness for binary strings. In recent years, several different quantum generalizations of Kolmogorov complexity have been proposed. The most natural generalization is due to A. Berthiaume et al. (2001), defining the complexity of a quantum bit (qubit) string as the length of the shortest quantum input for a universal quantum computer that outputs the desired string. Except for slight modifications, it is this definition of quantum Kolmogorov complexity that we study in this thesis. We start by analyzing certain aspects of the underlying quantum Turing machine (QTM) model in a more detailed formal rigour than was done previously. Afterwards, we apply these results to quantum Kolmogorov complexity. Our first result is a proof of the existence of a universal QTM which simulates every other QTM for an arbitrary number of time steps and than halts with probability one. In addition, we show that every input that makes a QTM almost halt can be modified to make the universal QTM halt entirely, by adding at most a constant number of qubits. It follows that quantum Kolmogorov complexity has the invariance property, i.e. it depends on the choice of the universal QTM only up to an additive constant. Moreover, the quantum complexity of classical strings agrees with classical complexity, again up to an additive constant. The proofs are based on several analytic estimates. Furthermore, we prove several incompressibility theorems for quantum Kolmogorov complexity. Finally, we show that for ergodic quantum information sources, complexity rate and entropy rate coincide with probability one. The thesis is finished with an outlook on a possible application of quantum Kolmogorov complexity in statistical mechanics. (orig.)

  17. Quantum Darwinism

    Science.gov (United States)

    Zurek, Wojciech Hubert

    2009-03-01

    Quantum Darwinism describes the proliferation, in the environment, of multiple records of selected states of a quantum system. It explains how the quantum fragility of a state of a single quantum system can lead to the classical robustness of states in their correlated multitude; shows how effective `wave-packet collapse' arises as a result of the proliferation throughout the environment of imprints of the state of the system; and provides a framework for the derivation of Born's rule, which relates the probabilities of detecting states to their amplitudes. Taken together, these three advances mark considerable progress towards settling the quantum measurement problem.

  18. Quantum cheques

    Science.gov (United States)

    Moulick, Subhayan Roy; Panigrahi, Prasanta K.

    2016-06-01

    We propose the idea of a quantum cheque scheme, a cryptographic protocol in which any legitimate client of a trusted bank can issue a cheque, that cannot be counterfeited or altered in anyway, and can be verified by a bank or any of its branches. We formally define a quantum cheque and present the first unconditionally secure quantum cheque scheme and show it to be secure against any no-signalling adversary. The proposed quantum cheque scheme can been perceived as the quantum analog of Electronic Data Interchange, as an alternate for current e-Payment Gateways.

  19. Incorporating nuclear vibrational energies into the "atom in molecules" analysis: An analytical study.

    Science.gov (United States)

    Gharabaghi, Masumeh; Shahbazian, Shant

    2017-04-21

    The quantum theory of atoms in molecules (QTAIM) is based on the clamped nucleus paradigm and solely working with the electronic wavefunctions, so does not include nuclear vibrations in the AIM analysis. On the other hand, the recently extended version of the QTAIM, called the multi-component QTAIM (MC-QTAIM), incorporates both electrons and quantum nuclei, i.e., those nuclei treated as quantum waves instead of clamped point charges, into the AIM analysis using non-adiabatic wavefunctions. Thus, the MC-QTAIM is the natural framework to incorporate the role of nuclear vibrations into the AIM analysis. In this study, within the context of the MC-QTAIM, the formalism of including nuclear vibrational energy in the atomic basin energy is developed in detail and its contribution is derived analytically using the recently proposed non-adiabatic Hartree product nuclear wavefunction. It is demonstrated that within the context of this wavefunction, the quantum nuclei may be conceived pseudo-adiabatically as quantum oscillators and both isotropic harmonic and anisotropic anharmonic oscillator models are used to compute the zero-point nuclear vibrational energy contribution to the basin energies explicitly. Inspired by the results gained within the context of the MC-QTAIM analysis, a heuristic approach is proposed within the context of the QTAIM to include nuclear vibrational energy in the basin energy from the vibrational wavefunction derived adiabatically. The explicit calculation of the basin contribution of the zero-point vibrational energy using the uncoupled harmonic oscillator model leads to results consistent with those derived from the MC-QTAIM.

  20. Amplifying vibrational circular dichroism by manipulation of the electronic manifold.

    Science.gov (United States)

    Domingos, Sérgio R; Panman, Matthijs R; Bakker, Bert H; Hartl, Frantisek; Buma, Wybren J; Woutersen, Sander

    2012-01-11

    Vibrational circular dichroism is a powerful technique to study the stereochemistry of chiral molecules, but often suffers from small signal intensities. Electrochemical modulation of the energies of the electronically excited state manifold is now demonstrated to lead to an order of magnitude enhancement of the differential absorption. Quantum-chemical calculations show that increased mixing between ground and excited states is at the origin of this amplification. This journal is © The Royal Society of Chemistry 2012

  1. Modal simulation of gearbox vibration with experimental correlation

    Science.gov (United States)

    Choy, Fred K.; Ruan, Yeefeng F.; Zakrajsek, James J.; Oswald, Fred B.

    1992-01-01

    A newly developed global dynamic model was used to simulate the dynamics of a gear noise rig at NASA Lewis Research Center. Experimental results from the test rig were used to verify the analytical model. In this global dynamic model, the number of degrees of freedom of the system are reduced by transforming the system equations of motion into modal coordinates. The vibration of the individual gear-shaft system are coupled through the gear mesh forces. A three-dimensional, axial-lateral coupled, bearing model was used to couple the casing structural vibration to the gear-rotor dynamics. The coupled system of modal equations is solved to predict the resulting vibration at several locations on the test rig. Experimental vibration data was compared to the predicitions of the global dynamic model. There is excellent agreement between the vibration results from analysis and experiment.

  2. Composite Struts Would Damp Vibrations

    Science.gov (United States)

    Dolgin, Benjamin P.

    1991-01-01

    New design of composite-material (fiber/matrix laminate) struts increases damping of longitudinal vibrations without decreasing longitudinal stiffness or increasing weight significantly. Plies with opposing chevron patterns of fibers convert longitudinal vibrational stresses into shear stresses in intermediate viscoelastic layer, which dissipate vibrational energy. Composite strut stronger than aluminum strut of same weight and stiffness.

  3. Lectures on quantum mechanics

    CERN Document Server

    Weinberg, Steven

    2013-01-01

    Nobel Laureate Steven Weinberg combines his exceptional physical insight with his gift for clear exposition to provide a concise introduction to modern quantum mechanics. Ideally suited to a one-year graduate course, this textbook is also a useful reference for researchers. Readers are introduced to the subject through a review of the history of quantum mechanics and an account of classic solutions of the Schrödinger equation, before quantum mechanics is developed in a modern Hilbert space approach. The textbook covers many topics not often found in other books on the subject, including alternatives to the Copenhagen interpretation, Bloch waves and band structure, the Wigner–Eckart theorem, magic numbers, isospin symmetry, the Dirac theory of constrained canonical systems, general scattering theory, the optical theorem, the 'in-in' formalism, the Berry phase, Landau levels, entanglement and quantum computing. Problems are included at the ends of chapters, with solutions available for instructors at www.cam...

  4. Quantum theory of tunneling

    CERN Document Server

    Razavy, Mohsen

    2014-01-01

    In this revised and expanded edition, in addition to a comprehensible introduction to the theoretical foundations of quantum tunneling based on different methods of formulating and solving tunneling problems, different semiclassical approximations for multidimensional systems are presented. Particular attention is given to the tunneling of composite systems, with examples taken from molecular tunneling and also from nuclear reactions. The interesting and puzzling features of tunneling times are given extensive coverage, and the possibility of measurement of these times with quantum clocks are critically examined. In addition by considering the analogy between evanescent waves in waveguides and in quantum tunneling, the times related to electromagnetic wave propagation have been used to explain certain aspects of quantum tunneling times. These topics are treated in both non-relativistic as well as relativistic regimes. Finally, a large number of examples of tunneling in atomic, molecular, condensed matter and ...

  5. Ship Vibration Design Guide

    Science.gov (United States)

    1989-07-01

    Frachtschiffen," Werft Reederie Hafen, 1925. 4-21 Noonan, E. F. "Vibration Considerations for 120,000 CM LNG Ships," NKF: Preliminary Report No. 7107, 25...Ship Response to Ice - A Second Season by C. Daley, J. W. St. John, R. Brown, J. Meyer , and I. Glen 1990 SSC-340 Ice Forces and Ship Response to Ice

  6. Compact Vibration Damper

    Science.gov (United States)

    Ivanco, Thomas G. (Inventor)

    2014-01-01

    A vibration damper includes a rigid base with a mass coupled thereto for linear movement thereon. Springs coupled to the mass compress in response to the linear movement along either of two opposing directions. A converter coupled to the mass converts the linear movement to a corresponding rotational movement. A rotary damper coupled to the converter damps the rotational movement.

  7. Vibrations and Eigenvalues

    Indian Academy of Sciences (India)

    The vibrating string problem is the source of much mathematicsand physics. This article describes Lagrange's formulationof a discretised version of the problem and its solution.This is also the first instance of an eigenvalue problem. Author Affiliations. Rajendra Bhatia1. Ashoka University, Rai, Haryana 131 029, India.

  8. Vibration Sensitive Keystroke Analysis

    NARCIS (Netherlands)

    Lopatka, M.; Peetz, M.-H.; van Erp, M.; Stehouwer, H.; van Zaanen, M.

