WorldWideScience
1

Stretched DNA Investigated Using Molecular-Dynamics and Quantum-Mechanical Calculations  

UK PubMed Central (United Kingdom)

AbstractWe combined atomistic molecular-dynamics simulations with quantum-mechanical calculations to investigate the sequence dependence of the stretching behavior of duplex DNA. Our...Full Text Available

2010-01-06

2

Quantum simulation of molecular interaction and dynamics at surfaces  

British Library Electronic Table of Contents (United Kingdom)

The interaction between molecules and solid surfaces plays important roles in various applications, including catalysis, sensors, nanoelectronics, and solar cells. Surprisingly, a full understanding of molecule-surface interaction at the quantum mechanical level has not been achieved even for very simple molecules, such as water. In this mini-review, we report recent progresses and current status of studies on interaction between representative molecules and surfaces. Taking water/metal, DNA bases/carbon nanotube, and organic dye molecule/oxide as examples, we focus on the understanding on the microstructure, electronic property, and electron-ion dynamics involved in these systems obtained from first-principles quantum mechanical calculations. We find that a quantum mechanical description ...

2011-01-01

4

Ab initio calculations in a uniform magnetic field using periodic supercells  

Energy Technology Data Exchange (ETDEWEB)

We present a formulation of ab initio electronic structure calculations in a finite magnetic field, which retains the simplicity and efficiency of techniques widely used in first principles molecular dynamics simulations, based on plane-wave basis sets and Fourier transforms. In addition we discuss results obtained with this method for the energy spectrum of interacting electrons in quantum wells, and for the electronic properties of dense fluid deuterium in a uniform magnetic field.

2003-10-21

5

Controllable Subspaces of Open Quantum Dynamical Systems  

International Nuclear Information System (INIS)

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

2008-01-15

6

Control and Dynamic Approach to Robust Quantum Computing.  

Science.gov (United States)

During the entire performance period, from 12 May 2003 through 31 December 2006, we have conducted theoretical and computational research on quantum control problems central to quantum computation. In particular we completed a thorough and rigorous analys...

2006-01-01

7

Quantum and semiclassical spin networks: from atomic and molecular physics to quantum computing and gravity  

Energy Technology Data Exchange (ETDEWEB)

The mathematical apparatus of quantum-mechanical angular momentum (re)coupling, developed originally to describe spectroscopic phenomena in atomic, molecular, optical and nuclear physics, is embedded in modern algebraic settings which emphasize the underlying combinatorial aspects. SU(2) recoupling theory, involving Wigner's 3nj symbols, as well as the related problems of their calculations, general properties, asymptotic limits for large entries, nowadays plays a prominent role also in quantum gravity and quantum computing applications. We refer to the ingredients of this theory-and of its extension to other Lie and quantum groups-by using the collective term of 'spin networks'. Recent progress is recorded about the already established connections with the mathematical theory of discrete orthogonal polynomials (the so-called Askey scheme), providing ...

2008-11-15

8

Investigations of electronic transitions and photodissociation of the bromine molecule  

Science.gov (United States)

The electronic transitions and photodissociation of the bromine molecule were studied in the visible-near UV continuum using dynamic simulation. The molar extinction coefficients in this study were obtained in numerical calculations. The quantum yields of the spin-orbit Br*(2 P 1/2) product at different photon frequencies were determined. Time-dependent density functional theory was used to analyze the highest five occupied and lowest five unoccupied Br2 orbitals. The transition to the 1? u state was found to be most probable in the visible-near UV absorption range.

2008-12-01

9

Loop quantum cosmology of Bianchi type IX models  

International Nuclear Information System (INIS)

The loop quantum cosmology 'improved dynamics' of the Bianchi type IX model are studied. The action of the Hamiltonian constraint operator is obtained via techniques developed for the Bianchi type I and type II models, no new input is required. It is shown that the big bang and big crunch singularities are resolved by quantum gravity effects. We also present effective equations which provide quantum geometry corrections to the classical equations of motion.

2010-08-15

10

Algebraic Topology Foundations of Supersymmetry and Symmetry Breaking in Quantum Field Theory and Quantum Gravity: A Review  

CERN Document Server

A novel algebraic topology approach to supersymmetry (SUSY) and symmetry breaking in quantum field and quantum gravity theories is presented with a view to developing a wide range of physical applications. These include: controlled nuclear fusion and other nuclear reaction studies in quantum chromodynamics, nonlinear physics at high energy densities, dynamic Jahn-Teller effects, superfluidity, high temperature superconductors, multiple scattering by molecular systems, molecular or atomic paracrystal structures, nanomaterials, ferromagnetism in glassy materials, spin glasses, quantum phase transitions and supergravity. This approach requires a unified conceptual framework that utilizes extended symmetries and quantum groupoid, algebroid and functorial representations of non-Abelian higher dimensional structures pertinent to quantized spacetime topology and state ...

2009-01-01

11

Quantum computing and the chaotic amplifier  

Energy Technology Data Exchange (ETDEWEB)

A new model for computations is considered which combines the quantum computer with the chaotic dynamics amplifier, based on the logistic map. We discuss the satisfiability problem and argue that the problem can, in principle, be solved in polynomial time if one uses the new model for computations.

2003-12-01

12

Quantum coherence in ion channels: resonances, transport and verification  

Energy Technology Data Exchange (ETDEWEB)

Recently it was demonstrated that long-lived quantum coherence exists during excitation energy transport in photosynthesis. It is a valid question up to which length, time and mass scales quantum coherence may extend, how one may detect this coherence and what, if any, role it plays in the dynamics of the system. Here we suggest that the selectivity filter of ion channels may exhibit quantum coherence, which might be relevant for the process of ion selectivity and conduction. We show that quantum resonances could provide an alternative approach to ultrafast two-dimensional (2D) spectroscopy to probe these quantum coherences. We demonstrate that the emergence of resonances in the conduction of ion channels that are modulated periodically by time-dependent external electric fields can serve as signatures of quantum coherence in such a system. ...

2010-08-15

13

Quantum molecular dynamics and molecular interactions studied by NMR and INS[Nuclear magnetic resonance; Proton tunnelling; Hydrogen bond  

Energy Technology Data Exchange (ETDEWEB)

The wavefunction of a particle extends into the classically forbidden barrier region of the potential energy surface. The consequence of this partial delocalisation is the phenomenon of quantum tunnelling, an effect which enables a particle to penetrate a potential barrier of magnitude greater than the energy of the particle. The tunnelling probability is an exponential function of the particle mass. The effect is therefore an important contribution to the behaviour of light atoms, in particular the proton. The hydrogen bond has long been appreciated to be an essential component of many biological and chemical systems, and the proton transfer reaction in the hydrogen bond is fundamental to many of these processes. The proton behaviour in the hydrogen bonds of benzoic acid, acetylacetone and calix-4-arene has been studied. A variety of techniques, both experimental and computational, were adopted for the study of the three hydrogen bonded systems. The complementary ...

2002-07-01

14

Formation of pentagonal Cu nano wires  

Energy Technology Data Exchange (ETDEWEB)

The development of nano/molecular devices will require atomic-sized electrical contacts or nano metric conductors for wiring. As metal nano wires exhibit quantized conductance at room temperature, quantum transport effects will play an important role in the practical implementation of nano devices. As copper is currently used as interconnecting metal in standard microelectronics, the characterization of Cu nano wire properties deserves special attention. In this work, we show a detailed study of structural and electronic properties of atomic-sized Cu wires. In particular, we have established a complete correlation between the conductance and the structure by associating real-time atomic resolution transmission electron microscopy imaging with molecular dynamic simulations, conductance measurements and conductance calculations. Our study has revealed the structural relaxation of Cu wires forming a pentagonal atomic ...

2004-07-01

15

Constraining Parity Violation in Gravity with Measurements of Neutron-Star Moments of Inertia  

CERN Document Server

Neutron stars are sensitive laboratories for testing general relativity, especially when considering deviations where velocities are relativistic and gravitational fields are strong. One such deviation is described by dynamical, Chern-Simons modified gravity, where the Einstein-Hilbert action is modified through the addition of the gravitational parity-violating Pontryagin density coupled to a field. This four-dimensional effective theory arises naturally both in perturbative and non-perturbative string theory, loop quantum gravity, and generic effective field theory expansions. We calculate here Chern-Simons modifications to the properties and gravitational fields of slowly spinning neutron stars. We find that the Chern-Simons correction affects only the gravitomagnetic sector of the metric to leading order, thus introducing modifications to the moment of inertia but not to the mass-radius relation. We show that an ...

2009-01-01

16

Quantum computing using molecular electronic and vibrational states  

Energy Technology Data Exchange (ETDEWEB)

We numerically constructed elementary phase-correct global quantum gates by using molecular electronic and vibrational states to encode two qubits and implement the Deutsch-Jozsa algorithm. The calculations were based on optimal control theory (OCT). The molecular species we chose were Na{sub 2} and Li{sub 2}. The electronic X{sup 1}{sigma}{sub g}{sup +} and A{sup 1}{sigma}{sub u}{sup +} states were taken as two orthonormalized energy levels of the electronic qubit. The vibrational qubits were those involved in these electronic states. The time duration of the optimized pulses with high fidelity was typically 500-900 fs, which reflects the wavepacket dynamics in electronically ground and excited states. When implementing the Deutsch-Jozsa algorithm by combining these elementary gates, we obtained a maximum probability 83.12% for Li{sub 2} molecule, which indicates that the electronic-vibrational qubits are worse than the ...

2008-01-22

17

A generic quantum walk using a coin-embedded shift operator  

CERN Document Server

The study of quantum walk process has been widely divided into the two standard variants, the discrete-time quantum walk (DTQW) and the continuous-time quantum walk (CTQW). The connection between the two variants has been established by considering limiting value of the coin operation parameter in the DTQW and the coin degree of freedom is show to be unnecessary [26]. But the coin degree of freedom is an additional resource which can be exploited to control the dynamics of the QW process. In this paper we present a generic quantum walk (QW) model using a quantum coin-embedded unitary shift operation U_{C}. The standard version of the DTQW and the CTQW can be conveniently retrieved from this generic model retaining the features of the coin degree of freedom in both the variants.

2008-01-01

18

Effect of the repulsive core on the exciton spectrum in a quantum ring  

Energy Technology Data Exchange (ETDEWEB)

A theoretical study of an exciton confined in a quantum ring is presented. The quantum ring is described as a two-dimensional circular quantum dot with a repulsive core, which is modelled with the help of two Gaussian functions. We have applied the variational method and investigated the evolution of the low-energy exciton spectrum with the change of the confinement potential. The calculations have been performed for the recently produced self-assembled ring-shaped InGaAs quantum dots. We have shown that the repulsive core strongly increases the radiative transition probability from the exciton ground state at the expense of the decreasing probability of the transitions from the excited states. This effect results from the orthogonality properties of the exciton wavefunctions, which are specific to the quantum-ring confinement potential. We have studied the ...

2002-01-14

19

Why we don`t need quantum planetary dynamics, or on decoherence and the correspondence principle for chaotic systems  

Energy Technology Data Exchange (ETDEWEB)

Violation of correspondence principle may occur for very macroscopic byt isolated quantum systems on rather short timescales as illustrated by the case of Hyperion, the chaotically tumbling moon of Saturn, for which quantum and classical predictions are expected to diverge on a timescale of approximately 20 years. Motivated by Hyperion, we review salient features of ``quantum chaos`` and show that decoherence is the essential ingredient of the classical limit, as it enables one to solve the apparent paradox caused by the breakdown of the correspondence principle for classically chaotic systems.

1995-08-01

20

All Optical Switch of Vacuum Rabi Oscillations: The Ultrafast Quantum Eraser  

CERN Document Server

We study the all-optical time-control of the strong coupling between a single cascade three-level quantum emitter and a microcavity. We find that only specific arrival-times of the control pulses succeed in switching-off the Rabi oscillations. Depending on the arrival times of control pulses, a variety of exotic non-adiabatic cavity quantum electrodynamics effects can be observed. We show that only control pulses with specific arrival times are able to suddenly switch-off and -on first-order coherence of cavity photons, without affecting their strong coupling population dynamics. Such behavior may be understood as a manifestation of quantum complementarity.

2010-01-01

21

Extension of QMD to the relativistic region and the calculation of proton induced reactions  

Energy Technology Data Exchange (ETDEWEB)

When quantum molecular dynamics (QMD) is applied to the nuclear reactions in theory of relativity region, a number of problems arise, and in order to solve them, the prescription of the extension of ordinary nonrelativistic QMD is introduced, and the analysis of proton incidence reaction by using it is shown. By introducing the interaction corresponding to Lorentz transformation, the problems were solved. QMD is the semiclassical simulation that treats the motion of nucleons represented by Gauss wave packet. The motion of wave packet center is expressed by Newton equations and two-nucleon collision. The introduction of the interaction corresponding to Lorentz transformation is explained. As the result of the introduction, through the relative distance of two particles, the interaction becomes to depend on momentum. The phase distribution function of one body corresponding to Lorentz transformation is used for calculating ...

1995-06-01

22

Nonlinear evolution of coarse-grained quantum systems with generalized purity constraints  

CERN Document Server

Constrained quantum dynamics is used to propose a nonlinear dynamical equation for pure states of a generalized coarse-grained system. The relevant constraint is given either by the generalized purity or by the generalized invariant fluctuation, and the coarse-grained pure states correspond to the generalized coherent i.e. generalized nonentangled states. Open system model of the coarse-graining is discussed. It is shown that in this model and in the weak coupling limit the constrained dynamical equations coincide with an equation for pointer states, based on Hilbert-Schmidt distance, that was previously suggested in the context of the decoherence theory.

2010-01-01

23

Modelling fragmentations of amino-acids after resonant electron attachment: quantum evidence of possible direct -OH detachment  

International Nuclear Information System (INIS)

We investigate some aspects of the radiation damage mechanisms in biomolecules, focusing on the modelling of resonant fragmentation caused by the attachment of low-energy electrons (LEEs) initially ejected by biological tissues when exposed to ionizing radiation. Scattering equations are formulated within a symmetry-adapted, single-center expansion of both continuum and bound electrons, and the interaction forces are obtained from a combination of ab initio calculations and a nonempirical model of exchange and correlation effects developed in our group. We present total elastic scattering cross-sections and resonance features obtained for the equilibrium geometries of glycine, alanine, proline and valine. Our results at those geometries of the target molecules are briefly shown to qualitatively explain some of the fragmentation patterns obtained in experiments. We further carry out a one-dimensional (1D) modeling for the dynamics of ...