    2009-01-01

    We present a novel method for performing non-invasive biometric analysis on habitual keystroke patterns using a vibration-based feature space. With the increasing availability of 3-D accelerometer chips in laptop computers, conventional methods using time vectors may be augmented using a distinct

  9. Acoustic vibration can enhance bacterial biofilm formation.

    Science.gov (United States)

    Murphy, Mark F; Edwards, Thomas; Hobbs, Glyn; Shepherd, Joanna; Bezombes, Frederic

    2016-12-01

    This paper explores the use of low-frequency-low-amplitude acoustic vibration on biofilm formation. Biofilm development is thought to be governed by a diverse range of environmental signals and much effort has gone into researching the effects of environmental factors including; nutrient availability, pH and temperature on the growth of biofilms. Many biofilm-forming organisms have evolved to thrive in mechanically challenging environments, for example soil yet, the effects of the physical environment on biofilm formation has been largely ignored. Exposure of Pseudomonas aeruginosa to vibration at 100, 800 and 1600 Hz for 48 h, resulted in a significant increase in biofilm formation compared with the control, with the greatest growth seen at 800 Hz vibration. The results also show that this increase in biofilm formation is accompanied with an increase in P. aeruginosa cell number. Acoustic vibration was also found to regulate the spatial distribution of biofilm formation in a frequency-dependent manner. Exposure of Staphylococcus aureus to acoustic vibration also resulted in enhanced biofilm formation with the greatest level of biofilm being formed following 48 h exposure at 1600 Hz. These results show that acoustic vibration can be used to control biofilm formation and therefore presents a novel and potentially cost effective means to manipulate the development and yield of biofilms in a range of important industrial and medical processes. Copyright © 2016 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

  10. Inequalities for quantum skew information

    DEFF Research Database (Denmark)

    Audenaert, Koenraad; Cai, Liang; Hansen, Frank

    2008-01-01

    We study quantum information inequalities and show that the basic inequality between the quantum variance and the metric adjusted skew information generates all the multi-operator matrix inequalities or Robertson type determinant inequalities studied by a number of authors. We introduce an order...

  11. Digital Quantum Simulation of Spin Models with Circuit Quantum Electrodynamics

    Directory of Open Access Journals (Sweden)

    Y. Salathé

    2015-06-01

    Full Text Available Systems of interacting quantum spins show a rich spectrum of quantum phases and display interesting many-body dynamics. Computing characteristics of even small systems on conventional computers poses significant challenges. A quantum simulator has the potential to outperform standard computers in calculating the evolution of complex quantum systems. Here, we perform a digital quantum simulation of the paradigmatic Heisenberg and Ising interacting spin models using a two transmon-qubit circuit quantum electrodynamics setup. We make use of the exchange interaction naturally present in the simulator to construct a digital decomposition of the model-specific evolution and extract its full dynamics. This approach is universal and efficient, employing only resources that are polynomial in the number of spins, and indicates a path towards the controlled simulation of general spin dynamics in superconducting qubit platforms.

  12. Efficient cooling of quantized vibrations using a four-level configuration

    Science.gov (United States)

    Yan, Lei-Lei; Zhang, Jian-Qi; Zhang, Shuo; Feng, Mang

    2016-12-01

    Cooling vibrational degrees of freedom down to ground states is essential to observation of quantum properties of systems with mechanical vibration. We propose two cooling schemes employing four internal levels of the systems, which achieve the ground-state cooling in an efficient fashion by completely deleting the carrier and first-order blue-sideband transitions. The schemes, based on quantum interference and Stark-shift gates, are robust to fluctuations of laser intensity and frequency. The feasibility of the schemes is justified using current laboratory technology. In practice, our proposal readily applies to a nanodiamond nitrogen-vacancy center levitated in an optical trap or attached to a cantilever.

  13. Quantum coherence versus quantum uncertainty

    Science.gov (United States)

    Luo, Shunlong; Sun, Yuan

    2017-08-01

    The notion of measurement is of both foundational and instrumental significance in quantum mechanics, and coherence destroyed by measurements (decoherence) lies at the very heart of quantum to classical transition. Qualitative aspects of this spirit have been widely recognized and analyzed ever since the inception of quantum theory. However, axiomatic and quantitative investigations of coherence are attracting great interest only recently with several figures of merit for coherence introduced [Baumgratz, Cramer, and Plenio, Phys. Rev. Lett. 113, 140401 (2014), 10.1103/PhysRevLett.113.140401]. While these resource theoretic approaches have many appealing and intuitive features, they rely crucially on various notions of incoherent operations which are sophisticated, subtle, and not uniquely defined, as have been critically assessed [Chitambar and Gour, Phys. Rev. Lett. 117, 030401 (2016), 10.1103/PhysRevLett.117.030401]. In this paper, we elaborate on the idea that coherence and quantum uncertainty are dual viewpoints of the same quantum substrate, and address coherence quantification by identifying coherence of a state (with respect to a measurement) with quantum uncertainty of a measurement (with respect to a state). Consequently, coherence measures may be set into correspondence with measures of quantum uncertainty. In particular, we take average quantum Fisher information as a measure of quantum uncertainty, and introduce the corresponding measure of coherence, which is demonstrated to exhibit desirable properties. Implications for interpreting quantum purity as maximal coherence, and quantum discord as minimal coherence, are illustrated.

  14. Gossip algorithms in quantum networks

    Science.gov (United States)

    Siomau, Michael

    2017-01-01

    Gossip algorithms is a common term to describe protocols for unreliable information dissemination in natural networks, which are not optimally designed for efficient communication between network entities. We consider application of gossip algorithms to quantum networks and show that any quantum network can be updated to optimal configuration with local operations and classical communication. This allows to speed-up - in the best case exponentially - the quantum information dissemination. Irrespective of the initial configuration of the quantum network, the update requiters at most polynomial number of local operations and classical communication.

  15. Answer to Question {number_sign}21 [{open_quote}{open_quote}Snell{close_quote}s law in quantum mechanics,{close_quote}{close_quote} Steve Blau and Brad Halfpap, Am. J. Phys. {bold 63} (7), 583 (1995)

    Energy Technology Data Exchange (ETDEWEB)

    Milonni, P.W. [Theoretical Division (T-4) Los Alamos National Laboratory Los Alamos, New Mexico 87545 (United States)

    1996-07-01

    The quantum mechanical description of reflection and refraction in terms of photons is further extrapolated. The probability amplitude for a photon to be found inside or outside the medium is derived.

  16. Quantum cryptography over non-Markovian channels

    Science.gov (United States)

    Thapliyal, Kishore; Pathak, Anirban; Banerjee, Subhashish

    2017-05-01

    A three-party scheme for secure quantum communication, namely controlled quantum dialogue (CQD), is analyzed under the influence of non-Markovian channels. By comparing with the corresponding Markovian cases, it is seen that the average fidelity can be maintained for relatively longer periods of time. Interestingly, a number of facets of quantum cryptography, such as quantum secure direct communication, deterministic secure quantum communication and their controlled counterparts, quantum dialogue, quantum key distribution, quantum key agreement, can be reduced from the CQD scheme. Therefore, the CQD scheme is analyzed under the influence of damping, dephasing and depolarizing non-Markovian channels, and subsequently, the effect of these non-Markovian channels on the other schemes of secure quantum communication is deduced from the results obtained for CQD. The damped non-Markovian channel causes a periodic revival in the fidelity, while fidelity is observed to be sustained under the influence of the dephasing non-Markovian channel.

  17. Quantum games as quantum types

    Science.gov (United States)

    Delbecque, Yannick

    In this thesis, we present a new model for higher-order quantum programming languages. The proposed model is an adaptation of the probabilistic game semantics developed by Danos and Harmer [DH02]: we expand it with quantum strategies which enable one to represent quantum states and quantum operations. Some of the basic properties of these strategies are established and then used to construct denotational semantics for three quantum programming languages. The first of these languages is a formalisation of the measurement calculus proposed by Danos et al. [DKP07]. The other two are new: they are higher-order quantum programming languages. Previous attempts to define a denotational semantics for higher-order quantum programming languages have failed. We identify some of the key reasons for this and base the design of our higher-order languages on these observations. The game semantics proposed in this thesis is the first denotational semantics for a lambda-calculus equipped with quantum types and with extra operations which allow one to program quantum algorithms. The results presented validate the two different approaches used in the design of these two new higher-order languages: a first one where quantum states are used through references and a second one where they are introduced as constants in the language. The quantum strategies presented in this thesis allow one to understand the constraints that must be imposed on quantum type systems with higher-order types. The most significant constraint is the fact that abstraction over part of the tensor product of many unknown quantum states must not be allowed. Quantum strategies are a new mathematical model which describes the interaction between classical and quantum data using system-environment dialogues. The interactions between the different parts of a quantum system are described using the rich structure generated by composition of strategies. This approach has enough generality to be put in relation with other

  18. Animal Communications Through Seismic Vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Hill, Peggy (University of Tulsa)

    2001-05-02

    Substrate vibration has been important to animals as a channel of communication for millions of years, but our literature on vibration in this context of biologically relevant information is only decades old. The jaw mechanism of the earliest land vertebrates allowed them to perceive substrate vibrations as their heads lay on the ground long before airborne sounds could be heard. Although the exact mechanism of vibration production and the precise nature of the wave produced are not always understood, recent development of affordable instrumentation to detect and measure vibrations has allowed researchers to answer increasingly sophisticated questions about how animals send and receive vibration signals. We now know that vibration provides information used in predator defense, prey detection, recruitment to food, mate choice, intrasexual competition, and maternal/brood social interactions in a variety of insect orders, spiders, crabs, scorpions, chameleons, frogs, golden moles, mole rats, kangaroos rats, wallabies, elephants and bison.

  19. Symmetry-broken effects on electron momentum spectroscopy caused by adiabatic vibration

    Science.gov (United States)

    Zhu, Yinghao; Ma, Xiaoguang; Lou, Wenhua; Wang, Meishan; Yang, Chuanlu

    2017-11-01

    The vibronic coupling effect is usually studied by invoking the breakdown of Born-Oppenheimer approximation. The present study shows that the symmetry-broken effect induced by nuclei vibrations can also lead strong impact on the electronic states under the framework of Born-Oppenheimer approximation. This adiabatic-invoking vibrational effect on electron momentum spectroscopy of ethylene (C2H4), ethane (C2H6) and methanol (CH3OH) was studied with quantum mechanical method. The results show that electron momentum spectroscopy of localized electrons, especially core electrons in axial symmetric geometry molecules can be affected unusually and strongly by several asymmetric vibrational modes.

  20. Observation of the low frequency vibrational modes of bacteriophage M13 in water by Raman spectroscopy

    Directory of Open Access Journals (Sweden)

    Tsen Shaw-Wei D

    2006-09-01

    Full Text Available Abstract Background Recently, a technique which departs radically from conventional approaches has been proposed. This novel technique utilizes biological objects such as viruses as nano-templates for the fabrication of nanostructure elements. For example, rod-shaped viruses such as the M13 phage and tobacco mosaic virus have been successfully used as biological templates for the synthesis of semiconductor and metallic nanowires. Results and discussion Low wave number (≤ 20 cm-1 acoustic vibrations of the M13 phage have been studied using Raman spectroscopy. The experimental results are compared with theoretical calculations based on an elastic continuum model and appropriate Raman selection rules derived from a bond polarizability model. The observed Raman mode has been shown to belong to one of the Raman-active axial torsion modes of the M13 phage protein coat. Conclusion It is expected that the detection and characterization of this low frequency vibrational mode can be used for applications in nanotechnology such as for monitoring the process of virus functionalization and self-assembly. For example, the differences in Raman spectra can be used to monitor the coating of virus with some other materials and nano-assembly process, such as attaching a carbon nanotube or quantum dots.

  1. Effect of vibration on visual display terminal work performance.

    Science.gov (United States)

    Hsieh, Yao-Hung; Lin, Chiuhsiang Joe; Chen, Hsiao-Ching

    2007-12-01

    Today electronic visual displays have dramatic use in daily life. Reading these visual displays is subject to their vibration. Using a software-simulation of a vibrated environment, the study investigated the effect of vibration on visual performance and fatigue for several numerical display design characteristics including the font size and the number of digits displayed. Both the frequency and magnitude of vibration had significant effects on the reaction time, accuracy, and visual fatigue. 10 graduate students (23-30 years old; M = 25.6), randomly tested in this experiment, were offered about 25 U.S. dollars for their participation. Numbers in vertical presentation were affected more in vertical vibration than those in horizontal presentation. Analysis showed whenever the display is used in vibration environment, an increased font size may be an effective way to compensate the adverse effect of vibration. The software design of displayed materials must be designed to take the motion effect into consideration to increase the quality of the screen display.

  2. Vibration Attenuation of Plate Using Multiple Vibration Absorbers

    Directory of Open Access Journals (Sweden)

    Zaman Izzuddin

    2014-07-01

    Full Text Available Vibrations are undesired phenomenon and it can cause harm, distress and unsettling influence to the systems or structures, for example, aircraft, automobile, machinery and building. One of the approach to limit this vibration by introducing passive vibration absorber attached to the structure. In this paper, the adequacy of utilizing passive vibration absorbers are investigated. The vibration absorber system is designed to minimize the vibration of a thin plate fixed along edges. The plate’s vibration characteristics, such as, natural frequency and mode shape are determined using three techniques: theoretical equations, finite element (FE analysis and experiment. The results demonstrate that the first four natural frequencies of fixed-fixed ends plate are 48, 121, 193 and 242 Hz, and these results are corroborated well with theoretical, FE simulation and experiment. The experiment work is further carried out with attached single and multiple vibration absorbers onto plate by tuning the absorber’s frequency to match with the excitation frequency. The outcomes depict that multiple vibration absorbers are more viable in lessening the global structural vibration.

  3. Super-multiplex vibrational imaging

    Science.gov (United States)

    Wei, Lu; Chen, Zhixing; Shi, Lixue; Long, Rong; Anzalone, Andrew V.; Zhang, Luyuan; Hu, Fanghao; Yuste, Rafael; Cornish, Virginia W.; Min, Wei

    2017-04-01

    The ability to visualize directly a large number of distinct molecular species inside cells is increasingly essential for understanding complex systems and processes. Even though existing methods have successfully been used to explore structure-function relationships in nervous systems, to profile RNA in situ, to reveal the heterogeneity of tumour microenvironments and to study dynamic macromolecular assembly, it remains challenging to image many species with high selectivity and sensitivity under biological conditions. For instance, fluorescence microscopy faces a ‘colour barrier’, owing to the intrinsically broad (about 1,500 inverse centimetres) and featureless nature of fluorescence spectra that limits the number of resolvable colours to two to five (or seven to nine if using complicated instrumentation and analysis). Spontaneous Raman microscopy probes vibrational transitions with much narrower resonances (peak width of about 10 inverse centimetres) and so does not suffer from this problem, but weak signals make many bio-imaging applications impossible. Although surface-enhanced Raman scattering offers high sensitivity and multiplicity, it cannot be readily used to image specific molecular targets quantitatively inside live cells. Here we use stimulated Raman scattering under electronic pre-resonance conditions to image target molecules inside living cells with very high vibrational selectivity and sensitivity (down to 250 nanomolar with a time constant of 1 millisecond). We create a palette of triple-bond-conjugated near-infrared dyes that each displays a single peak in the cell-silent Raman spectral window; when combined with available fluorescent probes, this palette provides 24 resolvable colours, with the potential for further expansion. Proof-of-principle experiments on neuronal co-cultures and brain tissues reveal cell-type-dependent heterogeneities in DNA and protein metabolism under physiological and pathological conditions, underscoring the

  4. Quantum flywheel

    Science.gov (United States)

    Levy, Amikam; Diósi, Lajos; Kosloff, Ronnie

    2016-05-01

    In this work we present the concept of a quantum flywheel coupled to a quantum heat engine. The flywheel stores useful work in its energy levels, while additional power is extracted continuously from the device. Generally, the energy exchange between a quantum engine and a quantized work repository is accompanied by heat, which degrades the charging efficiency. Specifically when the quantum harmonic oscillator acts as a work repository, quantum and thermal fluctuations dominate the dynamics. Quantum monitoring and feedback control are applied to the flywheel in order to reach steady state and regulate its operation. To maximize the charging efficiency one needs a balance between the information gained by measuring the system and the information fed back to the system. The dynamics of the flywheel are described by a stochastic master equation that accounts for the engine, the external driving, the measurement, and the feedback operations.

  5. Quantum Hydrodynamics

    CERN Document Server

    Khan, Shabbir A

    2013-01-01

    Quantum plasma physics is a rapidly evolving research field with a very inter-disciplinary scope of potential applications, ranging from nano-scale science in condensed matter to the vast scales of astrophysical objects. The theoretical description of quantum plasmas relies on various approaches, microscopic or macroscopic, some of which have obvious relation to classical plasma models. The appropriate model should, in principle, incorporate the quantum mechanical effects such as diffraction, spin statistics and correlations, operative on the relevant scales. However, first-principle approaches such as quantum Monte Carlo and density functional theory or quantum-statistical methods such as quantum kinetic theory or non-equilibrium Green's functions require substantial theoretical and computational efforts. Therefore, for selected problems, alternative simpler methods have been put forward. In particular, the collective behavior of many-body systems is usually described within a self-consistent scheme of parti...

  6. Quantum cryptography

    CERN Document Server

    Gilbert, Gerald; Hamrick, Michael

    2013-01-01

    This book provides a detailed account of the theory and practice of quantum cryptography. Suitable as the basis for a course in the subject at the graduate level, it crosses the disciplines of physics, mathematics, computer science and engineering. The theoretical and experimental aspects of the subject are derived from first principles, and attention is devoted to the practical development of realistic quantum communications systems. The book also includes a comprehensive analysis of practical quantum cryptography systems implemented in actual physical environments via either free-space or fiber-optic cable quantum channels. This book will be a valuable resource for graduate students, as well as professional scientists and engineers, who desire an introduction to the field that will enable them to undertake research in quantum cryptography. It will also be a useful reference for researchers who are already active in the field, and for academic faculty members who are teaching courses in quantum information s...

  7. Quantum measurement

    CERN Document Server

    Busch, Paul; Pellonpää, Juha-Pekka; Ylinen, Kari

    2016-01-01

    This is a book about the Hilbert space formulation of quantum mechanics and its measurement theory. It contains a synopsis of what became of the Mathematical Foundations of Quantum Mechanics since von Neumann’s classic treatise with this title. Fundamental non-classical features of quantum mechanics—indeterminacy and incompatibility of observables, unavoidable measurement disturbance, entanglement, nonlocality—are explicated and analysed using the tools of operational quantum theory. The book is divided into four parts: 1. Mathematics provides a systematic exposition of the Hilbert space and operator theoretic tools and relevant measure and integration theory leading to the Naimark and Stinespring dilation theorems; 2. Elements develops the basic concepts of quantum mechanics and measurement theory with a focus on the notion of approximate joint measurability; 3. Realisations offers in-depth studies of the fundamental observables of quantum mechanics and some of their measurement implementations; and 4....

  8. Assessments of macroscopicity for quantum optical states

    DEFF Research Database (Denmark)

    Laghaout, Amine; Neergaard-Nielsen, Jonas Schou; Andersen, Ulrik Lund

    2015-01-01

    With the slow but constant progress in the coherent control of quantum systems, it is now possible to create large quantum superpositions. There has therefore been an increased interest in quantifying any claims of macroscopicity. We attempt here to motivate three criteria which we believe should...... enter in the assessment of macroscopic quantumness: The number of quantum fluctuation photons, the purity of the states, and the ease with which the branches making up the state can be distinguished. © 2014....

  9. Tensor-decomposed vibrational coupled-cluster theory

    DEFF Research Database (Denmark)

    Madsen, Niels Kristian; Godtliebsen, Ian Heide; Christiansen, Ove

    Vibrational coupled-cluster (VCC) theory is a highly accurate method for obtaining vibrational spectra and properties of small to medium-sized molecules. Calculating the vibrational energy and wave function requires the solution of a set of non-linear equations. We have implemented an array...... of any VCC calculation is the calculation of the error vector from a set of trial amplitudes. For high-order VCC methods this shows steep polynomial scaling w.r.t. the size of the moleule and the number of one-mode basis functions. Both the computational cost and the memory requirements of the VCC solver...

  10. Equilibrium structure and atomic vibrations of Nin clusters

    Science.gov (United States)

    Borisova, Svetlana D.; Rusina, Galina G.

    2017-12-01

    The equilibrium bond lengths and binding energy, second differences in energy and vibrational frequencies of free clusters Nin (2 ≤ n ≤ 20) were calculated with the use of the interaction potential obtained in the tight-binding approximation (TBA). The results show that the minimum vibration frequency plays a significant role in the evaluation of the dynamic stability of the clusters. A nonmonotonic dependence of the minimum vibration frequency of clusters on their size and the extreme values for the number of atoms in a cluster n = 4, 6, 13, and 19 are demonstrated. This result agrees with the theoretical and experimental data on stable structures of small metallic clusters.