2010-10-01

24

Quantum probabilities: an information-theoretic interpretation  

CERN Document Server

This Chapter develops a realist information-theoretic interpretation of the nonclassical features of quantum probabilities. On this view, what is fundamental in the transition from classical to quantum physics is the recognition that \\emph{information in the physical sense has new structural features}, just as the transition from classical to relativistic physics rests on the recognition that space-time is structurally different than we thought. Hilbert space, the event space of quantum systems, is interpreted as a kinematic (i.e., pre-dynamic) framework for an indeterministic physics, in the sense that the geometric structure of Hilbert space imposes objective probabilistic or information-theoretic constraints on correlations between events, just as the geometric structure of Minkowski space in special relativity imposes spatio-temporal kinematic constraints on events. The interpretation of ...

2010-01-01

25

Vacuum structures in Hamiltonian light-front dynamics  

Energy Technology Data Exchange (ETDEWEB)

Hamiltonian light-front dynamics of quantum fields may provide a useful approach to systematic nonperturbative approximations to quantum field theories. The authors investigate inequivalent Hilbert-space representations of the light-front field algebra in which the stability group of the light front is implemented by unitary transformations. The Hilbert space representation of states is generated by the operator algebra from the vacuum state. There is a large class of vacuum states besides the Fock vacuum which meets all the invariance requirements. The light-front Hamiltonian must annihilate the vacuum and have a positive spectrum. Relations are exhibited of the Hamiltonian to the nontrivial vacuum structure. 30 refs.

1994-03-01

26

Determination of Scaling Parameter and Dynamical Resonances in Complex-Rotated Hamiltonian II: Numerical Analysis  

International Nuclear Information System (INIS)

This paper is concerned with the determination of a unique scaling parameter in complex scaling analysis and with accurate calculation of dynamics resonances. In the preceding paper we have presented a theoretical analysis and provided a formalism for dynamical resonance calculations. In this paper we present accurate numerical results for two non-trivial dynamical processes, namely, models of diatomic molecular predissociation and of barrier potential scattering for resonances. The results presented in this paper confirm our theoretical analysis, remove a theoretical ambiguity on determination of the complex scaling parameter, and provide an improved understanding for dynamical resonance calculations in rigged Hilbert space.

2008-03-15

27

The high-density regime of kinetic-dominated loop quantum cosmology  

CERN Document Server

We study the dynamics of states perturbatively expanded about a harmonic system of loop quantum cosmology, exhibiting a bounce. In particular, the evolution equations for the first and second order moments of the system are analyzed. These moments back-react on the trajectories of the expectation values of the state and hence alter the energy density at the bounce. This analysis is performed for isotropic loop quantum cosmology coupled to a scalar field with a small but non-zero constant potential, hence in a regime in which the kinetic energy of matter dominates. Analytic restrictions on the existence of dynamical coherent states and the meaning of semi-classicality within these systems are discussed. A numerical investigation of the trajectories of states that remain semi-classical across the bounce demonstrates that, at least for such states, the bounce persists and that its properties are similar to ...

2010-01-01

28

Systematics in inclusive neutron production cross sections of intermediate energy heavy ions  

International Nuclear Information System (INIS)

Benchmark calculations of differential neutron yields were made for intranuclear cascade evaporation (INCE) codes HETC/KFA1 and HIC, and a quantum molecular dynamics (QMD) code. The INCE model showed fairly well productibility of the data. The QMD generally gave better results than the INCE model. At lower energies, the QMD gave overprediction to the measured data, but the relative variation of the data was very well reproduced by the method. Neutron production cross sections were systematically estimated at 337 MeV/u for combinations of several projectiles and targets. Using the obtained cross sections, analytical expressions for cross sections of equilibrium and nonequilibrium neutron productions previously proposed at lower energy range through the analysis of experimental data, were extended to the higher energy. The extended expressions well reproduced the systematic behaviors of the cross sections for the variation of ...

29

An effective approach to the problem of time: general features and examples  

CERN Document Server

The effective approach to quantum dynamics allows a reformulation of the Dirac quantization procedure for constrained systems in terms of an infinite-dimensional constrained system of classical type. For semiclassical approximations, the quantum constrained system can be truncated to finite size and solved by the reduced phase space or gauge-fixing methods. In particular, the classical feasibility of local internal times is directly generalized to quantum systems, overcoming the main difficulties associated with the general problem of time in the semiclassical realm. The key features of local internal times and the procedure of patching global solutions using overlapping intervals of local internal times are described and illustrated by two quantum mechanical examples. The choice of time is tantamount to a choice of gauge at the effective level and changing the clock is, therefore, ...

2010-01-01

30

NASTRAN nonlinear dynamic transient accident analysis for FFTF reactor component  

International Nuclear Information System (INIS)

... computer calculations fftf reactor nonlinear problems reactor accidents reactor

1976-11-14

32

The quantum Zeno paradox revisited: the time evolution for a two-level system interacting with a reservoir  

Energy Technology Data Exchange (ETDEWEB)

We revisited the quantum Zeno paradox, which claims that a generic quantum system prepared in a state which is not an eigenstate of the Hamiltonian operator and is continuously observed never decays. Since any perfectly isolated quantum system always interact with a vacuum field, we analyze the possibility of using this fact to solve the above mentioned conceptual problem. Therefore we discuss a two-level system or qubit-Bose field interaction Hamiltonians. We consider the quantum dynamics of this two-level system, prepared in the excited state interacting with a Bose field prepared in the Poincare invariant vacuum state. Using a first-order approximation in time-dependent perturbation theory, we evaluate the probability of spontaneous decay of the two-level system driven by the vacuum field. This probability is evaluated for a finite time interval. Using the standard argument to ...

2006-12-15

33

Efficiency of selective IR multiphoton dissociation of molecules in a pulsed gas-dynamic flow interacting with a solid surface  

International Nuclear Information System (INIS)

Isotopically selective IR multiphoton dissociation of molecules (SF_6, CF_3I) in a pulsed gas-dynamic flow interacting with a solid surface was studied for the first time. A noticeable (severalfold) increase in the yield of products (compared to excitation of molecules in an unperturbed flow) without a substantial decrease in the selectivity of the process was observed. Possible reasons for the effect are discussed. (laser applications and other topics in quantum electronics)

2000-08-31

34

Algebraic description of perturbation theory in quantum electrodynamics  

Energy Technology Data Exchange (ETDEWEB)

An algebraic formulation of the electromagnetic field in which various quantization procedures can be described was chosen to discuss perturbation calculations. It is shown that the Feynman rules and the second order calculation of the self-energy of the electron can be developed on the basis of the Fermi method of quantization. The algebraic approach clarifies the problems in defining the vacuum and other states which are associated with calculations in terms of field algebra operators. It is demonstrated that the vacuum state defined on the field algebra by Schwinger leads to incorrect results in the self-energy calculation.

1982-01-01

35

Effective Dynamics, Big Bounces and Scaling Symmetry in Bianchi Type I Loop Quantum Cosmology  

CERN Document Server

The detailed formulation for loop quantum cosmology (LQC) in the Bianchi I model with a scalar massless field has been constructed. In this paper, its effective dynamics is studied in two improved strategies for implementing the LQC discreteness corrections. Both schemes show that the big bang is replaced by the big bounces, which take place up to three times, once in each diagonal direction, when the area or volume scale factor approaches the critical values in the Planck regime measured by the reference of the scalar field momentum. These two strategies give different evolutions: In one scheme, the effective dynamics is independent of the choice of the finite sized cell prescribed to make Hamiltonian finite; in the other, the effective dynamics reacts to the macroscopic scales introduced by the boundary conditions. Both schemes reveal interesting symmetries of scaling, which are reminiscent of the ...

2007-01-01

36

Designed defects in 2D antidot lattices for quantum information processing  

DEFF Research Database (Denmark)

We propose a new physical implementation of spin qubits for quantum information processing, namely defect states in antidot lattices defined in the two-dimensional electron gas (2DEG) at a semiconductor heterostructure. Calculations of the band structure of a periodic antidot lattice are presented. A point defect is created by removing a single antidot, and calculations show that localized states form within the defect, with an energy structure which is robust against thermal dephasing. The exchange coupling between two electrons residing in two tunnel-coupled defect states is calculated numerically. We find results reminiscent of double quantum dot structures, indicating that the suggested structure is a feasible physical implementation of spin qubits.

2008-01-01

37

Quantum information processing in nanostructures[Quantum optics; Quantum computing  

Energy Technology Data Exchange (ETDEWEB)

Since information has been regarded os a physical entity, the field of quantum information theory has blossomed. This brings novel applications, such as quantum computation. This field has attracted the attention of numerous researchers with backgrounds ranging from computer science, mathematics and engineering, to the physical sciences. Thus, we now have an interdisciplinary field where great efforts are being made in order to build devices that should allow for the processing of information at a quantum level, and also in the understanding of the complex structure of some physical processes at a more basic level. This thesis is devoted to the theoretical study of structures at the nanometer-scale, 'nanostructures', through physical processes that mainly involve the solid-state and quantum optics, in order to propose reliable schemes for the processing of quantum ...

2002-07-01

38

Quantum mechanical interpretation for the role of polyamines in acid corrosion inhibition  

International Nuclear Information System (INIS)

The inhibitor action of unbranched polyamines on corrosion of low-carbon steel in 0.5 M sulfuric acid is studied through potentiostatic polarization curves. It is shown that the inhibitor efficiency I depends on the polyamine concentration and molecular structure. The quantum-mechanical calculations of molecular properties are accomplished through the MNDO method. Correlation between the measured I and physicochemical properties of the polyamine inhibitors in protonized and nonprotonized form is found with application of the general perturbation theory

39

A classical model for the magnetic field-induced Wigner crystallization in quantum dots  

Energy Technology Data Exchange (ETDEWEB)

A classical model is presented for magnetic field-induced Wigner crystallization in electron systems confined within two-dimensional quantum dots. In contrast to other classical models, this one does not treat an electron as a point charge; the electron density is assumed to take a Gaussian form corresponding to the lowest Landau level. Using a Monte Carlo method we have determined the equilibrium configurations as functions of the magnetic field. We have found a classical counterpart of the quantum maximum density droplet (MDD) and studied the breakdown of the MDD into a Wigner molecule as well as the transformations of the Wigner molecule shape induced by the external magnetic field. The phase diagram for the classical Wigner molecules has been presented and its qualitative agreement with previous quantum mechanical calculations has been shown.

2004-03-03

40

Quantum tunnelling for Hawking radiation from a dynamical Black Hole  

CERN Document Server

The paper deals with Hawking radiation related to non-static spherically symmetric black hole. Quantum corrections are incorporated using Hamilton-Jacobi method beyond semi-classical approximation. It is found that different order correction terms satisfy identical differential equation as the semiclassical action and are solved by a typical technique. It has been shown that with proper choice of the proportionality factors, one loop back reaction effect in the space time can be obtained. Finally, using the law of black hole mechanics, a general modified form of the black hole entropy is obtained considering modified Hawking temperature.

2011-01-01

41

A Hamiltonian Formulation of the BKL Conjecture  

CERN Document Server

The Belinskii, Khalatnikov and Lifshitz conjecture \\cite{bkl1} posits that on approach to a space-like singularity in general relativity the dynamics are well approximated by `ignoring spatial derivatives in favor of time derivatives.' In \\cite{ahs1} we examined this idea from within a Hamiltonian framework and provided a new formulation of the conjecture in terms of variables well suited to loop quantum gravity. We now present the details of the analytical part of that investigation. While our motivation came from quantum considerations, thanks to some of its new features, our formulation should be useful also for future analytical and numerical investigations within general relativity.

2011-01-01

42

Information detective quantum efficiency of X-ray film-intensifier foil systems  

Energy Technology Data Exchange (ETDEWEB)

The capability of screen-film combinations of detection and representation of information is described by the detective quantum efficiency (DQE). The DQE may be calculated from the sensitivity, the gradient of the characteristic curve, the modulation transfer function and the Wiener spectrum. These parameters have been determined for fourteen screen-film combinations and the DQE's have been calculated. It is shown that the low frequency region the DQE does not depend on spatial frequency. This constant level of DQE is mostly dependent on the absorbance of the screens. Consequences from this fact, as well for the manufacturer as for the user of the screens, are discussed.

1988-04-01

43

Information detective quantum efficiency of X-ray film-intensifier foil systems  

International Nuclear Information System (INIS)

The capability of screen-film combinations of detection and representation of information is described by the detective quantum efficiency (DQE). The DQE may be calculated from the sensitivity, the gradient of the characteristic curve, the modulation transfer function and the Wiener spectrum. These parameters have been determined for fourteen screen-film combinations and the DQE's have been calculated. It is shown that the low frequency region the DQE does not depend on spatial frequency. This constant level of DQE is mostly dependent on the absorbance of the screens. Consequences from this fact, as well for the manufacturer as for the user of the screens, are discussed. (orig.).

44

Dissipation and entropy production in open quantum systems  

Energy Technology Data Exchange (ETDEWEB)

A microscopic description of an open system is generally expressed by the Hamiltonian of the form: H{sub tot} = H{sub sys} + H{sub environ} + H{sub sys-environ}. We developed a microscopic theory of entropy and derived a general formula, so-called 'entropy-Hamiltonian relation' (EHR), that connects the entropy of the system to the interaction Hamiltonian represented by H{sub sys-environ} for a nonequilibrium open quantum system. To derive the EHR formula, we mapped the open quantum system to the representation space of the Liouville-space formulation or thermo field dynamics (TFD), and thus worked on the representation space L := H x H-tilde, where H denotes the ordinary Hilbert space while H-tilde the tilde Hilbert space conjugates to H. We show that the natural transformation (mapping) of nonequilibrium open quantum systems is accomplished within the theoretical structure of TFD. By ...

2010-11-01

45

Quantum adiabatic theorem for chemical reactions and systems with time-dependent orthogonalization  

CERN Document Server

A general quantum adiabatic theorem with and without the time-dependent orthogonalization is proven, which can be applied to understand the origin of activation energies in chemical reactions. Further proofs are also developed for the oscillating Schwinger Hamiltonian to establish the relationship between the internal (due to time-dependent eigenfunctions) and external (due to time-dependent Hamiltonian) time scales. We prove that this relationship needs to be taken as an independent quantum adiabatic approximation criterion. We give four examples, including logical expositions based on the spin-1/2 two-level system to address the gapped and gapless (due to energy level crossings) systems, as well as to understand how does this theorem allows one to study dynamical systems such as chemical reactions.

2011-01-01

46

Percolation, renormalization, and quantum computing with non-deterministic gates  

Energy Technology Data Exchange (ETDEWEB)

We apply a notion of static renormalization to the preparation of cluster states for quantum computing, exploiting ideas from percolation theory. Such a strategy yields a novel way to cope with the randomness of non-deterministic quantum gates. This is most relevant in the context of linear optical architectures, where probabilistic gates are inevitable. We demonstrate how to efficiently construct cluster states without the need for rerouting, thereby avoiding a massive amount of feed-forward and conditional dynamics, and furthermore show that except for a single layer of fusion measurements during the preparation, all further measurements can be shifted to the final adapted single qubit measurements. Remarkably, the cluster state preparation is achieved using essentially the same scaling in resources as if deterministic gates were available. Further, techniques to reduce the size of the required resource states will be ...

2007-07-01

47

Field theory description of neutrino oscillations  

CERN Document Server

We review various field theory approaches to the description of neutrino oscillations in vacuum and external fields. First we discuss a relativistic quantum mechanics based approach which involves the temporal evolution of massive neutrinos. To describe the dynamics of the neutrinos system we use exact solutions of wave equations in presence of an external field. It allows one to exactly take into account both the characteristics of neutrinos and the properties of an external field. In particular, we examine flavor oscillations an vacuum and in background matter as well as spin flavor oscillations in matter under the influence of an external electromagnetic field. Moreover we consider the situation of hypothetical nonstandard neutrino interactions with background fermions. In the case of ultrarelativistic particles we reproduce an effective Hamiltonian which is used in the standard quantum mechanical approach for the ...

2010-01-01

48

Quantum corrections to the Larmor radiation formula in scalar electrodynamics  

CERN Document Server

We use the semi-classical approximation in perturbative scalar quantum electrodynamics to calculate the quantum correction to the Larmor radiation formula to first order in Planck's constant in the non-relativistic approximation, choosing the initial state of the charged particle to be a momentum eigenstate. We calculate this correction in two cases: in the first case the charged particle is accelerated by a time-dependent but space-independent vector potential whereas in the second case it is accelerated by a time-independent vector potential which is a function of one spatial coordinate. We find that the corrections in these two cases are different even for a charged particle with the same classical motion. The correction in each case turns out to be non-local in time in contrast to the classical approximation.

2009-01-01

49

Neutrinos and long-range weak forces in cosmology  

International Nuclear Information System (INIS)

The Lorentz and coordinate covariant calculus of spinors in Riemannian spacetime, which is the mathematical model for the description of the quantum mechanics of elementary particles with spin interacting with the classical gravitation field, is explored. The Dirac equation describing the interaction of neutrinos with the gravitational fields of the Robertson-Walker cosmological world models is separated, and the spectrum of eigenfunctions and eigenvalues for particular choices of the set of quantum numbers is given explicitly for the k = 0 and k = +1 models, although only the radial equations determining the final quantum number are given for the k = -1 model. The mathematical theory of the motion of a perfect fluid whose elements interact via long-range neutrino-exchange forces, as well as gravitationally, is developed. The formalism for calculating, by calculating the Bogoliubov ...

51

Phenomenological dynamics of loop quantum cosmology in Kantowski-Sachs spacetime  

CERN Document Server

The full theory and the semiclassical description of loop quantum cosmology (LQC) have been studied in the Friedmann-Robertson-Walker and Bianchi I models. As an extension to include both anisotropy and intrinsic curvature, this paper investigates the cosmological model of Kantowski-Sachs spacetime with a free massless scalar field at the level of phenomenological dynamics with the LQC discreteness corrections. The LQC corrections are implemented in two different improved quantization schemes. In both schemes, the big bang and big crunch singularities of the classical solution are resolved and replaced by the big bounces when the area or volume scale factor approaches the critical values in the Planck regime measured by the reference of the scalar field momentum. Symmetries of scaling are also noted and suggest that the fundamental spatial scale (area gap) may give rise to a temporal scale. The bouncing scenarios are in an analogous fashion of ...

2008-01-01

52

Decoherence, entanglement decay, and equilibration produced by chaotic environments  

CERN Document Server

We investigate decoherence in quantum systems coupled via dephasing-type interactions to an arbitrary environment with chaotic underlying classical dynamics. The coherences of the reduced state of the central system written in the preferential energy eigenbasis are quantum Loschmidt echoes, which in the strong coupling regime are characterized at long times scales by fluctuations around a constant mean value. We show that due to the chaotic dynamics of the environment, the mean value and the width of the Loschmidt echo fluctuations are inversely proportional to the quantity we define as the effective Hilbert space dimension of the environment, which in general is smaller than the dimension of the entire available Hilbert space. Nevertheless, in the semiclassical regime this effective Hilbert space dimension is in general large, in which case even a chaotic environment with few degrees of freedom ...

2011-01-01

53

Cluster approach to quantum-chemical calculations of chemisorption and heterogeneous catalytic systems  

Energy Technology Data Exchange (ETDEWEB)

The increasing use of quantum-chemical methods in catalysis has underscored the importance of developing and improving semiempirical approximations oriented toward calculations of the total energy and geometry, offering a means for examining intermolecular interactions. In this article a general approach is proposed, using weighting factors for certain regions of distances, i.e., introducing different parametrization into the various regions. A scheme designated MINDO/3-HB is presented as an extension of the MINDO/3 scheme to the region of hydrogen bonds and ..pi..-complexes of olefins with Broensted acid centers (BACs). Examples of cluster calculations are given for the adsorption of ammonia, pyridine, ethylene, and ethanol on the BACs of zeolites. In the example of the process of zeolite synthesis, the possibilities of the cluster approach are discussed for calculations related to the formation of ...

1987-07-01

54

Magnetic resonance imaging and computational fluid dynamics (CFD) simulations of rabbit nasal airflows for the development of hybrid CFD/PBPK models  

UK PubMed Central (United Kingdom)

The percentages of total airflows over the nasal respiratory and olfactory epithelium of female rabbits were calculated from computational fluid dynamics (CFD) simulations of steady-state inhalation....Full Text Available

2009-05-01

55

Ultrafast fluorescence dynamics of Sybr Green I/DNA complexes  

British Library Electronic Table of Contents (United Kingdom)

The ultrafast dynamics of the DNA fluorescent dye Sybr Green I (SG) has been studied in buffer, single-stranded (ssDNA), double-stranded (dsDNA) and triple-stranded DNA (tsDNA). The fluorescence quantum yield of SG increases dramatically when bound to DNA (including tsDNA). The fluorescence dynamics of the free SG has shown two decay components with 0.15-0.4ps and 1.3-2.1ps time constants, depending on the fluorescence wavelength. Upon binding to DNA, the dynamics becomes slower exhibiting four decay components. This is mainly due to the restriction of the internal motions of the dye caused by the relatively rigid environment of the dye complexed with DNA.

2010-01-01

56

Basis states for relativistic dynamically entangled particles  

Science.gov (United States)

In several recent papers on entanglement in relativistic quantum systems and relativistic Bell's inequalities, relativistic Bell-type two-particle states have been constructed in analogy to nonrelativistic states. These constructions do not have the form suggested by relativistic invariance of the dynamics. Two relativistic formulations of Bell-type states are shown for massive particles, one using the standard Wigner spin basis and one using the helicity basis. The construction hinges on the use of Clebsch-Gordan coefficients of the Poincare group to reduce the direct product of two unitary irreducible representations (UIRs) into a direct sum of UIRs.

2005-02-01

57

Perturbative Quantum Gravity and Yang-Mills Theories in de Sitter Spacetime  

CERN Document Server

This thesis consists of three parts. In the first part we review the quantization of Yang-Mills theories and perturbative quantum gravity in curved spacetime. In the second part we calculate the Feynman propagators of the Faddeev-Popov ghosts for Yang-Mills theories and perturbative quantum gravity in the covariant gauge. In the third part we investigate the physical equivalence of covariant Wightman graviton two-point function with the physical graviton two-point function. The Feynman propagators of the Faddeev-Popov ghosts for Yang-Mills theories and perturbative quantum gravity in the covariant gauge are infrared (IR) divergent in de Sitter spacetime. We point out, that if we regularize these divergences by introducing a finite mass and take the zero mass limit at the end, then the modes responsible for these divergences will not contribute to loop diagrams in computations of time-ordered products in ...

2011-01-01

58

Quantum computing  

UK PubMed Central (United Kingdom)

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...Full Text Available

2001-10-09

59

A symbolic computing environment for doing calculations in quantum field theory  

Energy Technology Data Exchange (ETDEWEB)

A computational environment, as a set of MapleV R.3 routines for doing symbolic calculations in Quantum Field Theory, is presented. The Q F T package`s routines extend the standard MapleV computational domain by introducing representations for anti commutative and noncommutative objects, tensors, spinors and gauge fields, as well as related objects and procedures (Dirac matrices, differential operators, functional differentiation w.r.t indexed fields, sum rule for repeated indices, etc.). Furthermore, the Q F T routines permit the user-definition of algebra rules for the commutation/ anti commutation of operators, to be taken into account during the calculations. (author) 2 refs.

1997-12-31

60

Precise calculation of transition frequencies of hydrogen and deuterium based on a least-squares analysis  

CERN Document Server

We combine a limited number of accurately measured transition frequencies in hydrogen and deuterium, recent quantum electrodynamics (QED) calculations, and, as an essential additional ingredient, a generalized least-squares analysis, to obtain precise and optimal predictions for hydrogen and deuterium transition frequencies. Some of the predicted transition frequencies have relative uncertainties more than an order of magnitude smaller than that of the g-factor of the electron, which was previously the most accurate prediction of QED.

2005-01-01

61

Feynman integrals and difference equations  

Energy Technology Data Exchange (ETDEWEB)

We report on the calculation of multi-loop Feynman integrals for single-scale problems by means of difference equations in Mellin space. The solution to these difference equations in terms of harmonic sums can be constructed algorithmically over difference fields, the so-called {pi}{sigma}{sup *}-fields. We test the implementation of the Mathematica package Sigma on examples from recent higher order perturbative calculations in Quantum Chromodynamics. (orig.)

2007-09-15

62

Comparison of EH with SW-Xsub(alpha) calculations  

International Nuclear Information System (INIS)

The electronic structure of octahedral metal atom clusters Me_6 of 3d, 4d, and 5d transition metal atoms (V, Cr; Nb, Mo; Ta, W) has been calculated applying two different quantum-chemical approximation methods (Extended Hueckel (EH) method; SW-Xsub(alpha) method). Equilibrium structures, energy level schemes, Fermi energies and band widths as well as densities of states of clusters are discussed in detail.

1981-01-01

63

Spin qubits in antidot lattices  

DEFF Research Database (Denmark)

We suggest and study designed defects in an otherwise periodic potential modulation of a two-dimensional electron gas as an alternative approach to electron spin based quantum information processing in the solid-state using conventional gate-defined quantum dots. We calculate the band structure and density of states for a periodic potential modulation, referred to as an antidot lattice, and find that localized states appear, when designed defects are introduced in the lattice. Such defect states may form the building blocks for quantum computing in a large antidot lattice, allowing for coherent electron transport between distant defect states in the lattice, and for a tunnel coupling of neighboring defect states with corresponding electrostatically controllable exchange coupling between different electron spins.

2008-01-01

64

On virtual phonons, photons and electrons  

CERN Document Server

A macroscopic realization of the strange virtual particles is presented. The classical Helmholtz and the quantum mechanical Schr\\"odinger equations are analogous differential equations. Their imaginary solutions are called evanescent modes in the case of elastic and electromagnetic fields. In the case of non-relativistic quantum mechanical fields they are called tunneling solutions. The imaginary solutions of this differential equation point to strange consequences: They are non local, they are not observable, and they described as virtual particles. During the last two decades QED calculations of the imaginary solutions have been experimentally confirmed for phonons, photons, and for electrons. The experimental proofs of the predictions of the non-relativistic quantum mechanics and of the Wigner phase time approach for the elastic, the electromagnetic and the Schr\\"odinger fields will be presented in ...

2009-01-01

65

Determination of band offsets and subband levels for a GaInP/AlGaInP quantum well by photoreflectance using a InGaP laser diode  

International Nuclear Information System (INIS)

The band offsets and subband levels in a double quantum well layer for a 660 nm-Ga_0_._4In_0_._6P/(Al_0_._5Ga_0_._5)_0_._5In_0_._5P quantum well laser are determined by photoreflectance using a 410 nm InGaN laser with current modulation at room temperature. The subband levels are analyzed by numerical calculation of the Schroedinger equation for the layer structure by varying the conduction band offset and compared with the measured photoreflectance spectra. The conduction band offset ratio is determined to be 0.5+0.03. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

2009-06-01

66

Atomic density functions: atomic physics calculations analyzed with methods from quantum chemistry  

CERN Document Server

This contribution reviews a selection of findings on atomic density functions and discusses ways for reading chemical information from them. First an expression for the density function for atoms in the multi-configuration Hartree--Fock scheme is established. The spherical harmonic content of the density function and ways to restore the spherical symmetry in a general open-shell case are treated. The evaluation of the density function is illustrated in a few examples. In the second part of the paper, atomic density functions are analyzed using quantum similarity measures. The comparison of atomic density functions is shown to be useful to obtain physical and chemical information. Finally, concepts from information theory are introduced and adopted for the comparison of density functions. In particular, based on the Kullback--Leibler form, a functional is constructed that reveals the periodicity in Mendeleev's table. Finally a quantum similarity ...