  11. Quantum Locality

    OpenAIRE

    Stapp, Henry

    2009-01-01

    Robert Griffiths has recently addressed, within the framework of a 'consistent quantum theory' that he has developed, the issue of whether, as is often claimed, quantum mechanics entails a need for faster-than-light transfers of information over long distances. He argues that the putative proofs of this property that involve hidden variables include in their premises some essentially classical-physics-type assumptions that are fundamentally incompatible with the precepts of quantum physics. O...

  12. Quantum ratchets

    OpenAIRE

    Peguiron, J.

    1997-01-01

    In this thesis, ratchet systems operating in the quantum regime are investigated. Ratchet systems, also known as Brownian motors, are periodic systems presenting an intrinsic asymmetry which can be exploited to extract work out of unbiased forces. As a model for ratchet systems, we consider the motion of a particle in a one-dimensional periodic and asymmetric potential, interacting with a thermal environment, and subject to an unbiased driving force. In quantum ratchets, intrinsic quantum flu...

  13. Quantum coherence, uncertainty, nonlocal advantage of quantum coherence as indicators of quantum phase transition in the transverse Ising model

    Science.gov (United States)

    Liu, Cheng-Cheng; Wang, Dong; Sun, Wen-Yang; Ye, Liu

    2017-10-01

    In this paper, we investigate the relation among local quantum coherence, quantum uncertainty, and the nonlocal advantage of quantum coherence based on skew information and quantum phase transition in the transverse Ising model by exploring the quantum renormalization group (QRG) method. The results reveal that the amount of the local quantum uncertainty is equal to the local quantum coherence corresponding to the local observable {{σ }z} in the model, which can be generalized to a multipartite system. Moreover, the nonlocal advantage of quantum coherence is investigated, and we found that regardless of the value of the external magnet field and the number of QRG iterations, the quantum coherence of the subsystem was steerable, which is not only suitable for the two sites of the block, but also for the nearest-neighbor blocks in the long-ranged ferromagnetic phase. However, as the system becomes large enough, the quantum coherence of the subsystem is not steerable in the paramagnetic phase. Additionally, the QRG implementation of quantum coherence and uncertainty are effective and feasible to detect the quantum critical points associated with quantum phase transitions. We also make use of the QRG method to analyze the thermodynamic limit of the current model and the emergence of the nonanalytic and scaling behaviors of the nonlocal advantage of quantum coherence.

  14. Good vibrations. [Hydraulic turbines

    Energy Technology Data Exchange (ETDEWEB)

    Reynolds, P.

    1994-07-01

    The latest developments in the Voith Turbine Control and Automation System (VTLS), which couples digital control technology to hydropower plant equipment, are described. Prominent among these is the vibration diagnostics module for hydraulic turbines. It provides machine-specific diagnostic logic for a vibration monitoring and analysis system. Of the two other VTLS modules described, the operation module optimizes the control of a power plant with three or more turbines by considering the individual properties of each in turn, recommending which should be run, and how, in order to partition the load for a required power output. The cavitation module is a diagnostic system which enables the limits of operation of the turbines to be extended to bands just outside those determined by cavitation calculations. (3 figures). (UK)

  15. Quantum Minimum Distance Classifier

    Directory of Open Access Journals (Sweden)

    Enrica Santucci

    2017-12-01

    Full Text Available We propose a quantum version of the well known minimum distance classification model called Nearest Mean Classifier (NMC. In this regard, we presented our first results in two previous works. First, a quantum counterpart of the NMC for two-dimensional problems was introduced, named Quantum Nearest Mean Classifier (QNMC, together with a possible generalization to any number of dimensions. Secondly, we studied the n-dimensional problem into detail and we showed a new encoding for arbitrary n-feature vectors into density operators. In the present paper, another promising encoding is considered, suggested by recent debates on quantum machine learning. Further, we observe a significant property concerning the non-invariance by feature rescaling of our quantum classifier. This fact, which represents a meaningful difference between the NMC and the respective quantum version, allows us to introduce a free parameter whose variation provides, in some cases, better classification results for the QNMC. The experimental section is devoted: (i to compare the NMC and QNMC performance on different datasets; and (ii to study the effects of the non-invariance under uniform rescaling for the QNMC.

  16. Quantum information and computation

    OpenAIRE

    Bub, Jeffrey

    2005-01-01

    This article deals with theoretical developments in the subject of quantum information and quantum computation, and includes an overview of classical information and some relevant quantum mechanics. The discussion covers topics in quantum communication, quantum cryptography, and quantum computation, and concludes by considering whether a perspective in terms of quantum information sheds new light on the conceptual problems of quantum mechanics.

  17. Quantum information

    CERN Document Server

    Barnett, Stephen M

    2009-01-01

    Quantum information- the subject- is a new and exciting area of science, which brings together physics, information theory, computer science and mathematics. "Quantum Information"- the book- is based on two successful lecture courses given to advanced undergraduate and beginning postgraduate students in physics. The intention is to introduce readers at this level to the fundamental, but offer rather simple, ideas behind ground-breaking developments including quantum cryptography,teleportation and quantum computing. The text is necessarily rather mathematical in style, but the mathema

  18. Quantum Optics

    CERN Document Server

    Vogel, Werner

    2006-01-01

    This is the third, revised and extended edition of the acknowledged "Lectures on Quantum Optics" by W. Vogel and D.-G. Welsch.It offers theoretical concepts of quantum optics, with special emphasis on current research trends. A unified concept of measurement-based nonclassicality and entanglement criteria and a unified approach to medium-assisted electromagnetic vacuum effects including Van der Waals and Casimir Forces are the main new topics that are included in the revised edition. The rigorous development of quantum optics in the context of quantum field theory and the attention to details makes the book valuable to graduate students as well as to researchers

  19. Vibrational energy relaxation in liquids

    Science.gov (United States)

    Chesnoy, J.; Gale, G. M.

    The de-excitation of the vibrational population of small molecules in the liquid state is considered. Experimental techniques applicable to the measurement of relaxation times in dense phases are first described. Theoretical approaches are subsequently developed with special emphasis on the relationship between ab-initio quantum methods and binary interaction models. Finally, a selection of experimental results is analysed in the light of these theories. Special attention is given to the dependence of the relaxation time on experimental parameters such as density, temperature or the concentration of a mixture. The behaviour of the relaxation time across the liquid/solid phase transition is also treated. La désexcitation vibrationnelle de petites molécules est étudiée en phase liquide. Les techniques expérimentales utilisables pour mesurer les temps de relaxation en phase dense sont d'abord décrites. Les approches théoriques sont ensuite développées en montrant en particulier les liens entre les deux principales : l'approche quantique ab-initio et les modèles d'interaction binaire. Un choix de résultats expérimentaux est finalement analysé à la lumière de ces théories. Les dépendances des temps de relaxation envers les paramètres expérimentaux, comme la densité, la température ou la concentration d'un mélange, sont spécialement étudiées. Le comportement de la relaxation à la transition liquide/solide est aussi abordé.

  20. Pickin’ up good vibrations

    CERN Multimedia

    Katarina Anthony

    2015-01-01

    In preparation for the civil engineering work on the HL-LHC, vibration measurements were carried out at the LHC’s Point 1 last month. These measurements will help evaluate how civil engineering work could impact the beam, and will provide crucial details about the site’s geological make-up before construction begins.   A seismic truck at Point 1 generated wave-like vibrations measured by EN/MME. From carrying out R&D to produce state-of-the-art magnets to developing innovative, robust materials capable of withstanding beam impact, the HL-LHC is a multi-faceted project involving many groups and teams across CERN’s departments. It was in this framework that the project management mandated CERN's Mechanical and Materials Engineering (EN/MME) group to measure the propagation of vibrations around Point 1. Their question: can civil engineering work for the HL-LHC – the bulk of which is scheduled for LS2 – begin while the LHC is running? Alth...

  1. Vibrational stability of graphene

    Directory of Open Access Journals (Sweden)

    Yangfan Hu

    2013-05-01

    Full Text Available The mechanical stability of graphene as temperature rises is analyzed based on three different self-consistent phonon (SCP models. Compared with three-dimensional (3-D materials, the critical temperature Ti at which instability occurs for graphene is much closer to its melting temperature Tm obtained from Monte Carlo simulation (Ti ≃ 2Tm, K. V. Zakharchenko, A. Fasolino, J. H. Los, and M. I. Katsnelson, J. Phys. Condens. Matter 23, 202202. This suggests that thermal vibration plays a significant role in melting of graphene while melting for 3-D materials is often dominated by topologic defects. This peculiar property of graphene derives from its high structural anisotropy, which is characterized by the vibrational anisotropic coefficient (VAC, defined upon its Lindermann ratios in different directions. For any carbon based material with a graphene-like structure, the VAC value must be smaller than 5.4 to maintain its stability. It is also found that the high VAC value of graphene is responsible for its negative thermal expansion coefficient at low temperature range. We believe that the VAC can be regarded as a new criterion concerning the vibrational stability of any low-dimensional (low-D materials.

  2. Loop Quantum Gravity.

    Science.gov (United States)

    Rovelli, Carlo

    2008-01-01

    The problem of describing the quantum behavior of gravity, and thus understanding quantum spacetime, is still open. Loop quantum gravity is a well-developed approach to this problem. It is a mathematically well-defined background-independent quantization of general relativity, with its conventional matter couplings. Today research in loop quantum gravity forms a vast area, ranging from mathematical foundations to physical applications. Among the most significant results obtained so far are: (i) The computation of the spectra of geometrical quantities such as area and volume, which yield tentative quantitative predictions for Planck-scale physics. (ii) A physical picture of the microstructure of quantum spacetime, characterized by Planck-scale discreteness. Discreteness emerges as a standard quantum effect from the discrete spectra, and provides a mathematical realization of Wheeler's "spacetime foam" intuition. (iii) Control of spacetime singularities, such as those in the interior of black holes and the cosmological one. This, in particular, has opened up the possibility of a theoretical investigation into the very early universe and the spacetime regions beyond the Big Bang. (iv) A derivation of the Bekenstein-Hawking black-hole entropy. (v) Low-energy calculations, yielding n-point functions well defined in a background-independent context. The theory is at the roots of, or strictly related to, a number of formalisms that have been developed for describing background-independent quantum field theory, such as spin foams, group field theory, causal spin networks, and others. I give here a general overview of ideas, techniques, results and open problems of this candidate theory of quantum gravity, and a guide to the relevant literature.