2011-01-01

67

AlxGa1-xN/GaN multi-quantum-well ultraviolet detector based on p-i-n heterostructures  

British Library Electronic Table of Contents (United Kingdom)

We report on characterization of a set of AlGaN/GaN multiple-quantum-well (MQW) photodetectors. The model structure used in the calculation is the p-i-n heterojunction with 20 AlGaN/GaN MQW structures in i-region. The MQW structures have 2nm GaN quantum well width and 15nm AlxGa1-xN barrier width. The cutoff wavelength of the MQW photodetectors can be tuned by adjusting the well width and barrier height. Including the polarization field effects, on increasing Al mole fraction, the transition energy decreases, the total noise increases, and the responsivity has a red shift, and so the detectivity decreases and has a red shift.

2009-01-01

68

Separation of variables for the quantum SL(2,R) spin chain  

CERN Document Server

We construct representation of the Separated Variables (SoV) for the quantum SL(2,R) Heisenberg closed spin chain and obtain the integral representation for the eigenfunctions of the model. We calculate explicitly the Sklyanin measure defining the scalar product in the SoV representation and demonstrate that the language of Feynman diagrams is extremely useful in establishing various properties of the model. The kernel of the unitary transformation to the SoV representation is described by the same "pyramid diagram" as appeared before in the SoV representation for the SL(2,C) spin magnet. We argue that this kernel is given by the product of the Baxter Q-operators projected onto a special reference state.

2003-01-01

69

Anisotropic optical absorption in quantum well wires induced by high-frequency laser fields  

British Library Electronic Table of Contents (United Kingdom)

The subband structure and optical properties of a cylindrical quantum well wire under intense non-resonant laser field are investigated by taking into account the correct dressing effect for the confinement potential. The energy levels and wave functions are calculated within the effective mass- approximation using a finite element method. It is found that the absorption coefficient and the saturation intensity are strongly affected by the laser amplitude and frequency as well as by the incident light polarization. As a key result, a large anisotropy in the linear and nonlinear optical absorptions for very intense laser field is predicted. These effects can be useful for the design of polarization sensitive devices.

2011-01-01

70

Report of the Fluid Dynamics Panel Working Group 10 on calculation of 3D separate turbulent flows in boundary layer limit  

Science.gov (United States)

The results of a study conducted by Working Group 10 of the AGARD Fluid Dynamics Panel to investigate the limits of boundary layer methods, both the integral and field type formulations, for calculating three-dimensional turbulent separated flow are presented. Test cases used to assess the boundary layer calculations included the DFLVR prolate spheroid at angle of attack and the NASA-Ames Wing C. Comparisons between boundary layer calculations and experimental data are presented for these test cases along with observations, conclusions, and recommendations.

1990-05-01

71

Dynamic behavior of a solar-heated receiver of a gas turbine plant  

Energy Technology Data Exchange (ETDEWEB)

The mainly nonstationary operation of a solar-heated receiver can be simulated with sufficient accuracy only if data about the dynamic behavior are available. For this reason, the dynamic behavior of a solar cavity receiver with parabolic dish collector is investigated. The development of a mathematical simulation considering heat transfer and storage processes is presented and the procedure for a numerical solution is illustrated. The performance of the calculation method is finally demonstrated by simulating the passage of a cloud.

1987-01-01

72

Dynamic behavior of a solar heated receiver of a gas turbine plant  

Energy Technology Data Exchange (ETDEWEB)

The mainly instationary operation of a solar heated receiver can be simulated with sufficient accuracy only if data about the dynamic behavior are available. For this reason, the dynamic behavior of a solar cavity receiver with parabolic dish collector is investigated. The development of a mathematical simulation considering heat transfer and storage processes is presented and the procedure for a numerical solution is illustrated. The performance of the calculation method is finally demonstrated by simulating the passage of a cloud.

1986-01-01

73

Fermionic molecular dynamics for ground states and collisions of nuclei  

International Nuclear Information System (INIS)

The antisymmetric many-body trial state which describes a system of interacting fermions is parametrized in terms of localized wave packets. The equations of motion are derived from the time-dependent quantum variational principle. The resulting fermionic molecular dynamics (FMD) equations include a wide range of semi-quantal to classical physics extending from deformed Hartree-Fock theory to newtonian molecular dynamics. Conservation laws are discussed in connection with the choice of the trial state. The model is applied to heavy-ion collisions with which its basic features are illustrated. The results show a great variety of phenomena including deeply inelastic collisions, fusion, incomplete fusion, fragmentation, neck emission, promptly emitted nucleons and evaporation. ((orig.)).

74

Ab initio molecular dynamics with born-oppenheimer and extended lagrangian methods using atom centered basis functions  

Energy Technology Data Exchange (ETDEWEB)

In ab initio molecular dynamics, whenever information about the potential energy surface is needed for integrating the equations of motion, it is computed 'on the fly' using electronic structure calculations. For Born-Oppenheimer methods, the electronic structure calculations are converged, whereas in the extended Lagrangian approach the electronic structure is propagated along with the nuclei. Some recent advances for both approaches are discussed.

2003-06-01

75

Closed string tachyons, AdS/CFT, and large N QCD  

Energy Technology Data Exchange (ETDEWEB)

We find that tachyonic orbifold examples of AdS/CFT have corresponding instabilities at small radius, and can decay to more generic gauge theories. We do this by computing a destabilizing Coleman-Weinberg effective potential for twisted operators of the corresponding quiver gauge theories, generalizing calculations of Tseytlin and Zarembo, and interpreting them in terms of the large-N behavior of twisted-sector modes. The dynamically generated potential involves double-trace operators, which affect large-N correlators involving twisted fields but not those involving only untwisted fields, in line with large-N inheritance arguments. We point out a simple reason that no such small radius instability exists in gauge theories arising from freely acting orbifolds, which are tachyon free at large radius. When an instability is present, twisted gauge theory operators with the quantum numbers of the large-radius tachyons aquire ...

2001-10-15

76

Closed String Tachyons, AdS/CFT, and QCD  

Energy Technology Data Exchange (ETDEWEB)

We find that tachyonic orbifold examples of AdS/CFT have corresponding instabilities at small radius, and can decay to more generic gauge theories. We do this by computing a destabilizing Coleman-Weinberg effective potential for twisted operators of the corresponding quiver gauge theories, generalizing calculations of Tseytlin and Zarembo and interpreting them in terms of the large-N behavior of twisted-sector modes. The dynamically generated potential involves double-trace operators, which affect large-N correlators involving twisted fields but not those involving only untwisted fields, in line with large-N inheritance arguments. We point out a simple reason that no such small radius instability exists in gauge theories arising from freely acting orbifolds, which are tachyon-free at large radius. When an instability is present, twisted gauge theory operators with the quantum numbers of the large-radius tachyons acquire ...

2001-07-25

77

Calculation of the contributions from high-n dielectronic satellites to the K{alpha} resonance line in helium-like iron  

Energy Technology Data Exchange (ETDEWEB)

A simplified relativistic configuration interaction method is used to study the dielectronic satellite transition processes. In this method, the infinite resonant doubly excited states can be calculated, and furthermore, the whole high-n dielectronic satellite transition processes can be treated conveniently by interpolation (rather than extrapolation) in the frame of quantum defect theory. As an example, we calculate the contributions from high-n dielectronic satellites to the K{alpha} resonance line in helium-like iron, and the results are in good agreement with the experimental measurements. (orig.) 39 refs.

1999-02-01

78

Non-Markovian dephasing in solid-state single photon sources  

CERN Document Server

Solid-state single-photon sources have many desirable features that make them attractive for applications in quantum information processing. However, the phase coherence of such devices can be severely compromised by coupling to the solid-state environment. Here, we study the effects of realistic dephasing environments on a pair of solid-state single photon sources in the context of quantum interference effects such as the Hong-Ou-Mandel dip. By means of exact solutions for the non-Markovian dynamics of the sources, we show that the resulting loss of visibility depends crucially on the timing of photon detection events. Our results demonstrate that the effective visibility can be improved via temporal post-selection, and also that time-resolved interference can be a useful probe of the interaction between the emitter and its host environment.

2008-01-01

79

Dimensional Reductions for the Computation of Time-Dependent Quantum Expectations  

CERN Document Server

We consider dimensional reduction techniques for the Liouville-von Neumann equation for the evaluation of the expectation values in a mixed quantum system. In applications such as nuclear spin dynamics the main goal for simulations is being able to simulate a system with as many spins as possible, for this reason it is very important to have an efficient method that scales well with respect to particle numbers. We describe several existing methods that have appeared in the literature, pointing out their limitations particularly in the setting of large systems. We introduce a method for direct computation of expectations via Chebyshev polynomials (DEC) based on evaluation of a trace formula combined with expansion in modified Chebyshev polynomials. This reduction is highly efficient and does not destroy any information. We demonstrate the practical application of the scheme for a nuclear spin system and compare with several alternatives, ...

2010-01-01

80

Spectroscopy and photophysics of mono methyl-substituted alloxazines  

Energy Technology Data Exchange (ETDEWEB)

Singlet-singlet and triplet-triplet absorption spectra of a series of methyl-alloxazines were calculated using the time-dependent density-functional theory approach and compared to experimental results. The B3LYP functional provides good correlation between experimental and theoretical results, given that solvent effects are disregarded in the present calculations. Substituent and solvent dependences of the lowest, closely spaced, n,{pi}* and {pi},{pi}* excited state energies are discussed, their order being of consequence in determining the non-radiative decay rates and thus emission quantum yields and lifetimes. The high quantum yields of singlet oxygen formation indicate that the triplet state is formed by efficient intersystem crossing from the first singlet excited state.

2004-05-31

81

Calculation of the X-ray emission spectra of VC and VN  

International Nuclear Information System (INIS)

From self-consistent band structure calculations using the 'augmented plane wave'(APW) method, the density of states can be decomposed into local partial (according to azimuthal quantum number l) components, the l-character densities. Within the APW formalism the intensity of X-ray emission spectra is determined by radial transition probabilities and l-character densities of such valence states, which reside inside the same atomic sphere as the core vacancy and whose quantum number l differs by +-1 from the one corresponding to the core state. By taking into account lifetime broadening of the core and valence states and also the instrumental broadening the computed spectra (non-metal K-, vanadium K- and Lsub(III)-spectra) agree well with experiment. (orig.).

82

Synthesis, luminescence quantum yields, and lifetimes of trischelated ruthenium(II) mixed-ligand complexes including 3,3'-dimethy1-2,2'-bipyridyl  

International Nuclear Information System (INIS)

New five complexes of the type of [RuL sub(3-x)(dmby) sub(x)]X sub(2)(x = 1,2,3, L = 2,2'-bipyridyl or 1,10-phenanthroline, dmby = 3,3'-dimethy1-2,2'-bipyridyl, X = halide ion) have been synthesized in order to investigate the effects of two methyl groups of dmby on the absorption and emission spectra, luminescence quantum yields, and lifetimes. Values of the radiative and nonradiative rate constants have been calculated from these data at 77K. Although the absorption and emission maxima and the lifetimes are not much affected by the dmby ligand substitution, the molar extinction coefficients and emission quantum yields are decreased compared with trischelated complexes of the parent bipyridyl or phenanthroline ligands. At 25"0C the emission yields of the complexes containing dmby decrease by 3 - 4 orders of magnitude than at 77K. Possible causes of the decrease in the quantum yields are discussed. ...

1982-01-01

83

Quantum entanglement, recoherence and information flow in an accelerated detector - quantum field system: Implications for black hole information issue  

CERN Document Server

We study an exactly solvable model where an uniformly accelerated detector is linearly coupled to a massless scalar field initially in the Minkowski vacuum. Using the exact correlation functions we show that as soon as the coupling is switched on one can see information flowing from the detector to the field and propagating with the radiation into null infinity. By expressing the reduced density matrix of the detector in terms of the two-point functions, we calculate the purity function in the detector and study the evolution of quantum entanglement between the detector and the field. Only in the ultraweak coupling regime could some degree of recoherence in the detector appear at late times, but never in full restoration, as an earlier work seems to suggest. We explicitly show that under the most general conditions the detector never recovers its quantum coherence and the entanglement between the detector and the field ...

2007-01-01

84

Dynamics of multidimensional generalization of Bianchi type-IX cosmological models  

Energy Technology Data Exchange (ETDEWEB)

We investigate the dynamics of an 11-dimensional homogeneous cosmological model. We assume that the t = const hypersurfaces are products of a 3-dimensional Bianchi type-IX space and a 7-dimensional torus. Most results of our investigation hold when the 7-dimensional torus is replaced by an m-dimensional torus T/sup m/. We show that for a large class of vacuum solutions the physical space expands while the microspace contracts providing a natural mechanism of dimensional reduction. Matter satisfying a simple barotropic equation of state always breaks the process of dynamical dimensional reduction. With special attention we study the behavior of our model close to the initial singularity. In contrast with the 4-dimensional Bianchi type-IX cosmological model the Kasner solution always describes an approach to the initial singularity. We study the transition from the Kasner regime to the oscillatory regime. We show that matter does not ...

1987-11-15

85

Dynamics of multidimensional generalization of Bianchi type-IX cosmological models  

International Nuclear Information System (INIS)

We investigate the dynamics of an 11-dimensional homogeneous cosmological model. We assume that the t = const hypersurfaces are products of a 3-dimensional Bianchi type-IX space and a 7-dimensional torus. Most results of our investigation hold when the 7-dimensional torus is replaced by an m-dimensional torus T/sup m/. We show that for a large class of vacuum solutions the physical space expands while the microspace contracts providing a natural mechanism of dimensional reduction. Matter satisfying a simple barotropic equation of state always breaks the process of dynamical dimensional reduction. With special attention we study the behavior of our model close to the initial singularity. In contrast with the 4-dimensional Bianchi type-IX cosmological model the Kasner solution always describes an approach to the initial singularity. We study the transition from the Kasner regime to the oscillatory regime. We show that matter does not ...

86

Ultrafast carrier dynamics of InGaAsN and InGaAs single quantum wells  

International Nuclear Information System (INIS)

Striking differences in differential reflectance and carrier relaxation in In0.4Ga0.6As and In0.4Ga0.6As0.98N0.02 single quantum wells (SQWs) were studied using ultrafast time-resolved photoreflectance. Even with extremely thin SQW of only 60 A within 3000 A wide GaAs confining layers, negative and positive differential reflectance was observed for the excitation photon energy far above the bandgaps at 820 and 880 nm for both samples. Due to absorption by the GaAs confining layer, the peak differential reflectance pumped at 820 nm is an order of magnitude larger than that pumped at 880 nm; and it is larger for InGaAs SQWs than for InGaAsN SQWs. The shorter carrier lifetimes of these samples result from carrier-carrier scattering as pumped at both wavelengths. The longer carrier lifetime as pumped at 880 nm is due to hot phonon decay in InGaAs but may be due to stimulated emission in InGaAsN. The results reveal that the carrier dynamics is ...

2008-04-21

87

Spontaneous radiation decay of weakly bound system in externa field  

International Nuclear Information System (INIS)

A new channel of nonlinear ionization of quantum system in a strong laser field is discussed. The probability of spontaneous radiation decay from the ground state in a short-range potential to the final Volkov wave function, is calculated by the first order of the perturbation theory. It is shown that this process at high intensities of the laser field will be comparable with the high harmonic generation. (orig.)

2001-02-01

88

Duality picture between antiferromagnetism and d-wave superconductivity in t-J model at two dimensions  

Energy Technology Data Exchange (ETDEWEB)

The author shows in this paper an interesting relation between elementary and topological excitations in the antiferromagnetic and d-wave superconducting phases of the t-J model at two dimensions. The topological spin and charge excitations in one phase have the same dynamics as elementary excitations in the other phase, except the appearance of energy gaps. Moreover, the transition from one phase to another can be described as a quantum disordering transition associated with the topological excitations. Based on the above picture, a plausible phase diagram of t-J model is constructed.

2000-02-10

89

Ultrafast resonance energy transfer in bio-molecular systems  

British Library Electronic Table of Contents (United Kingdom)

In this article, we present our consistent efforts to explore the dynamical pathways of the migration of electronic radiation by using ultrafast (picosecond/femtosecond time scales) F?rster resonance energy transfer (FRET) technique. The ultrafast non-radiative energy migration from an intrinsic donor fluorophore (Tryptophan, Trp214) present in domain IIA of a transporter protein human serum albumin (HSA) to various non-covalently/covalently attached organic/inorganic chromophores including photoporphyrin IX (PPIX), polyoxovanadate [V15As6O42(H2O)]-6 clusters (denoted as V15) and CdS quantum dots (QDs) has been explored. We have also used other covalently/non-covalently attached extrinsic fluorogenic donors (NPA, ANS) in order to exploit the dynamics of resonance energy migration of an enz...

2010-01-01

90

Interplay between coherence and decoherence in LHCII photosynthetic complex  

CERN Document Server

This paper investigates the dynamics of excitonic transport in photocomplex LHCII, the primary component of the photosynthetic apparatus in green plants. The dynamics exhibits a strong interplay between coherent processes mediated by the excitonic Hamiltonian, and incoherent processes due to interactions with the environment. The spreading of the exciton over a single monomer is well described by a proper measure of delocalization that allows one to identify two relevant time scales. An exciton initially localized in one chromophore first spreads coherently to neighboring chromophores. During this initial coherent spreading, quantum effects such as entanglement play a role. As the effects of a decohering environment come into play, coherence and decoherence interact to give rise to efficient and robust excitonic transport, reaching a maximum efficiency at the levels of decoherence found in physiological conditions. We ...

2011-01-01

91

A unified framework for biological evolution and stochastic quantization  

CERN Document Server

We investigate the profound relation between the equations of biological evolution and quantum mechanics by writing a biologically inspired equation for the stochastic dynamics of an ensemble of particles. Interesting behavior is observed which is related to a new type of stochastic quantization. We find that the probability distribution of the ensemble of particles can be decomposed into eigenfunctions associated to a discrete spectrum of eigenvalues. In absence of interactions between the particles, the out-of-equilibrium dynamics asymptotically relaxes towards the fundamental state. This phenomenon can be related with the Fisher theorem in biology. On the contrary, in presence of scattering processes the evolution reaches a steady state in which the distribution of the ensemble of particles is characterized by a Bose-Einstein statistics. In order to show a concrete example of this stochastic quantization we have solved ...

2010-01-01

92

Unconstrained energy functionals for electronic structure calculations  

Energy Technology Data Exchange (ETDEWEB)

The performance of conjugate gradient schemes for minimizing unconstrained energy functionals in the context of electronic structure calculations is studied. The unconstrained functionals allow a straightforward application of conjugate gradients by removing the explicit orthonormality constraints on the quantum-mechanical wave functions. However, the removal of the constraints can lead to slow convergence, in particular when preconditioning is used. The convergence properties of two previously suggested energy functionals are analyzed, and a new functional is proposed, which unifies some of the advantages of the other functionals. A numerical example confirms the analysis.

1998-04-01

93

Comparison of EH with SW-Xsub(alpha) calculations. Electronic structure of 3d, 4d, and 5d metal atom clusters  

Energy Technology Data Exchange (ETDEWEB)

The electronic structure of octahedral metal atom clusters Me/sub 6/ of 3d, 4d, and 5d transition metal atoms (V, Cr; Nb, Mo; Ta, W) has been calculated applying two different quantum-chemical approximation methods (Extended Hueckel (EH) method; SW-Xsub(alpha) method). Equilibrium structures, energy level schemes, Fermi energies and band widths as well as densities of states of clusters are discussed in detail.

1981-01-01

94

Decoherence, chaos, quantum-classical correspondence and the arrow of time  

Energy Technology Data Exchange (ETDEWEB)

The environment - external or internal degrees of freedom coupled to the object of interest - can, in effect, monitor some of its observables. As a result, the eigenstates of these observables decohere and behave like classical states. Continuous destruction of superpositions leads to the effective environment-induced superselection (einselection), which is beginning to be recognized as a key step in the transition from quantum to classical. We investigate it here in the context of quantum chaos. I show that the evolution of a chaotic macroscopic system is not just difficult to predict (requiring accuracy exponentially increasing with time) but quickly ceases to be deterministic in principle as a result of the Heisenberg uncertainty (which limits the available resolution). This happens after a time t{sub {Dirac_h}} which is only logarithmic in the Planck constant. For example, various components of the solar system are chaotic, with the ...

1998-12-01

95

Semi-empirical calculation of air-broadened half-widths and air pressure-induced frequency shifts of water-vapor absorption lines  

International Nuclear Information System (INIS)

This paper describes a semi-empirical calculation of the air-broadened half-widths and the air pressure-induced frequency shifts for the H_2"1"6O isotopologue. This semi-empirical calculation is based on fits of several recent high-quality measurements and theoretical calculations to the first-order terms in the expansion of the complex Robert-Bonamy (CRB) equations, which yields a second- and first-order polynomial function of the differences in the upper- and lower-state vibrational quantum numbers for the half-width and line shift, respectively. The aim of this work was to obtain a complete set of air-broadened half-widths and air pressure-induced frequency shifts for transitions of H_2"1"6O present in the HITRAN database from microwave to the visible in order to supplement the observed and calculated values. For around 700 sets of rotational quantum numbers ...

2005-12-01

96

In-vivo coronary flow profiling based on biplane angiograms: influence of geometric simplifications on the three-dimensional reconstruction and wall shear stress calculation  

UK PubMed Central (United Kingdom)

BackgroundClinical studies suggest that local wall shear stress (WSS) patterns modulate the site and the progression of atherosclerotic lesions. Computational fluid dynamics (CFD)...Full Text Available

97

QCCM - Center for NMR Quantum Information Processing  

Science.gov (United States)

... decoherence. Descriptors : *QUANTUM COMPUTING, NUCLEAR MAGNETIC RESONANCE, JOSEPHSON JUNCTIONS. Subject ...

2011-02-16

98

Theory of NMR multiple echoes in solid hydrogen  

Energy Technology Data Exchange (ETDEWEB)

We have examined the theory of NMR multiple echoes developed for solid {sup 3}He to determine whether multiple echoes could be observed in solid hydrogen. We were particularly interested in the possibility of testing for low frequency quantum tunneling motions in solid hydrogen by the observation of multiple echoes. We find that for easily accessible nuclear spin polarizations, P > 12%, multiple echoes would be observed for HD impurities in solid parahydrogen if motional narrowing is effective in increasing the HD nuclear spin-spin relaxation time T{sub 2} to the order of 1 msec. These values for T{sub 2}, which have been observed for HD impurity concentrations of the order of 1%, are larger than the calculated rigid lattice values and can be attributed to quantum tunneling at frequencies of the order of 1kHz.

1995-11-01

99

Spontaneous excitation of an accelerated atom in a spacetime with a reflecting plane boundary  

Science.gov (United States)

We study a two-level atom in interaction with a real massless scalar quantum field in a spacetime with a reflecting boundary. The presence of the boundary modifies the quantum fluctuations of the scalar field, which in turn modifies the radiative properties of atoms. We calculate the rate of change of the mean atomic energy of the atom for both inertial motion and uniform acceleration. It is found that the modifications induced by the presence of a boundary make the spontaneous radiation rate of an excited inertial atom oscillate near the boundary and this oscillatory behavior may offer a possible opportunity for experimental tests for geometrical (boundary) effects in flat spacetime. While for accelerated atoms, the transitions from ground states to excited states are found to be possible even in a vacuum due to changes in the vacuum fluctuations induced by both the presence of the boundary and the acceleration of atoms, ...

2005-09-15

100

Performance improvement of quantum dot infrared photodetectors through modeling  

British Library Electronic Table of Contents (United Kingdom)

This paper presents a method to evaluate and improve the performance of quantum dot infrared photodetectors (QDIPs). We proposed a device model for QDIPs. The developed model accounts for the self-consistent potential distribution, features of the electron capture and transport in realistic QDIPs in dark and illumination conditions. This model taking the effect of donor charges on the spatial distribution of the electric potential in the QDIP active region. The model is used for the calculation of the dark current, photocurrent and detectivity as a function of the structural parameters such as applied voltage, doping QD density, QD layers, and temperature. It explains strong sensitivity of dark current to the density of QDs and the doping level of the active region. In order to confirm our...

2010-01-01

101

Dependence of impurity binding energy on nitrogen and indium concentrations for shallow donors in a GaInNAs/GaAs quantum well under intense laser field  

British Library Electronic Table of Contents (United Kingdom)

Within the framework of the effective-mass approximation, using a variational method, we have calculated the effect of intense laser radiation on the binding energy of the shallow-donor impurities in a Ga1- x In x N y As1- y /GaAs single quantum well for different nitrogen and indium mole concentrations. Our numerical results show that the binding energy strongly depends on the laser intensity and frequency (via the laser dressing parameter) and it also depends on the nitrogen and indium concentrations. Impurity binding energy under intense laser fields can be tuned by changing the nitrogen and indium mole fraction.

2011-01-01

102

Conjugate variables in quantum field theory: the basic case  

CERN Document Server

Within standard quantum field theory of one scalar field we define operators conjugate to the energy-momentum operators of the theory. They are singled out by calculational simplicity in Fock space. In terms of the underlying scalar field they are non-local. We establish their algebra where it turns out that time and space operators do not commute. Their transformation properties with respect to the conformal group are derived. Solving their eigenvalue problem permits to reconstruct the Fock space in terms of the eigenstates. It is indicated how Paulis theorem may be circumvented. As an application we form the analogue of S-matrices which yields information on the structure of the underlying spacetime. Similarly we define fields and look at their equations of motion.

2010-01-01

103

Thermo-hydraulic design of Chinese helium cooled solid breeder blanket for ITER-TBM  

International Nuclear Information System (INIS)

To further optimize thermo-hydraulic capability of HCSB-TBM, two different thermo-hydraulic schemes would be proposed and investigated by relevant calculating and simulating of thermo-dynamics in normal and peak heat flux condition. With computational fluid dynamics (CFD) code FLUENT, the actual temperature distribution of key components of HCSB-TBM is simulated. (authors)

2009-06-01

104

Analysis of a manipulator in relation to collision between a link and an object  

British Library Electronic Table of Contents (United Kingdom)

In this article, equations of motion of a manipulator are derived after consideration of the characteristics of the driving source. By considering a collision between a link and an object, and considering the active motion to absorb the kinetic energy of the object, the trajectories for saving energy are calculated by the iterative dynamic programming (IDP) method. The dynamic characteristics of manipulator control based on the trajectory for saving energy are also analyzed theoretically and investigated experimentally.

2011-01-01

105

Static and dynamic muonic-atom codes-MUON and RURP  

International Nuclear Information System (INIS)

Muonic-atom energy levels and wave functions are calculated. The results are corrected for nearly all important static effects, including finite nuclear size as produced by a user-specified nuclear charge distribution. Fourth-order Runge-Kutta integration of the radial Dirac equations, with the secant method determining the eigenvalues. Corrections are either included as potentials in the Dirac equations or computed as first-order perturbations. The code assumes spherical symmetry, so that effects of nuclear deformation may be treated only as static first-order perturbations. Dynamic muon-electron and muon-nuclear effects are neglected (the latter are calculated by RURP). (Auth.).

1979-02-01

106

Simulation of Pulsed Neutron Activation using a CFD code  

International Nuclear Information System (INIS)

Tests for the applicability of a CFD (Computational Fluid Dynamics) code for simulating activity transport in PNA (Pulsed Neutron Activation) fluid measurements have been performed. The CFD code was combined with a Monte Carlo code used for the calculation of the initial activity distribution. The results from the calculations show that it is possible to use CFD for calculation of the activity distribution in PNA. The mainly qualitative results in this work are encouraging and suggest further work. In the continuation of this work a response function for the gamma detector will be calculated so that a PNA time spectrum can be simulated. A more accurate comparison with experimental data can then be performed

2008-09-14

107

CRC handbook of nuclear reactors calculations. Vol. II  

International Nuclear Information System (INIS)

This handbook breaks down the complex field of nuclear reactor calculations into major steps. Each step presents a detailed analysis of the problems to be solved, the parameters involved, and the elaborate computer programs developed to perform the calculations. This book bridges the gap between nuclear reactor theory and the implementation of that theory, including the problems to be encountered and the level of confidence that should be given to the methods described. Volume II: Monte Carlo Calculations for Nuclear Reactors. In-Core Management of Four Reactor Types. In-Core Management in CANDU-PHW Reactors. Reactor Dynamics. The Theory of Neutron Leakage in Reactor Lattices. Index.