  3. Loop Quantum Gravity

    Directory of Open Access Journals (Sweden)

    Rovelli Carlo

    2008-07-01

    Full Text Available The problem of describing the quantum behavior of gravity, and thus understanding quantum spacetime, is still open. Loop quantum gravity is a well-developed approach to this problem. It is a mathematically well-defined background-independent quantization of general relativity, with its conventional matter couplings. Today research in loop quantum gravity forms a vast area, ranging from mathematical foundations to physical applications. Among the most significant results obtained so far are: (i The computation of the spectra of geometrical quantities such as area and volume, which yield tentative quantitative predictions for Planck-scale physics. (ii A physical picture of the microstructure of quantum spacetime, characterized by Planck-scale discreteness. Discreteness emerges as a standard quantum effect from the discrete spectra, and provides a mathematical realization of Wheeler’s “spacetime foam” intuition. (iii Control of spacetime singularities, such as those in the interior of black holes and the cosmological one. This, in particular, has opened up the possibility of a theoretical investigation into the very early universe and the spacetime regions beyond the Big Bang. (iv A derivation of the Bekenstein–Hawking black-hole entropy. (v Low-energy calculations, yielding n-point functions well defined in a background-independent context. The theory is at the roots of, or strictly related to, a number of formalisms that have been developed for describing background-independent quantum field theory, such as spin foams, group field theory, causal spin networks, and others. I give here a general overview of ideas, techniques, results and open problems of this candidate theory of quantum gravity, and a guide to the relevant literature.

  4. Quantum circuits for cryptanalysis

    Science.gov (United States)

    Amento, Brittanney Jaclyn

    Finite fields of the form F2 m play an important role in coding theory and cryptography. We show that the choice of how to represent the elements of these fields can have a significant impact on the resource requirements for quantum arithmetic. In particular, we show how the Gaussian normal basis representations and "ghost-bit basis" representations can be used to implement inverters with a quantum circuit of depth O(mlog(m)). To the best of our knowledge, this is the first construction with subquadratic depth reported in the literature. Our quantum circuit for the computation of multiplicative inverses is based on the Itoh-Tsujii algorithm which exploits the property that, in a normal basis representation, squaring corresponds to a permutation of the coefficients. We give resource estimates for the resulting quantum circuit for inversion over binary fields F2 m based on an elementary gate set that is useful for fault-tolerant implementation. Elliptic curves over finite fields F2 m play a prominent role in modern cryptography. Published quantum algorithms dealing with such curves build on a short Weierstrass form in combination with affine or projective coordinates. In this thesis we show that changing the curve representation allows a substantial reduction in the number of T-gates needed to implement the curve arithmetic. As a tool, we present a quantum circuit for computing multiplicative inverses in F2m in depth O(m log m) using a polynomial basis representation, which may be of independent interest. Finally, we change our focus from the design of circuits which aim at attacking computational assumptions on asymmetric cryptographic algorithms to the design of a circuit attacking a symmetric cryptographic algorithm. We consider a block cipher, SERPENT, and our design of a quantum circuit implementing this cipher to be used for a key attack using Grover's algorithm as in [18]. This quantum circuit is essential for understanding the complexity of Grover's algorithm.

  5. Gossip algorithms in quantum networks

    Energy Technology Data Exchange (ETDEWEB)

    Siomau, Michael, E-mail: siomau@nld.ds.mpg.de [Physics Department, Jazan University, P.O. Box 114, 45142 Jazan (Saudi Arabia); Network Dynamics, Max Planck Institute for Dynamics and Self-Organization (MPIDS), 37077 Göttingen (Germany)

    2017-01-23

    Gossip algorithms is a common term to describe protocols for unreliable information dissemination in natural networks, which are not optimally designed for efficient communication between network entities. We consider application of gossip algorithms to quantum networks and show that any quantum network can be updated to optimal configuration with local operations and classical communication. This allows to speed-up – in the best case exponentially – the quantum information dissemination. Irrespective of the initial configuration of the quantum network, the update requiters at most polynomial number of local operations and classical communication. - Highlights: • We analyze the performance of gossip algorithms in quantum networks. • Local operations and classical communication (LOCC) can speed the performance up. • The speed-up is exponential in the best case; the number of LOCC is polynomial.

  6. Quantum transport in carbon nanotubes

    DEFF Research Database (Denmark)

    Laird, Edward A.; Kuemmeth, Ferdinand; Steele, Gary A.

    2015-01-01

    modifies their transport behaviour. Interaction between electrons inside and outside a quantum dot is manifested in SU(4) Kondo behavior and level renormalization. Interaction within a dot leads to Wigner molecules and more complex correlated states. This review takes an experimental perspective informed...... and valley degrees of freedom. This review describes the modern understanding of transport through nanotube devices. Unlike conventional semiconductors, electrons in nanotubes have two angular momentum quantum numbers, arising from spin and from valley freedom. We focus on the interplay between the two....... In single quantum dots defined in short lengths of nanotube, the energy levels associated with each degree of freedom, and the spin-orbit coupling between them, are revealed by Coulomb blockade spectroscopy. In double quantum dots, the combination of quantum numbers modifies the selection rules of Pauli...

  7. The Dalton quantum chemistry program system

    Science.gov (United States)

    Aidas, Kestutis; Angeli, Celestino; Bak, Keld L; Bakken, Vebjørn; Bast, Radovan; Boman, Linus; Christiansen, Ove; Cimiraglia, Renzo; Coriani, Sonia; Dahle, Pål; Dalskov, Erik K; Ekström, Ulf; Enevoldsen, Thomas; Eriksen, Janus J; Ettenhuber, Patrick; Fernández, Berta; Ferrighi, Lara; Fliegl, Heike; Frediani, Luca; Hald, Kasper; Halkier, Asger; Hättig, Christof; Heiberg, Hanne; Helgaker, Trygve; Hennum, Alf Christian; Hettema, Hinne; Hjertenæs, Eirik; Høst, Stinne; Høyvik, Ida-Marie; Iozzi, Maria Francesca; Jansík, Branislav; Jensen, Hans Jørgen Aa; Jonsson, Dan; Jørgensen, Poul; Kauczor, Joanna; Kirpekar, Sheela; Kjærgaard, Thomas; Klopper, Wim; Knecht, Stefan; Kobayashi, Rika; Koch, Henrik; Kongsted, Jacob; Krapp, Andreas; Kristensen, Kasper; Ligabue, Andrea; Lutnæs, Ola B; Melo, Juan I; Mikkelsen, Kurt V; Myhre, Rolf H; Neiss, Christian; Nielsen, Christian B; Norman, Patrick; Olsen, Jeppe; Olsen, Jógvan Magnus H; Osted, Anders; Packer, Martin J; Pawlowski, Filip; Pedersen, Thomas B; Provasi, Patricio F; Reine, Simen; Rinkevicius, Zilvinas; Ruden, Torgeir A; Ruud, Kenneth; Rybkin, Vladimir V; Sałek, Pawel; Samson, Claire C M; de Merás, Alfredo Sánchez; Saue, Trond; Sauer, Stephan P A; Schimmelpfennig, Bernd; Sneskov, Kristian; Steindal, Arnfinn H; Sylvester-Hvid, Kristian O; Taylor, Peter R; Teale, Andrew M; Tellgren, Erik I; Tew, David P; Thorvaldsen, Andreas J; Thøgersen, Lea; Vahtras, Olav; Watson, Mark A; Wilson, David J D; Ziolkowski, Marcin; Ågren, Hans

    2014-01-01

    Dalton is a powerful general-purpose program system for the study of molecular electronic structure at the Hartree–Fock, Kohn–Sham, multiconfigurational self-consistent-field, Møller–Plesset, configuration-interaction, and coupled-cluster levels of theory. Apart from the total energy, a wide variety of molecular properties may be calculated using these electronic-structure models. Molecular gradients and Hessians are available for geometry optimizations, molecular dynamics, and vibrational studies, whereas magnetic resonance and optical activity can be studied in a gauge-origin-invariant manner. Frequency-dependent molecular properties can be calculated using linear, quadratic, and cubic response theory. A large number of singlet and triplet perturbation operators are available for the study of one-, two-, and three-photon processes. Environmental effects may be included using various dielectric-medium and quantum-mechanics/molecular-mechanics models. Large molecules may be studied using linear-scaling and massively parallel algorithms. Dalton is distributed at no cost from http://www.daltonprogram.org for a number of UNIX platforms. PMID:25309629

  8. Proposed method of reducing ground vibration from delay blasting

    Energy Technology Data Exchange (ETDEWEB)

    Coursen, D.L. [Dynatec Explosives Consultants, Inc., Espanola, NM (United States)

    1995-12-31

    In the proposed method, the charges are elongated and arranged in one or more arrays. The orientation of each charge in an array, its velocity of propagation of explosion, and the velocity of propagation of vibration in the formation are such that, at an outlying location where vibration is to be reduced, the onset of vibration from the explosion of the first negligibly small increment of each charge arrives a finite time before that from the explosion of the last negligibly small increment of that charge. The charges of each array are fired in accurately-timed sequence, with the times between initiations chosen so that, at the outlying location, the onset of vibration from the explosion of the last small increment of each charge, except the last charge, arrives a negligibly small increment of time before the onset of vibration from the explosion of the first negligibly small increment of the succeeding charge. With such timing, vibration may be reduced at the widest range of locations by tilting the boreholes so that the terminal end of each charge is directly above or below the terminal end of the succeeding charge. With the proposed method, vibration can be expected to decrease with increasing charge length, decreasing velocity of propagation of explosion, increasing number of charges per array, decreasing reverberation time, increasing precision of initiation timing, and increasing homogeneity of the rock. Computer modeling of the resulting vibration from single arrays having a total duration of explosion longer than the reverberation time shows a starting transient and an ending transient with little or no vibration between them. For patterns containing more than one array, the modeling indicates that the recommended timing between arrays can largely eliminate the vibration from the starting and ending transients as well when they are dominated by a single frequency.

  9. Lattice quantum chromodynamics: Some topics

    Indian Academy of Sciences (India)

    Abstract. I review some topics in lattice quantum chromodynamics, focusing more on the recent results. These include: the QCD phase diagram in the - plane,; the quark number susceptibilities, and; the screening lengths.