108

A parametric analysis of decay ratio calculations in a boiling water reactor model  

Energy Technology Data Exchange (ETDEWEB)

The results of an investigation of the effects of several parameters on the reactivity instability of a Boiling Water Reactor (BWR) calculational model are summarized. Calculations were performed for a typical BWR operated at low flow conditions, where reactivity instabilities are more likely to occur. The parameters investigated include the axial power shape (characterized by two separate parameters), the core pressure, and operating flow. All calculations were performed using the LAPUR code which was developed at the Oak Ridge National Laboratory for the dynamic modeling of large BWR's. 4 refs., 8 figs.

1989-01-01

109

Time-dependent wavepacket calculations of molecular scattering from surfaces  

International Nuclear Information System (INIS)

An outline is given of time-dependent wavepacket methods as applied to calculations of molecular collisions with solid surfaces. The methods reviewed include numerical integration algorithms for the time-dependent Schroedinger equation, semiclassical wavepacket treatments, and approximations that treat some of the degrees-of-freedom quantum-mechanically and others classically. The computational and numerical characteristics of these methods are discussed, with emphasis on their particular advantages and relevance in the context of certain molecule/surface scattering problems. For the semiclassical and mixed quantal-classical treatments, the approximation errors and their physical origins are discussed. For the quantum wavepacket techniques a numerical error analysis is presented. The computational efficiency of the various algorithms is considered and examined in the context of several applications. The main focus is on ...

1986-01-01

110

Interacting tachyons in classical and quantum physics  

International Nuclear Information System (INIS)

It is demonstrated that tachyons do not violate the principles of relativity, and that, with the aid of a reinterpretation principle to eliminate negative energies, tachyons can be characterized as particles of real, spacelike 4-momentum. The classical, charged tachyon is treated within conventional electromagnetic theory, and in an explicitly Lorentz-invariant way. It is shown that a charged tachyon would not emit electromagnetic radiation in a vacuum regardless of its state of motion. A theory based on the real-energy solutions of the Klein-Gordon equation with imaginary mass is shown to provide the best opportunity for describing spinless tachyons in quantum field theory. The theory should be Lorentz-invariant, incorporate the reinterpretation principle to remove negative energies, and be as close as possible to conventional quantum theory. The proposal of Arons and Sudarshan is adopted as best fulfilling these requirements. A ...

111

Generalized quantum theory of recollapsing homogeneous cosmologies  

International Nuclear Information System (INIS)

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

2004-06-15

112

Bound state QED effects from the Schroedinger equation  

International Nuclear Information System (INIS)

We present a new relativistic bound-state formalism for two interacting Fermi-Dirac particles. The kernel of the integral equation for the bound-state system is generated by summing Feynman scattering amplitudes and multiplying by a bound-state amplitude. The method is illustrated through calculations of the hyperfine and fine splittings of positronium up to order #alpha#"5. Our calculations of the one-loop contributions are carried out in the explicitly covariant Feynman gauge. We also present new results for the hyperfine and fine splittings in positronium to order #alpha#"5 for arbitrary principal quantum number n, which are easily obtained owing to the virtue of conceptual and calculational simplicity of our formalism. In addition, we present the one-loop renormalization scheme in our formalism. (author).

113

Dynamic modelling of check valves in shipping terminals; Modelagem dinamica de valvulas de retencao em terminais maritimos  

Energy Technology Data Exchange (ETDEWEB)

As usual a shipping terminal contains a header and its diameter is smaller than the main pipeline diameter. This diameter reduction amplifies the effects caused by hydraulic transients. It was noticed during simulations that check valves without dynamic modeling may introduce some error in the maximum pressure results without a dynamic model approach. The current paper uses commercial pipeline simulation software to model the dynamic behavior of the check valves. It was studied the header diameter influence and how the check valve model type may change the maximum pressure in the pipeline. It was proved that even a pipeline that works with low pressure and small elevation drop needs a detailed valve modeling to prevent the calculation of unreal pressure values in the region with diameter reduction. (author)

2005-07-01

114

Fluctuation properties of strength function phenomena: A model study  

Energy Technology Data Exchange (ETDEWEB)

We study fluctuation properties of strength function phenomena by employing a quantum mechanical model where a single parent state couples with a large number of background states. The background system is devised in such a way that the classical dynamics of the system may show a regular, an irregular, or a chaotic character as a function of a single parameter. The coupling of the parent state to the background states produces a fragmentation of the parent state, giving rise to a strength function phenomenon. We study various measures of the strength function that characterize its bulk structure or fluctuation properties. They include energy moments, strength distribution, fractal dimensions of the strength function, and Fourier transform of the autocorrelation function. Some of these measures, such as strength distribution or Fourier transform of the autocorrelation function, reflect characteristic aspects of the dynamics ...

1997-07-01

115

Molar excess volumes of liquid hydrogen and neon mixtures from path integral simulation  

Energy Technology Data Exchange (ETDEWEB)

Volumetric properties of liquid mixtures of neon and hydrogen have been calculated using path integral hybrid Monte Carlo simulations. Realistic potentials have been used for the three interactions involved. Molar volumes and excess volumes of these mixtures have been evaluated for various compositions at 29 and 31.14 K, and 30 atm. Significant quantum effects are observed in molar volumes. Quantum simulations agree well with experimental molar volumes. Calculated excess volumes agree qualitatively with experimental values. However, contrary to the existing understanding that large positive deviations from ideal mixtures are caused due to quantum effects in Ne{endash}H{sub 2} mixtures, both classical as well as quantum simulations predict the large positive deviations from ideal mixtures. Further investigations using two other Ne{endash}H{sub 2} potentials of ...

1999-07-01

116

Molar excess volumes of liquid hydrogen and neon mixtures from path integral simulation  

International Nuclear Information System (INIS)

Volumetric properties of liquid mixtures of neon and hydrogen have been calculated using path integral hybrid Monte Carlo simulations. Realistic potentials have been used for the three interactions involved. Molar volumes and excess volumes of these mixtures have been evaluated for various compositions at 29 and 31.14 K, and 30 atm. Significant quantum effects are observed in molar volumes. Quantum simulations agree well with experimental molar volumes. Calculated excess volumes agree qualitatively with experimental values. However, contrary to the existing understanding that large positive deviations from ideal mixtures are caused due to quantum effects in Ne - H_2 mixtures, both classical as well as quantum simulations predict the large positive deviations from ideal mixtures. Further investigations using two other Ne - H_2 potentials of Lennard - Jones (LJ) ...

1999-07-01

117

The role of large-scale, extratropical dynamics in climate change  

Energy Technology Data Exchange (ETDEWEB)

The climate modeling community has focused recently on improving our understanding of certain processes, such as cloud feedbacks and ocean circulation, that are deemed critical to climate-change prediction. Although attention to such processes is warranted, emphasis on these areas has diminished a general appreciation of the role played by the large-scale dynamics of the extratropical atmosphere. Lack of interest in extratropical dynamics may reflect the assumption that these dynamical processes are a non-problem as far as climate modeling is concerned, since general circulation models (GCMs) calculate motions on this scale from first principles. Nevertheless, serious shortcomings in our ability to understand and simulate large-scale dynamics exist. Partly due to a paucity of standard GCM diagnostic calculations of large-scale motions and their transports of ...

1994-02-01

118

Interactions between heavy mesons and Goldstone bosons from chiral dynamics  

Energy Technology Data Exchange (ETDEWEB)

We calculate the S-wave scattering lengths for charmed mesons scattering off Goldstone bosons and explore their quark mass dependence using the chiral perturbation theory up to next-to-leading order as well as a unitarized version of it. The quark mass dependence of all scattering lengths determined in a recent lattice calculation can be reproduced by the unitarized version. We also discuss signals of possible bound states in these observables. (orig.)

2009-05-15

119

Charmonium with three flavors of synamical quarks  

Energy Technology Data Exchange (ETDEWEB)

We present a calculation of the charmonium spectrum with three flavors of dynamical staggered quarks from gauge configurations that were generated by the MILC collaboration. We use the Fermilab action for the valence charm quarks. Our calculation of the spin-averaged 1P-1S and 2S-1S splittings yields a determination of the strong coupling, with {alpha}{sub {ovr MS}}(M{sub Z}) = 0.119(4).

2003-12-23

120

Calculation of the temperature dependence of the phonon spectrum of Nb/sub 3/Sn  

Energy Technology Data Exchange (ETDEWEB)

With the help of the symmetry at the P point, we have determined the relations between the force constants and the moduli of elasticity for A-15 compounds. Based on these relations, a semi-experimental method for the study of the lattice dynamic behaviors of A-15 compounds is developed. Numerical calculations of the phonon spectrum of Nb/sub 3/Sn and its temperature dependence have been made, and they are in good agreement with the experimental data.

1986-12-01

121

An intelligent management system for corporate information- calculating network development  

CERN Document Server

An approach to solving the problem of managerial control quality improvement corporate information-calculating networks (CICN) is proposed. The approach is based on the concept of a flexible toolkit. A macro-model, system-science and system-engineering models of an intelligent managerial control system (IMCS) for CICN development are considered as well as its dynamics. The practical opportunity of IMCS implementation is assessed. (5 refs).

2001-01-01

122

A nonlinear model for DNA dynamics  

Science.gov (United States)

In this paper the thermal equilibrium number of solitons in DNA as a function of absolute temperature and the number of base pairs is calculated. These calculations are effected by modeling DNA as a Toda lattice with parameters chosen to match experimentally measured properties of DNA. It is found that a significant number of solitons is generated at physiological temperature. 23 refs., 2 figs.

1989-07-01

123

Application of GO methodology in reliability analysis of offsite power supply of Daya Bay NPP  

International Nuclear Information System (INIS)

The author applies the GO methodology to reliability analysis of the offsite power supply system of Daya Bay NPP. The direct quantitative calculation formulas of the stable reliability target of the system with shared signals and the dynamic calculation formulas of the state probability for the unit with two states are derived. The method to solve the fault event sets of the system is also presented and all the fault event sets of the outer power supply system and their failure probability are obtained. The resumption reliability of the offsite power supply system after the stability failure of the power net is also calculated. The result shows that the GO methodology is very simple and useful in the stable and dynamic reliability analysis of the repairable system

2003-02-01

124

Testing Effective Quantum Gravity with Gravitational Waves from Extreme-Mass-Ratio Inspirals  

CERN Document Server

Testing deviation of GR is one of the main goals of the proposed {\\emph{Laser Interferometer Space Antenna}}, a space-based gravitational-wave observatory. For the first time, we consistently compute the generation of gravitational waves from extreme-mass ratio inspirals (stellar compact objects into supermassive black holes) in a well-motivated alternative theory of gravity, that to date remains weakly constrained by double binary pulsar observations. The theory we concentrate on is Chern-Simons (CS) modified gravity, a 4-D, effective theory that is motivated both from string theory and loop-quantum gravity, and which enhances the Einstein-Hilbert action through the addition of a dynamical scalar field and the parity-violating Pontryagin density. We show that although point particles continue to follow geodesics in the modified theory, the background about which they inspiral is a modification to the Kerr metric, which imprints a CS ...

2009-01-01

125

Path integral of the hydrogen atom, Jacobi's principle of least action and one-dimensional quantum gravity  

International Nuclear Information System (INIS)

A path integral evaluation of the Green's function for the hydrogen atom initiated by Duru and Kleinert is studied by recognizing it as a special case of the general treatment of the separable Hamiltonian of Liouville type. The basic dynamical principle involved is identified as Jacobi's principle of least action for given energy which is reparametrization invariant, and thus the appearance of a gauge freedom is naturally understood. The separation of variables in the operator formalism corresponds to a choice of gauge in the path integral, and the Green's function is shown to be gauge independent if the operator ordering is properly taken into account. Unlike the conventional Feynman path integral, which deals with a space-time picture of particle motion, the path integral on the basis of Jacobi's principle sums over orbits in space. We illustrate these properties by evaluating an exact path integral of the Green's function for the hydrogen atom in parabolic ...

126

Is loop quantization in cosmology unique?  

CERN Document Server

We re-examine the process of loop quantization for flat isotropic models in cosmology. In particular, we contrast different inequivalent `loop quantizations' of these simple models through their respective successes and limitations and assess whether they can lead to any viable physical description. We propose three simple requirements which any such admissible quantum model should satisfy: i) independence from any auxiliary structure, such as a fiducial interval/cell introduced to define the phase space when integrating over non-compact manifolds; ii) existence of a well defined classical limit and iii) provide a sensible "Planck scale" where quantum gravitational effects become manifest. We show that even when it may seem that one can have several possible loop quantizations, these physical requirements considerably narrow down the consistent choices. Apart for the so called improved dynamics of LQC, none of the other ...

2008-01-01

127

Effect of velocity variation on secondary-ion-emission probability: Quantum stationary approach  

Energy Technology Data Exchange (ETDEWEB)

The ion-velocity dependence of the ionization probability for an atom ejected from a surface is examined by using a quantum approach in which the coupled motion between electrons and the outgoing nucleus is followed along the whole trajectory by solving the stationary Schroedinger equation. We choose a very-small-cluster-model system in which the motion of the atom is restricted to one dimension, and with energy potential curves corresponding to the involved channels varying appreciably with the atom position. We found an exponential dependence on the inverse of the asymptotic ion velocity for high emission energies, and a smoother behavior with slight oscillations at low energies. These results are compared with those obtained within a dynamical-trajectory approximation using either a constant velocity equal to the asymptotic ionic value, or expressions for the velocity derived from the eikonal approximation and from the classical limit of the ...

1989-11-01

128

Optimization of segment weight using simulated dynamics algorithm for beamlet-based IMRT  

International Nuclear Information System (INIS)

With accurate calculation algorithms in inverse planning for beamlet-based intensity modulated radiotherapy (IMRT), it takes time to calculate the dose matrix, which represents the dose distribution of each beamlet element to each voxel for unit fluence. To reduce the calculation time, coarse or approximate algorithms are often a choice, but this results in a final dose distribution that cannot reflect the real value. In addition, it is necessary to test if a coarse algorithm is capable of calculating the dose matrix of beamlets. In this work, simulated dynamics optimization algorithm was applied to optimize the segment weight to minish the dose error from the dose matrix calculation. After calculating the dose matrix by ray-tracing algorithm which takes into account just the primary component of absorbed dose, the original beam profile ...

2007-08-01

129

Coupling calculation of CFD-ACE computational fluid dynamics code and DeCART whole-core neutron transport code for development of numerical reactor  

Energy Technology Data Exchange (ETDEWEB)

Code coupling activities have so far focused on coupling the neutronics modules with the CFD module. An interface module for the CFD-ACE/DeCART coupling was established as an alternative to the original STAR-CD/DeCART interface. The interface module for DeCART/CFD-ACE was validated by single-pin model. The optimized CFD mesh was decided through the calculation of multi-pin model. It was important to consider turbulent mixing of subchannels for calculation of fuel temperature. For the parallel calculation, the optimized decompose process was necessary to reduce the calculation costs and setting of the iteration and convergence criterion for each code was important, too.

2005-03-15

130

Calculation of ventilation requirements in the case of intermittent pollution: application to enclosed parking garages  

Energy Technology Data Exchange (ETDEWEB)

The ventilation requirements for decontamination are normally determined with a static calculation method. In some cases, the pollutant emission is intermittent, for example in the car park of an office building, where all the cars enter and leave the place nearly at the same time. Generally, in such a case, the volume of the garage is large, consequently the time constant of the system has a high value. So a static approach would no longer stay accurate and a dynamic evaluation is needed. With the help of some assumptions, calculations remain rather simple and results can be plotted on nomographs or computed on a programmable handheld calculator. The amount of energy saved may appear very large in some cases. A sizing optimization will be required but also remains easy to compute. The paper presents the method of calculation for a single ventilation level and the optimization of a ...

1982-01-01

131

Theory of zwitterionic molecular-based organic magnets  

British Library Electronic Table of Contents (United Kingdom)

We describe a class of organic molecular magnets based on zwitterionic molecules (betaine derivatives) possessing donor, p bridge, and acceptor groups. Using extensive electronic structure calculations we show the electronic ground-state in these systems is magnetic. In addition, we show that the large energy differences computed for the various magnetic states indicate a high Neel temperature. The quantum mechanical nature of the magnetic properties originates from the conjugated p bridge (only p electrons) in cooperation with the molecular donor-acceptor character. The exchange interactions between electron spin are strong, local, and independent on the length of the p bridge.

2011-01-01

132

On the validity of the pseudo-spin concept for axially symmetric deformed nuclei  

International Nuclear Information System (INIS)

The average single-particle field shows a very small pseudo-spin-orbit splitting in the pseudo-spin representation. If this splitting is neglected, pseudo-spin becomes a good quantum number and the resulting scheme (the pseudo-Nilsson model) has a very simple interpretation. The pseudo-spin symmetry embodied in the realistic deformed average field is explored by comparing the single-particle energies and wave functions of the deformed Woods-Saxon model with the corresponding results of the pseudo-Nilsson model. The scheme is used to calculate the magnetic moments of deformed odd-A nuclei of the rare-earth region. (orig.).

133

Electromagnetic decay properties of multiparticle-hole states in neutron deficient Mo and Tc isotopes  

Energy Technology Data Exchange (ETDEWEB)

Neutron deficient nuclei with mass numbers A {approx} 90 and 40 {<=} Z {<=} 44 have been studied making use of the Osiris and Nordball spectrometers. The high spin states of these nuclei and their electromagnetic decay properties are compared to shell model calculations based on the core {sup 88}Sr and using different parametrizations of the residual interaction. The dependence of the mean square deviations of experimental and theoretical level energies, branching ratios, and transition probabilities on the neutron numbers N = 46-50 and the validity of seniority as a good quantum number are discussed. (orig.).

1995-12-31

134

A finite-dimensional fermionic TQFT  

CERN Document Server

A fermionic - based on Grassmann--Berezin calculus of anticommuting variables - topological quantum field theory (TQFT) is considered, mainly in three dimensions. It is defined for piecewise-linear manifolds and, for a given triangulation, deals only with a finite number of variables. Despite its simple nature, it can distiguish between lens spaces L(7,1) and L(7,2). And despite its origin from a kind of Reidemeister torsion, it does this without using nontrivial representations of the fundamental group. Also, symbolic calculations are presented giving strong evidence of existence of similar theory in four dimensions.

2011-01-01

135

Configuration interaction studies of the HeH"+ molecular ion. IV. The triplet sigma, pi, and delta states  

International Nuclear Information System (INIS)

The method of superposition of configurations was applied to the triplet sigma, pi, and delta states of HeH"+ which correlate to the separated atom states of principal quantum number less than or equal to 3. The calculations were done for internuclear separations, 0< or =R< or =65.5 a.u., on a mesh adequate for interpolation. Similar calculations on the singlet states have already been reported. The present calculations complete the accurate evaluation of the potential energy curves for this system which are required for low- and intermediate-energy collision studies. In addition to the energy eigenvalues and eigenfunctions, dipole, gradient, and radial coupling matrix elements were calculated for the sigma and pi states. Primarily, this paper presents information on the eigenvalues. The accuracy of the triplet-state calculations is comparable to that ...

8711-01-01

136

A Fast Parallel Algorithm for Selected Inversion of Structured Sparse Matrices with Application to 2D Electronic Structure Calculations  

Energy Technology Data Exchange (ETDEWEB)

We present an efficient parallel algorithm and its implementation for computing the diagonal of $H^-1$ where $H$ is a 2D Kohn-Sham Hamiltonian discretized on a rectangular domain using a standard second order finite difference scheme. This type of calculation can be used to obtain an accurate approximation to the diagonal of a Fermi-Dirac function of $H$ through a recently developed pole-expansion technique \\cite{LinLuYingE2009}. The diagonal elements are needed in electronic structure calculations for quantum mechanical systems \\citeHohenbergKohn1964, KohnSham 1965,DreizlerGross1990. We show how elimination tree is used to organize the parallel computation and how synchronization overhead is reduced by passing data level by level along this tree using the technique of local buffers and relative indices. We analyze the performance of our implementation by examining its load balance and communication overhead. We show that ...

2009-09-25

138

Quantum secure direct communication scheme using a W state and teleportation  

International Nuclear Information System (INIS)

A theoretical scheme for quantum secure direct communication (QSDC) is proposed, where a three-qubit symmetric W state functions as a quantum channel. Two legitimate communicators can transmit their secret information by using quantum teleportation and local measurements.

2006-11-01

140

Transition-metal dimers and physical limits on magnetic anisotropy  

British Library Electronic Table of Contents (United Kingdom)

Recent advances in nanoscience have raised interest in the minimum bit size required for classical information storage. This bit size is determined by the necessity for bistability with suppressed quantum tunnelling and energy barriers that exceed ambient temperatures. In the case of magnetic information storage, much attention has centred on molecular magnets with bits consisting of about 100 atoms, magnetic uniaxial anisotropy energy barriers of about 50?K and very slow relaxation at low temperatures. Here, we draw attention to the remarkable magnetic properties of some transition-metal dimers, which have energy barriers approaching 500?K with only two atoms. The spin dynamics of these ultrasmall nanomagnets is strongly affected by a Berry phase, which arises from quasi-degen...

2007-01-01

141

Optimized pulse sequences for the suppression of decoherence in quantum information  

International Nuclear Information System (INIS)

The dynamical decoupling (DD) aims at suppressing the decoherence by means of coherent control pulses. Even if devices exist where instantaneous pulses are an adequate approximation, experimentally a finite duration #tau#_p and a bounded amplitude are inevitable. They are the cause of additional errors which can be corrected by designing the pulse shape appropriately. The new pulse has the overall effect of an ideal, instantaneous pulse with the advantage of decoupling the spin (or qubit) from the bath up to the order O(#tau#_p"3). The limitation of the no-go theorem for #pi# pulses is avoided. Hence, the Uhrig sequence (UDD), originally thought for ideal #pi# pulses, works also for bounded control Hamiltonians. Numerical simulations show that concatenated sequences of real pulses are effective against general decoherence.

2010-03-21

142

On the elliptical flow and mass asymmetry of the colliding nuclei  

British Library Electronic Table of Contents (United Kingdom)

A study of elliptical flow is carried out for different mass asymmetries of colliding nuclei using the reactions of Formula Not Shown ( Formula Not Shown ), Formula Not Shown ( Formula Not Shown ) and Formula Not Shown ( Formula Not Shown ). The present reactions are simulated at incident energies between 50 and 250 MeV/nucleon within the framework of isospin-dependent quantum molecular dynamics model. For the present analysis, total mass of colliding pairs is kept fixed and mass asymmetry is varied between 0.3 and 0.7. The elliptical flow shows a transition from in-plane to out-of-plane in the mid rapidity region with incident energy. The transition energy is found to increase with the mass asymmetry for light charged particles. A good agreement is obtained with experimental measurements.

2011-01-01

143

From dispersion relations to spectral dimension - and back again  

CERN Document Server

The so-called spectral dimension is a scale-dependent number associated with both geometries and field theories that has recently attracted much attention, driven largely though not exclusively by investigations of causal dynamical triangulations (CDT) and Horava gravity as possible candidates for quantum gravity. We advocate the use of the spectral dimension as a probe for the kinematics of these (and other) systems in the region where spacetime curvature is small, and the manifold is flat to a good approximation. In particular, we show how to assign a spectral dimension (as a function of so-called diffusion time) to any arbitrarily specified dispersion relation. We also analyze the fundamental properties of spectral dimension using extensions of the usual Seeley-DeWitt and Feynman expansions, and by saddle point techniques. The spectral dimension turns out to be a useful, robust and powerful probe, not only of geometry, but also of ...

2011-01-01

144

Decoherence-free neutron interferometry  

International Nuclear Information System (INIS)

Perfect single-crystal neutron interferometers are adversely sensitive to environmental disturbances, particularly mechanical vibrations. The sensitivity to vibrations results from the slow velocity of thermal neutrons and the long measurement time that are encountered in a typical experiment. Consequently, to achieve a good interference solutions for reducing vibration other than those normally used in optical experiments must be explored. Here we introduce a geometry for a neutron interferometer that is less sensitive to low-frequency vibrations. This design may be compared with both dynamical decoupling methods and decoherence-free subspaces that are described in quantum information processing. By removing the need for bulky vibration isolation setups, this design will make it easier to adopt neutron interferometry to a wide range of applications and increase its sensitivity.

2009-05-01

145

Consistency conditions in the chiral ring of super Yang-Mills theories  

CERN Document Server

Starting from the generalized Konishi anomaly equations at the non-perturbative level, we demonstrate that the algebraic consistency of the quantum chiral ring of the N=1 super Yang-Mills theory with gauge group U(N), one adjoint chiral superfield X and N_f<=2N flavours of quarks implies that the periods of the meromorphic one-form Tr dz/(z-X) must be quantized. This shows in particular that identities in the open string description of the theory, that follow from the fact that gauge invariant observables are expressed in terms of gauge variant building blocks, are mapped onto non-trivial dynamical equations in the closed string description.

2007-01-01

146

W algebras in conformal quantum field theory  

International Nuclear Information System (INIS)

A new algorithm for constructing extensions of the Virasoro algebra by primary fields - so called W-algebras - is presented. With the help of REDUCE all W-algebras with one further primary field up to conformal dimension 9 were calculated. Furthermore I give an interpretation of the obtained results using fusion algebras. The algorithm could also be used for constructing extensions of the super Virasoro algebra which play an important role in superstring theory. I present two examples here. With using representation theory of Kac-Moody algebras I determine the minimal field content of the super W_3 algebra. Finally, the general coset models SU(2)_kxSU(2)_m/SU(2)_k_+_m and SU(3)_kxSU(3)_m/SU(3)_k_+m are investigated. I calculate which W-algebras are likely contained in these cosets. (orig.).

1991-01-01

147

Procedure for radiation dose control in irradiated tissues during electron-beam therapy  

International Nuclear Information System (INIS)

The invention refers a procedure of radiation dose control in irradiated tissues during electron-beam therapy. It aims at meeting the planned radiation dose for diseased tissues and taking care of the healthy ones. Therefore, the dose distribution required is determined before irradiation in consideration of such factors as energy-dependence of detector sensitivity, self-absorption within the tissue, and relative biological effectiveness. Furthermore, the expected intensity distribution of secondary quantum radiation excited in the irradiated tissue is calculated. A radiation detector for local resolution is used for registration. During irradiation the calculated intensity distribution is compared with the measured one. The invention is applicable in radiation therapy with monoenergetic electron beams.

1984-11-08

148

Important effects of neighbouring nucleotides on electron induced DNA single-strand breaks  

British Library Electronic Table of Contents (United Kingdom)

In this Letter, we present Quantum Mechanics/Molecular Mechanics (QM/MM) calculations on molecules containing a 2-deoxycytidine-3prime-monophosphate moiety (3prime-dCMPH). In particular, we examine the effect that including neighbouring nucleotides at the Molecular Mechanic (MM) level has on the calculated electron affinities and on the energetic barriers of the C3prime-O3prime bond cleavage. Our results demonstrate that the surrounding nucleotides relocate the excess electron from the p* orbital of the base to a diffuse phosphate-centred orbital, leading to the formation of a dipole-bound anion state. Both the electron affinities and the activation energy of C3prime-O3prime bond cleavage are strongly increased.

2009-01-01

149

Conformational analysis of ethyl azidoformate  

International Nuclear Information System (INIS)

A conformational analysis of ethyl azidoformate (EAF) has been carried out by the MINDO/3 quantum-chemical method. It has been shown that EAF exists in the form of two conformers differing with respect to rotation around the C-N bond. Complete optimization of the geometry has been carried out for both conformers. It has been found that the transoid conformation is planar and that the cisoid conformation is nonplanar. The height of the rotation barrier is 15.4 kcal/mole. The optimal geometry of the transition state has been calculated. It has been noted that a significant role in the mechanism of the conformational transition is played by the inversion of a nitrogen, which facilitates the transition. The results of the calculation have been confirmed by IR-spectroscopic data.

150

Comparison of EH with SW-X/sub alpha/ calculations. Electronic structure of small niobium clusters  

Energy Technology Data Exchange (ETDEWEB)

The electronic structure of small niobium clusters Nb/sub n/ (n = 2, 4, 6, 9) has been calculated applying two different quantum-chemical approximation methods (Extended Hueckel (EH) method; SW-X/sub alpha/ method). It was found that both the methods led to the same results concerning equilibrium structures, energy level schemes, Fermi energies and band widths as well as the densities of states of the clusters. In solving solid state problems of transition metals with the aid of the cluster model a better adaptation of the EH method should be expected by adjusting the EH parameters to the SW-X/sub alpha/ results.