  10. Mathematical foundations of quantum statistics

    CERN Document Server

    Khinchin, A Y

    2011-01-01

    A coherent, well-organized look at the basis of quantum statistics' computational methods, the determination of the mean values of occupation numbers, the foundations of the statistics of photons and material particles, thermodynamics.

  11. Vibrational analysis of dibenzo-18-crown-6. Effect of dispersion correction on the calculated vibrational spectra

    Science.gov (United States)

    Al-Jallal, Nada A.; El-Azhary, Adel A.

    2017-09-01

    We report for the first time a detailed vibrational analysis of dibenzo-18-crown-6, db18c6. The experimental IR and Raman spectra of db18c6 were measured. The assignment of the fundamental vibrational frequencies of db18c6 was aided by using scaled quantum mechanical force fields calculated at the B3LYP/6-311G** and CAM-B3LYP/6-311G** levels. Comparison between the experimental and calculated spectra of some of the important conformations of db18c6 led to the conclusion that db18c6 in the solid phase exists in a C2 conformation that is similar to that predicted by X-ray, for also the solid phase. The effect of inclusion of the atom pair-wise dispersion correction to the B3LYP method, known as the B3LYP-D3 method, on the calculated IR and Raman spectra of db18c6 at the B3LYP level was also investigated. It was concluded that the effect of inclusion of the dispersion correction on the calculated vibrational frequencies and intensities is negligible.

  12. Quantum physics without quantum philosophy

    Energy Technology Data Exchange (ETDEWEB)

    Duerr, Detlef [Muenchen Univ. (Germany). Mathematisches Inst.; Goldstein, Sheldon [Rutgers State Univ., Piscataway, NJ (United States). Dept. of Mathematics; Zanghi, Nino [Genova Univ. (Italy); Istituto Nazionale Fisica Nucleare, Genova (Italy)

    2013-02-01

    Integrates and comments on the authors' seminal papers in the field. Emphasizes the natural way in which quantum phenomena emerge from the Bohmian picture. Helps to answer many of the objections raised to Bohmian quantum mechanics. Useful overview and summary for newcomers and students. It has often been claimed that without drastic conceptual innovations a genuine explanation of quantum interference effects and quantum randomness is impossible. This book concerns Bohmian mechanics, a simple particle theory that is a counterexample to such claims. The gentle introduction and other contributions collected here show how the phenomena of non-relativistic quantum mechanics, from Heisenberg's uncertainty principle to non-commuting observables, emerge from the Bohmian motion of particles, the natural particle motion associated with Schroedinger's equation. This book will be of value to all students and researchers in physics with an interest in the meaning of quantum theory as well as to philosophers of science.

  13. Microscopic calculation of the restoring force for scissor isovector vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Nojarov, R.; Bochnacki, Z.; Faessler, A.

    1986-07-01

    The restoring force for scissor isovector vibrations is calculated microscopically with the wave functions of an axially symmetric Woods-Saxon potential from a density-dependent symmetry energy. The experimental energies of the low-lying magnetic dipole states in rare-earth nuclei are well reproduced. It is found that only outer particles, which contribute to the nuclear moment of inertia, take part in this collective vibration. They are about half of the total number of nucleons.

  14. Quantum fictitious forces

    DEFF Research Database (Denmark)

    Bialynicki-Birula, I; Cirone, M.A.; Dahl, Jens Peder

    2002-01-01

    We present Heisenberg's equation of motion for the radial variable of a free non-relativistic particle in D dimensions. The resulting radial force consists of three contributions: (i) the quantum fictitious force which is either attractive or repulsive depending on the number of dimensions, (ii) ...

  15. Proposal for quantum many-body simulation and torsional matter-wave interferometry with a levitated nanodiamond

    Science.gov (United States)

    Ma, Yue; Hoang, Thai M.; Gong, Ming; Li, Tongcang; Yin, Zhang-qi

    2017-08-01

    Hybrid spin-mechanical systems have great potential in sensing, macroscopic quantum mechanics, and quantum information science. In order to induce strong coupling between an electron spin and the center-of-mass motion of a mechanical oscillator, a large magnetic gradient usually is required, which is difficult to achieve. Here we show that strong coupling between the electron spin of a nitrogen-vacancy (NV) center and the torsional vibration of an optically levitated nanodiamond can be achieved in a uniform magnetic field. Thanks to the uniform magnetic field, multiple spins can strongly couple to the torsional vibration at the same time. We propose utilizing this coupling mechanism to realize the Lipkin-Meshkov-Glick (LMG) model by an ensemble of NV centers in a levitated nanodiamond. The quantum phase transition in the LMG model and finite number effects can be observed with this system. We also propose generating torsional superposition states and realizing torsional matter-wave interferometry with spin-torsional coupling.

  16. Symmetry and symmetry breaking in quantum mechanics; Symetrie et brisure de symetrie en mechanique quantique

    Energy Technology Data Exchange (ETDEWEB)

    Chomaz, Philippe [Grand Accelerateur National d`Ions Lourds (GANIL), 14 - Caen (France)

    1998-12-31

    In the world of infinitely small, the world of atoms, nuclei and particles, the quantum mechanics enforces its laws. The discovery of Quanta, this unbelievable castration of the Possible in grains of matter and radiation, in discrete energy levels compels us of thinking the Single to comprehend the Universal. Quantum Numbers, magic Numbers and Numbers sign the wave. The matter is vibration. To describe the music of the world one needs keys, measures, notes, rules and partition: one needs quantum mechanics. The particles reduce themselves not in material points as the scholars of the past centuries thought, but they must be conceived throughout the space, in the accomplishment of shapes of volumes. When Einstein asked himself whether God plays dice, there was no doubt among its contemporaries that if He exists He is a geometer. In a Nature reduced to Geometry, the symmetries assume their role in servicing the Harmony. The symmetries allow ordering the energy levels to make them understandable. They impose there geometrical rules to the matter waves, giving them properties which sometimes astonish us. Hidden symmetries, internal symmetries and newly conceived symmetries have to be adopted subsequently to the observation of some order in this world of Quanta. In turn, the symmetries provide new observables which open new spaces of observation 17 refs., 16 figs.

  17. The Shock and Vibration Digest. Volume 13. Number 8

    Science.gov (United States)

    1981-08-01

    collocation and others) • Computer implementation of the above techniques for the analysis of general structural components • Adaptation of the above...Salewski and U. Marzok Ernst- Moritz -Arndt-Universität Greifswald, Sektion Physik/Elektronik, Maschinenbautechnik, 30 (2), pp 88-90 (Feb 1981

  18. The Shock and Vibration Digest. Volume 17. Number 5

    Science.gov (United States)

    1985-05-01

    34vwwvTrrrnrxrw vwrn^rv i ^ t T» i ^i-^ i ^.^ -r- ^^ "^^ ".- free from shear stress . A double integral transform technique is used. Asymptotic...Section 50 wm trim bate 97.5 «i froa baec 25 ■■ froa bale 12.5 mt tram base Figure 6. Temperature Readings in Soft Rubber Cylinder for...Tensioning either permanently alters or actively controls saw membrane stresses to increase the lowest critical speed of a saw. Active control of

  19. The Shock and Vibration Digest. Volume 15, Number 9

    Science.gov (United States)

    1983-09-01

    Investigaciones en Matem6ticas, Apli- Acoustic Resonance Scattering by a Penetrable cadas y en Sistemas , Universidad Nacional Autonoma Cylinder de Mexico...held at the Huntington Sheraton Hotel in Pasadena, California on October 18-20. The Jet Propulsion Laboratory will be the host serving on behalf of the...Offset Circular Conf., Cambridge, pp 359-366 (1980). Whirl Orbits," J. Mech. Des ., Trans. ASME, 26. Parkins, D.W. and Stanley, W.T., "Characteris- "-100

  20. The Shock and Vibration Digest. Volume 13, Number 11

    Science.gov (United States)

    1981-11-01

    empirical near a boundary. The concepts of reflection coeffi- data is presented from several different auditoria . cient, wall impedance, and energy...dale, OH, Intl. J. Nonlin. Mechanics, 16 (2), pp 105- 81-2413 116 (1981) 6 figs, 9 refs Dynianica of Arrays of Cylinders with Internal and Externa

  1. The Shock and Vibration Digest. Volume 12, Number 6,

    Science.gov (United States)

    1980-06-01

    I 20 .. I%25 1.4~ iu±.6 MICROCOPY RESOLUTION TESI CHARI 1 AIIONAL BURtAU Ua SIANDARDS I63 4 i’U 00 SVIC NOTES The weight saving advantages of...Reaponse of a Simple Pile Structure to Hernandez-Cano Wave Loading Instituto de Ingenieria, UNAM , DES, Facultad de N. Haritos and L K Stevens Ingenieria... UNAM , Mexico, DF., Mexico, Theory of 41 Machines and Mechanisms, Proc. of 5th World Con- The feedbowl is a device widely used by industry for feeding

  2. The Shock and Vibration Digest. Volume 14, Number 7

    Science.gov (United States)

    1982-07-01

    Application of Honeycomb and Abradable Seals • Grouting of Machinery and Structures • Trip and Throttle Valves for Steam Turbines: Design and...the Braking and Handling of Heavy Trucks. Volume 5 C.C. MacAdam and P.S. Fancher Highway Safety Res. Inst., Univ. of Michigan, Ann Arbor, Ml, Rept...re- sulted optimum confinement reinforcement was then used in the reaction corr.ars of partially grouted masonry concrete block cantilever walls

  3. The Shock and Vibration Digest. Volume 16, Number 5

    Science.gov (United States)

    1984-05-01

    rigidity ratio of the beams are discussed. S. Kaneko and S. Hayama Univ. of Tokyo, Hongo Bunkyo-ku, Tokyo, Japan, Bull. JSME, 26 (221), pp 1993-2001...Dynamic buckling of columns under axial step loading which Univ. of Tokyo, Hongo Bunkyo-ku, Tokyo, Japan, produces plastic behavior is investigated...Interaction: Y. Mohri and S. Hayama structure-fluid, Finite element technique Univ. of Tokyo, Hongo , Bunkyo-ku, Tokyo, Japan, A finite element method

  4. The Shock and Vibration Digest. Volume 16, Number 6

    Science.gov (United States)

    1984-06-01

    841200 Monotonie and Cyclic Crack Tip Plasticity L. Guerra -Rosa, CM. Branco.and J.C. Radon Centro de MecSnica c Materials da...Good, M.R 1115 Goodwin, M.J 1108 Goorjian, P.M 1081 Goraj,2.J 1282 Gross, D.W 1258 Gudmundson,P 1273 Guerra -Rosa, L 1200 Gunter, E.J 1035 Gupta...865-2897) 12-16 International Computers in Engineering Confer- ence and Exhibit [ASME] Las Vegas , NV (ASME HqeJ 19-25 XVIth International

  5. The Shock and Vibration Digest. Volume 16, Number 9

    Science.gov (United States)

    1984-09-01

    Cervical Spine Injury Mechanisms G.S. Nusholtz, D.E. Huelke, P. Lux, N.M. Alem, and 84-1965 F. Montalvo The Influence of Impact Energy and Direction on... cervical spine A test series using unembalmed cadavers was conducted to damage from impact to the crown of the head. The crown investigate thoracic...PA 1509 ASME. American Society of Mechanical Engineers SEE: Society of Environmental Erigineers 0_ United Engineering Center Owles Hall. Buntingf ord

  6. The Shock and Vibration Digest. Volume 15, Number 12

    Science.gov (United States)

    1983-12-01

    with the Relaps/MODI code to celaa- leaethe respo of a PWR pressrizer safety valve duringsa sturated steamcdischarg transient and a water wel discarg...Sons Ltd. LU3 3BL, UK Baff ins Lane Chichester, Sussex P019 IUD, England BROWN BOVERI REVIEW ( Brown Bavel Rev.) ELECTRONIC PRODUCTS Brown Boveri and Co...85 Brown , D ............ 288,399 Bhattacharya, S.K ......... 2453 Boresi, A.P ... .......... 590 Brown , D.L.. . . 1315, 1427, 1428, Bhatti, M

  7. The Shock and Vibration Digest. Volume 15, Number 6

    Science.gov (United States)

    1983-06-01

    vibra- tions over a wide range of strains. 83-1115 Rodiing of Slender Rigid Bodies Allowed to Uplift I.N. Psycharisand P.C. Jennings Div. of...Approach to Seianic Soil-Stnictuie Interaction Analysis Jen -Hwa Chen Ph.D. Thesis, Univ. of California, Berkeley, 161 pp (1982) DA8300453 Key Words...sample is demon- strated. The calculation method presented is based on mean slope of sequential Wohler curvet. This assures that the real fatigue

  8. The Shock and Vibration Digest, Volume 18, Number 2

    Science.gov (United States)

    1986-02-01

    Performance Robert A. Mercer, assistant vice-president, Network Compatibility Characteristics of Hearing Aids under Simu- Plnning Center, Bell...Communications Research, Inc. lated In-Situ Working Conditions Robert H. Preuser, assistant vice-president, Brooklyn Union Gas Co. ANSI S3.36-1985 Methods...1), pp 15 1-153 (May 8, 1985) J. Sound Vib., =iZ (4), pp 588-594 (Oct 22, . - 2 figs, 2 refs 1985) 4 figs, 7 refs S.H. Tank and M.H. Kuok F.A.A

  9. The Shock and Vibration Digest. Volume 15. Number 1

    Science.gov (United States)

    1983-01-01

    Christensen, R.E. Dafoe , O.M. 83-27 Hanner, and M.E. Wells Automoble Impact Fores on Concrete Wall Panels EG and G Idaho, Inc., Idaho Falls, ID, Rept. No...Bertrand, M ........ 129 Dafoe , R.E ............... 29 Gridley, D ............... 233 Bezine, G ........ 112 Datko, J.T ............... 132 Griffin, ONM

  10. The Shock and Vibration Digest. Volume 15, Number 5

    Science.gov (United States)

    1983-05-01

    in Piezoelectric Quartz Crystals," 15 :21 . -N Physical Acoustics Vol Xl, pp 245-288, Aca- 60. Carlson, D.E., "Linear Thermoelasticity ," En- demic... Thermoelasticity ," Bull. Acad. Pol- onaise Sci., Ser. Sci. Techn., 26 (2), pp 143- 52. Lothe, J. and Barnett, D.M., "On the Existence 150 (1978). of Surface Wave...plication. The system is unique in that it uses two refrigerant fluids and in that it consists of two rotating elements: a high- 83-947 speed

  11. The Shock and Vibration Digest, Volume 17, Number 9

    Science.gov (United States)

    1985-09-01

    results of research work on cylinders Lehrstuhl f. Konstruktive Gestaltung, Mies - excited to oscillate by flow within unbaffled van-der- Rohe Str. 1, 51...Nondeformable Mis - Implications for Man, Texas Tech Univ., siles," Nucl. Engrg. Des., 71, pp 79-88 Lubbock (June 1976). (1982). 19. Chang, W.S., "Impact of...the rotor-bearing process. interactions are discussed. Some of the operational difficulties associated with mis - alignments are described and the

  12. The Shock and Vibration Digest. Volume 18, Number 12

    Science.gov (United States)

    1986-12-01

    Technik Berlin, German Dem. Rep. PEINWERKTECHNIK UND HESSTECHNIK (Peinwerktech. u. Messtech.) Carl Hanser Verlag Kolbergerstr. 22 D-8000 München...Friedmann, P 1228 Friedrich , G 1402 Friesel , M.A 506 Fritzen, C.-P 1691 Frohrib, D.A 521 Froriep, R 2413 Fu, Chung C 1200 Fu, Hao-Jen...Galloping 677, 1093 Green function 48, 259, 1422, 1425 Grids (beam grids) 617, 2208 Gas i- ir ig i 1397 Grids (beams) 1417 Gauss

  13. The Shock and Vibration Digest. Volume 18, Number 1

    Science.gov (United States)

    1986-01-01

    transfer matrix methods, and an matrices; the elements are assembled into the integral evaluation of the Gauss -Lagrange scheme complete FE. Frequencies...measurements. simnierung and Auswahl vn Abgasschalldampferu fur gromere Dieselmotoren) -.F. Fleischer Friedrich -Ebert-Strasse 38, D-6945 Hirschberg 1 86-60 MTZ...Feinwerktech. u. Messtech.) INGENIEUR-ARGHIV Carl Hanser Verlag (Ing.-Arch.) Postfach 860420 Springer-Verlag New York, Inc. D-8000 Munchen 86 44 Hartz

  14. The Shock and Vibration Digest. Volume 12, Number 11,

    Science.gov (United States)

    1980-11-01

    pulc Dht~buUioO Unliited EDITORS RATTLE SPACE PRODUCTIVITY IN ENGINEERING In these times of inflation engineers are increasingly called upon to...comment on. Everyone -- engineers included -- suffers from the "I’ll do it myself" syndrome . Perhaps this trait arises from previous failures in...also studied by rate in representing these modes, partly because of Walker [15] using quadrilateral , finite shell elements; the warping of cross

  15. The Shock and Vibration Digest. Volume 13, Number 12

    Science.gov (United States)

    1981-12-01

    34small." The extending the analysis from simple laboratory test specimens familiar reed vibrometer exemplifies a small resonant sub- to treat more...mltd qualifications, a specially designed test fixture was founddetermining the capacitance of the hydrophone. Amplitude transmission ratios greater

  16. The Shock and Vibration Digest. Volume 14. Number 6

    Science.gov (United States)

    1982-06-01

    Interface T. Akiyoshi Dept. of Civil Engrg., Kumamoto Univ., Kumamoto 860, Japan, Earthquake Engrg. Struc. Dyn., 1£ (1), pp 135-148 (Jan-Feb 1982) 13...and J.R. Baumgarten Mech. Engrg. Dept., Stevens Inst. of Tech., Castle Point Station, Hoboken, NJ 07030, J. Appl. Me- chanics, Trans. ASME, 48 (4

  17. The Shock and Vibration Digest. Volume 16, Number 12

    Science.gov (United States)

    1984-12-01

    discrete data, and applications. The next chapter covers autore - including spectral estimation and the effects of -- gressive moving average models (ARMA...603 Elsentraut, O.K ............ 1629 Derecho , A.T ................ 134 Dowdell, J.K ............... 1217 Elshima, K

  18. The Shock and Vibration Digest. Volume 10, Number 12

    Science.gov (United States)

    1978-12-01

    W.D. PilkeyR.L. Bort A. Semmelink EDITORS J.D.C. Crisp E. SevinC.L. Dym J.G. Showalter D.J. Johns R.A. Skop G.H. Klein C.B. Smith A publication of K.E... Ishiyama , H ............. 1445 Jones, D.I.G ............. 974 1696 Ito, H ............. 1289,1337 Jones, N ............... 1124 Howes, H.E...EARTHQUAKE ENGINEERING Earthquake ENGINEERING MATERIALS AND DESIGN Engr. Matl. AND STRUCTURAL DYNAMICS Engr. Struc. IPC Industrial Press Ltd. Des. John

  19. The Shock and Vibration Digest. Volume 15. Number 2

    Science.gov (United States)

    1983-02-01

    i mg^wmmmmmt ■■„••",-»- BOOK REVIEWS STRUCTURAL DYNAMICS-AN INTRO- DUCTION TO COMPUTER METHODS R.R. Craig.Jr. John Wiley & Sons, New...Schenectady, NY 12345 STRUCTURAL DYNAMICS-AN INTRO- DUCTION TO COMPUTER METHODS R.R. Craig,Jr. John Wiley & Sons, New York, NY 1981, 527 pages...Bodies and Criteria for Overturning by Earthquake Excitations Y. Ishiyama 83-251 Reliability Procedure for Fixed Offshore Platfoims W.D. Anderson

  20. The Shock and Vibration Digest. Volume 12, Number 4.

    Science.gov (United States)

    1980-04-01

    Chairman for this meeting which I expect to be an out- standing forum on environmental technology. Thanks to Hank Caruso , the tech- nical program offers...design where neutron Irradiation effects are signifi- 21 cant. One of the problems discussed is irradiation- of noise sources in machinery, and noise...program, planned by Mr. Henry TAILORING FOR ELECTRONIC HARDWARE Caruso of Westinghouse Electric Co., is scheduled as a series of interdisciplinary

  1. The Shock and Vibration Digest. Volume 16, Number 3

    Science.gov (United States)

    1984-03-01

    sessions. ROTORDYNAMIC INSTABILITY PROBLEMS IN HIGH.PERFORMANCETURBOMACHINERY Contact: Michael L. Drake, Jessee Philips Center Dates: May 28-30, 1984...noise, Noise measurement and H. Knoche Army Aeromedical Res. Lab., Fort Rucker, AL, A noise measurement survey of helicopter operations was Rept. No...435 Gay, D ................. 507 Knabe, W ............... 482 Chamis, C.C .............. 493 Ghosh, P.K ............... 432 Knoche , H

  2. The Shock and Vibration Digest. Volume 16, Number 11

    Science.gov (United States)

    1984-11-01

    Computer Programs ..... 98 Human ..............58 Circuit Breakers) .... 77 Generators ........... 78 MECHANICAL COMPONENTS. 58 GENERAL TOPICS... evoutional approaches to the solution of suspen- sion bridge dynamic problems, the latter was studied in more detail and It was concluded t" ,t both...bleed orifice, isentropic compression process, single degree of freedom piston-cylinder dynamics, and the energy-equive- HUMAN lent linear damping

  3. The Shock and Vibration Digest. Volume 13, Number 5

    Science.gov (United States)

    1981-05-01

    analysis of rubber- Palmer [43, 44] considered the properties of mate- textile structures and a large body of experimental rials used in flat belt drives...Random Centre of Mechanics and Materials of the Technical Excitation at a Point Univ. of Lisbon, Instituto Superior Tecnico , Av. C.V.R. Reddy, N

  4. The Shock and Vibration Digest. Volume 17, Number 4

    Science.gov (United States)

    1985-04-01

    element technique Tokyo Univ., Hongo , Bunkyo-ku, Tokyo, Japan The objective of the study is to assess the Bull. JSME, Z (232), pp 2249-2257 (Oct...are exam- STRUCTURAL COMPONENTS pies of such systems. The analysis is re- stricted to systems of straight linearly elastic bars of constant sections

  5. The Shock and Vibration Digest. Volume 15, Number 7

    Science.gov (United States)

    1983-07-01

    modes. FIAT Auto S.p.A. - Direzione Tecnica - Sviluppo This paper presents the details of a modal test and analysis and the results of this...life Univ. of California, Irvine, CA, Intl. J. Earthquake"""Ungrv. oftCalifrna, Irvine, CA, pnl 179-206 E ar e This paper describes the causes of...Equipment response, Signal processing tech- J.G. Gimenez and L.1. Carrascosa niques, Modal tests, Finite element technique, Seismic Escuela Tecnica Superior

  6. The Shock and Vibration Digest. Volume 13, Number 6

    Science.gov (United States)

    1981-06-01

    Proposal M. Filippi and R. Pompoli Istituto di Fisica Tecnica e Impianti Nucleari, Poli- tecnico, Corso Duca degli Abru/zi No. 24, Turin, Italy...annoyance due to high level low frequency noise, the use of the Per- ceived Noise Level ( PNL ) in PNdB was considered. It was found that the PNL extended...to include lower frequencies down to the 26 Hij octave band was superior to the standard PNL . 81-1232 Relationihip between Track Ride Quality and

  7. The Shock and Vibration Digest. Volume 17. Number 3

    Science.gov (United States)

    1985-03-01

    Wave Spectra C. Guedes Soares Instituto Superior Tecnico, Universidade 8-304 Tecnica de Lisboa, Portugal Influence of Payload n the Dynamic Ocean Engrg... PNL -5125-VOL-l-2, 44 pp (June -MONITORING 1984) NUREG/CR-3825-V1-V2 KEY WORDS: Monitoring techniques, Nu- clear power plants, Acoustic emission

  8. The Shock and Vibration Digest. Volume 14, Number 8

    Science.gov (United States)

    1982-08-01

    Basic Concepts: a two- 41 ■(M*M».-.Tf.:v-- day heuristic overview of the fundamentall of under- water acoustics, including general acoustics, sonar...process ere examined. 82-1622 Coupled WaBa in EuHupiike-Retistant Buildiap: Parametric Investigation and Deagn Procedure M. Saatcioglu, A.T. Derecho ...Stracturai Wals. De- velopment of Design Procedure • Design Force Levels A.T. Derecho , M. Iqbal, S.K. Ghosh, M. Fintel, and W.G. Corley Construction

  9. The Shock and Vibration Digest. Volume 17. Number 6

    Science.gov (United States)

    1985-06-01

    the of the New Hong Kong and Shanghai Bank- Environment, Garston, Watford WD2 7JR, ing Corporation Headquarters, Hong Kong UK M.R. Willford Engrg...and Dynamic Bvalua- tionas for a Maglev Vehicle with a Com- bined Lift and Guidance Suspension System W. Kortuim, A. Utzt 85-1111 DFVLR, Inst. for...Solo Sommario, Na- ( MAGLEV ) control law design based on ples, pp 25-28 (Oct 1983), N84-27732 (In design models and dynamic simulations with Italian

  10. The Shock and Vibration Digest. Volume 12, Number 8,

    Science.gov (United States)

    1980-08-01

    55 refs Key Words: Helicopter rotors, Rotor (machine elements), A. Numazawa , S. Kubo, Y. Shindo, and S. Moroto Noise reduction, Noise generation Toyota...Ioi, T ................. 1898 Leftheris, B.P ............ 1836 Numazawa , A ........... 1759 Irie, T ................. 1858 Legendre, P.J

  11. The Shock and Vibration Digest. Volume 12, Number 12,

    Science.gov (United States)

    1980-12-01

    611 Nozick, H.J.............. 939 Oskard, M .S .. ..... ... 2437 Nettleton, R.H ........... 2650 Numazawa , A ........... 1759 Osman, M.M...H.J .............. 939 Oskard, M.S ............. 2437 Nettleton, R.H ........... 2650 Numazawa , A ........... 1759 Osman, M.M ............ 2688

  12. The Shock and Vibration Digest. Volume 14, Number 12

    Science.gov (United States)

    1982-12-01

    Recommendations for Field Meamranents of Air- Exterior Noise Fields. Phase 2: Models for Sidewall craft Noise Trim, Stiffened Structures and Cabin Acoustics with...engine structures and cabin acoustics with floor partition are devel- parameters and atmospheric conditions. Recommendations oped. Validation studies

  13. The Shock and Vibration Digest. Volume 16, Number 1

    Science.gov (United States)

    1984-01-01

    Coordinating Group on Aircraft Survivabil- ity. 8444 At . * Interior Noise Models: Sidewall Trim, Stiff- en. ’ ’ auctures, and Cabin Acoustics with Floor...considered for inclusion of sidewall trim, stiffened structures, and cabin acoustics with floor partition. For validation purposes, predictions of the noise

  14. The Shock and Vibration Digest. Volume 12, Number 5.

    Science.gov (United States)

    1980-05-01

    squeeze - film damper bearings of various configurations. The analysts in this report is...Japan, Bull. form design. JSME, 22 (173), pp 1678-1684 (Nov 1979) 13 figs, 3 refs Key Words: Squeeze film bearings , Squeeze film dampers , Stiffness...an iterativeMECHANICAL SYSTEMS process using amplitude dependent linearized squeeze film damper parameters. ROTATING MACHINES (Also see Nos.

  15. The Shock and Vibration Digest, Volume 16, Number 10

    Science.gov (United States)

    1984-10-01

    bearing technology in including turbogenerator rotors, bow behavior, the design, development and diagnostics of industrial squeeze - film dampers for... Squeeze film bearings , Flu,d .nduced ARO-17064.7-EG, 28 pp (Jan 1984) excitation AD-A138 054 Direct measurements of damper forces are presented fur the...of Uncentralized Squeeze Film This results in bearing raceways that are low in structural Dampers stiffness. They can conform to the structural

  16. The Shock and Vibration Digest. Volume 16, Number 7

    Science.gov (United States)

    1984-07-01

    Degrees-of-Freedon filled annulli of squeeze film and journal bearings so as to K. Matsuura model the transient response of rotor- bearing -stator...An Adaptive Squeeze - Film Bearing C.R. Burrows, M.N. Sahinkaya, and O.S. Turkay 84-1420 Univ. of Strathclyde, Glasgow, UK, J. Tribology, Theory and...and R.C. Murphy Ingersoll-Rand Co., Phillipsburg, NJ 08865, J. Vib., Key Words: Berings, Squeeze film dampers , Squeeze film Acoust., Stress, Rel. Des

  17. The Shock and Vibration Digest. Volume 12, Number 7,

    Science.gov (United States)

    1980-07-01

    initial Analytical and experimental investigation with the operation of large Deriaz pumps have been studied squeeze - film damper [15, 16] showed the...existence (251; a procedure for satisfactory operation is de- of an intershaft viscous damper instability. The scribed. squeeze - film damper was explored...analytically and experimentally at an intershaft bearing location. It was shown that the rotating squeeze - film generates Compressors. The increasing use

  18. The Shock and Vibration Digest. Volume 15, Number 11

    Science.gov (United States)

    1983-11-01

    including turbogenerator rotors, bow behavior, AZ 85018 - (602) 945-4603/946-7333. squeeze - film dampers for turbomachinery, advanced concepts in... squeeze - film J.P. Bandstra dampers . Div. of Engrg. Tech., Univ. of Pittsburgh at Johns- town, Johnstown, PA 15904, J. Vib. Acoust. Stress 4 Rel. Des...analysis; and machinery characteristics. The include gears, bearings (fluid film and antifriction), techniques will be illustrated with case histories

  19. The Shock and Vibration Digest. Volume 14, Number 11

    Science.gov (United States)

    1982-11-01

    Squeez Film Damper Bearing 82-2294 J.A. Palladino and T.W. Gray Understand Criticd Speed of Pumps to... Bearings , Squeeze film dampers Key Words: Pumps, Critical speeds This pop demonstrates that the use of a plain, uncentral- lried, squeOre film dumper to... film ref s damper with linear centering spring. The damper fluid fore figs, are determined from the short bearing , cavitated solution of (In

  20. The Shock and Vibration Digest, Volume 12, Number 9,

    Science.gov (United States)

    1980-09-01

    the provisions. These methods include decision logic tables for examining Sismic Waves individual provisions, information networks for representing J.R...to the development of limited slip reinforced concrete structures. bolted joints and the Investigation of the sismic response 46 of buildings using...the rated speed. The resultant radiated noise was largely attenuated by employing simple shielding arranged to form a tunnel around the engine and