1982-01-01

151

A microscopic model of electronic field noise heating in ion traps  

CERN Document Server

Motional heating of ions in micro-fabricated traps is a challenge hindering experimental realization of large-scale quantum processing devices. Recently a series of measurements of the heating rates in surface-electrode ion traps characterized their frequency, distance, and temperature dependencies, but our understanding of the microscopic origin of this noise is still vague. In this work we develop a theoretical model for the electric field noise which is associated with a random distribution of adsorbed atoms on the trap electrode surface. By using first principle calculations of the fluctuating dipole moments of the adsorbed atoms we evaluate the distance, frequency and temperature dependence of the resulting electric field fluctuation spectrum.Our theory calculates the noise spectrum beyond the standard scenario of two-level fluctuators, by incorporating all the relevant vibrational states. The $1/f$ noise is shown to ...

2011-01-01

152

Methodological study of hemodynamic analysis of lung mass by contrast enhanced dynamic CT  

Energy Technology Data Exchange (ETDEWEB)

We investigated a method of analyzing the hemodynamics of the lung mass by contrast enhanced dynamic computed tomography (dynamic CT) to determine the difference in vascular supply between the pulmonary artery and bronchial artery using an experimental model. Our experimental model consisted of two injectors connected to two tubes, representing the pulmonary artery and bronchial artery, which were further connected to a chamber representing the lung mass. Following infusion of contrast medium into each tube with some delay time, dynamic CT scans were performed to obtain time density curves of the two tubes and the chamber. Using the time-density curve of contrast passage, flow rates from the two tubes into the chamber were calculated by the curve fitting method. Calculated values correlated well with the adopted flow rates of fluid from the injectors (r=0.893) in the experiment. The ...

1996-06-01

153

Methodological study of hemodynamic analysis of lung mass by contrast enhanced dynamic CT  

International Nuclear Information System (INIS)

We investigated a method of analyzing the hemodynamics of the lung mass by contrast enhanced dynamic computed tomography (dynamic CT) to determine the difference in vascular supply between the pulmonary artery and bronchial artery using an experimental model. Our experimental model consisted of two injectors connected to two tubes, representing the pulmonary artery and bronchial artery, which were further connected to a chamber representing the lung mass. Following infusion of contrast medium into each tube with some delay time, dynamic CT scans were performed to obtain time density curves of the two tubes and the chamber. Using the time-density curve of contrast passage, flow rates from the two tubes into the chamber were calculated by the curve fitting method. Calculated values correlated well with the adopted flow rates of fluid from the injectors (r=0.893) in the experiment. The ...

154

Tachyons as viewed from quantum field theory  

International Nuclear Information System (INIS)

The authors present a summary of the present state of the quantum field theory of tachyons. (W.D.L.).

155

Quantum Discord and Quantum Computing - An Appraisal  

CERN Document Server

We discuss models of computing that are beyond classical. The primary motivation is to unearth the cause of nonclassical advantages in computation. Completeness results from computational complexity theory lead to the identification of very disparate problems, and offer a kaleidoscopic view into the realm of quantum enhancements in computation. Emphasis is placed on the `power of one qubit' model, and the boundary between quantum and classical correlations as delineated by quantum discord. A recent result by Eastin on the role of this boundary in the efficient classical simulation of quantum computation is discussed. Perceived drawbacks in the interpretation of quantum discord as a relevant certificate of quantum enhancements are addressed.

2011-01-01

156

Geometric and topological methods for quantum field theory  

CERN Document Server

An introduction to recent developments in several active topics at the interface between algebra, geometry, topology and quantum field theory

2010-01-01

157

Simulation of concrete perforation based on a continuum damage model  

Energy Technology Data Exchange (ETDEWEB)

Numerical simulation of dynamic fracture of concrete slabs, impacted by steel projectiles, was carried out in this study. The concrete response was described by a continuum damage model. This continuum damage model was originally developed to study rock fragmentation and was modified in the present study with an emphasis on the post-limit structural response. The model was implemented into a transient dynamic explicit finite element code LS-DYNA2D and the code was then used for the numerical simulations. The specific impact configuration of this study follows the experiment series conducted by Hanchak et al. Comparisons between calculated results and measured data were made. Good agreements were found.

1994-10-01

158

Non-linear mathematical model of dynamics of horizontal steam generator for nuclear power unit with pressurized water reactor  

International Nuclear Information System (INIS)

A non-linear mathematical model of dynamics of horizontal steam generator for nuclear power unit with WWER type reactor is presented. To realize this model the GEMMA-120 simulation language for computer Odra-1204 has been used. Necessity of taking into account disposited thermal storage capacities along tubulation of a primary cycle is demonstrated. A number of lumped elements of reactor division against a required static accuracy of calculations has been determined. (author).

1977-01-01

159

Nastran nonlinear dynamic transient accident analysis for FFTF reactor component  

International Nuclear Information System (INIS)

A nonlinear dynamic transient analysis merging hand calculations and the NASTRAN structural analysis computer code was conducted for a Fast Flux Test Facility in-reactor test assembly during an extremely unlikely design basis accidental event which is considered a Hypothetical Core Disruptive Accident (HCDA). The finite element modeling of the problem took advantage of NASTRAN's versatility to create loads and nonlinear elements not previously found in NASTRAN's library. The structural criteria for the test assembly to withstand an HCDA stipulates that the test assembly and its spoolpiece shall remain integral with the reactor head such that missiles are not generated.

1976-11-15

160

Quantum computing with trapped ions  

Energy Technology Data Exchange (ETDEWEB)

Quantum computers hold the promise of solving certain computational tasks much more efficiently than classical computers. We review recent experimental advances towards a quantum computer with trapped ions. In particular, various implementations of qubits, quantum gates and some key experiments are discussed. Furthermore, we review some implementations of quantum algorithms such as a deterministic teleportation of quantum information and an error correction scheme.

2008-12-15

161

A dynamic model of a locomotive diesel engine and electrohydraulic governor  

Energy Technology Data Exchange (ETDEWEB)

As part of a comprehensive simulation of a prototype locomotive propulsion system, a detailed model has been developed which predicts the dynamic response of an experimental 2-stroke, turbocharged and intercooled diesel engine. Engine fueling and brake torque are computed from regression equations derived from an extensive data base. Corrections are applied to the calculated steady-state torque to account for dynamic deviations of in-cylinder trapped air-fuel ratio from the steady-state value. The engine simulation accurately represents the operation of the turbo-charger, which is gear-driven at low turbocharger speeds, and freewheels through an overrunning clutch when exhaust energy accelerates the turbocharger beyond its geared speed. Engine fueling level, ie, rack, is determined from a dynamic simulation of an electrohydraulic governor which responds to the difference between the desired and the ...

1988-01-01

162

Moving train loads identification on a continuous steel truss girder by using dynamic displacement influence line method  

British Library Electronic Table of Contents (United Kingdom)

This paper presents a dynamic displacement influence line method for moving load identification on bridge. The finite element model of Poyang Lake continuous truss bridge-train systems is established and the dispersed modal shapes are acquired by modal analysis. Multi-axle moving train loads are identified with simulated annealing genetic algorithm by minimizing the errors between the measured displacements and the reconstructed displacements from the identified moving loads. In the identification process, the dynamic displacement influence line technique is used to calculate the time history displacement responses of the bridge to avoid solving equations of motion of the bridge repetitively. Several important parameters of the bridge-train system are discussed to investigate their effects...

2011-01-01

163

A neuro power system stabilizer based on adaptive control technique  

Energy Technology Data Exchange (ETDEWEB)

A power system stabilizer based on GMV (Generalized Minimum Variance), one of the adaptive control techniques, is developed to enhance the dynamic performances of a power system using an Artificial Neural Network (ANN). The stabilizer consists of two parts. One part is Inverse Dynamics Neural Networks (IDNN), which is trained to identify the inverse dynamics of controlled plant and used as a one-step ahead controller, or inverse controller. The other part is Adaptive Reference Model (ARM), which prevents excessive controller output. The ARM produces the modified reference value by minimizing a cost function recursively on the assumption that the IDNN perfectly identifies the controlled plant. The IDNN is used in the minimization procedure to calculate the sensitivities. The proposed controller is simulated in a typical one-machine-infinite-bus power system to show its effectiveness to damp sustained low ...

1996-12-31

164

Atomistic Simulation of Water Percolation and Proton Hopping in Nafion Fuel Cell Membrane  

Energy Technology Data Exchange (ETDEWEB)

We have performed a detailed analysis of water clustering and percolation in hydrated Nafion configurations generated by classical molecular dynamics simulations. Our results show that at low hydration levels H2O molecules are isolated and a continuous hydrogen-bonded network forms as the hydration level is increased. Our quantitative analysis has established a hydration level (?) between 5 and 6 H2O/SO3- as the percolation threshold of Nafion. We have also examined the effect of such a network on proton transport by studying the structural diffusion of protons using the quantum hopping molecular dynamics method. The mean residence time of the proton on a water molecule decreases by two orders of magnitude when the ? value is increased from 5 to 15. The proton diffusion coefficient in Nafion at a ? value of 15 is about 1.1x10-5 cm2/s in agreement with experiment. The results provide quantitative atomic-level evidence of ...

2010-11-04

165

Iterative diagonalization in augmented plane wave based methods in electronic structure calculations  

International Nuclear Information System (INIS)

Due to the increased computer power and advanced algorithms, quantum mechanical calculations based on Density Functional Theory are more and more widely used to solve real materials science problems. In this context large nonlinear generalized eigenvalue problems must be solved repeatedly to calculate the electronic ground state of a solid or molecule. Due to the nonlinear nature of this problem, an iterative solution of the eigenvalue problem can be more efficient provided it does not disturb the convergence of the self-consistent-field problem. The blocked Davidson method is one of the widely used and efficient schemes for that purpose, but its performance depends critically on the preconditioning, i.e. the procedure to improve the search space for an accurate solution. For more diagonally dominated problems, which appear typically for plane wave based pseudopotential calculations, the inverse of the ...

2010-01-20

166

Nonlinear dynamic analysis of high energy line pipe whip  

Energy Technology Data Exchange (ETDEWEB)

This paper describes a nonlinear dynamic analysis of TVA high energy line pipe whip tests using the ABAQUS-EPGEN code. The analysis considers the effects of large deformation and strain rate on resisting moment and energy absorption capability. The numerical results of impact forces, impact velocities, pipe strains, and reaction forces at pipe supports are compared to the TVA test data. The calculated pipe whip impact time and forces are also compared with those predicted using current industry practice. The calculated pipe support reaction forces are found to be in good agreement with the TVA test data except for some peak values at the very beginning of the pipe break. These peaks are believed to be due to stress wave propagation which cannot be addressed by the ABAQUS code. Both elbow crushing and strain rate have been approximately simulated. The effects are found to be important for pipe whip impact evaluation.

1984-02-01

167

Fermion determinants in lattice QCD  

CERN Document Server

The main topic of this thesis concerns efficient algorithms for the calculation of determinants of the kind of matrix typically encountered in lattice QCD. In particular an efficient method for calculating the fermion determinant is described. Such a calculation is useful to illustrate the effects of light dynamical (virtual) quarks. The methods employed in this thesis are stochastic methods, based on the Lanczos algorithm, which is used for the solution of large, sparse matrix problems via a partial tridiagonalisation of the matrix. Here an implementation is explored which requires less exhaustive treatment of the matrix than previous Lanczos methods. This technique exploits the analogy between the Lanczos tridiagonalisation algorithm and Gaussian quadrature in order to calculate the fermion determinant. A technique for determining a number of the eigenvalues of the matrix is also ...

2001-01-01

168

Bound states in the quantum scalar electrodynamics  

International Nuclear Information System (INIS)

The next relativistic correction to #alpha# to for bound state mass of two charged scalar particles is calculated in the quantum scalar electrodynamics by the functional integral method. Contribution of the ''nonphysical'' time variable turned out to be important and leads to nonanalytic dependence of the bound state mass on #alpha#. In conclusion, one can say that the functional approach is the best mathematical representation to preserve the gauge invariance. The lowest approximation of this functional representation is the pure nonrelativistic Feynman path integral representation of the nonrelativistic Schroedinger equation. The functional integral representation shows that any regular series for next corrections to #alpha# does not exist and these corrections cannot be reduced to some terms of the nonrelativistic potential in the Schroedinger picture. In other words, the ''nonphysical'' time coordinate is important and leads to corrections ...

169

Critical assessment of the Schroedinger picture of quantum mechanics  

Energy Technology Data Exchange (ETDEWEB)

We provide an example in which the Heisenberg and the Schroedinger pictures of quantum mechanics give different results, thus confirming the statement of P.A.M. Dirac that the two pictures may lead to inequivalent results. We consider a one-dimensional nonrelativistic charged harmonic oscillator (frequency {omega}{sub 0} and mass m), and take into account the action of the radiation reaction and the vacuum electromagnetic forces on the charged oscillator. We show that the Heisenberg picture gives the correct value, {Dirac_h}{omega}{sub 0}/2, for the ground state energy of the harmonic oscillator in both cases of classical and quantized vacuum fields. In the case of the Schroedinger picture, considering classical vacuum fields, and using a simple calculation for the classical radiation reaction force that is valid in the limit of large mass (mc{sup 2} >> {Dirac_h}{omega}{sub 0}), we obtain the value {Dirac_h}{omega}{sub 0} for the ...

2002-12-16

172

Dynamic enhanced MRI of the subacromial bursa: correlation with arthroscopic and histological findings  

Energy Technology Data Exchange (ETDEWEB)

Objective: To assess dynamic MRI with Gd-DTPA enhancement for evaluating inflammatory changes in the subacromial bursa. Design and patients: We detected the signal intensity changes in dynamic MRI of the subacromial bursa, and confirmed these macroscopically by arthroscopy and histologically. The signal intensity was measured using built-in software, and the enhancement ratio (E ratio) was calculated from dynamic MR images. In addition, as a parameter of the rate of the increase in the signal intensity from 0 to 80 s, the mean increase per second in the E ratio was obtained as the coefficient of enhancement (CE). The correlation was studied of the E ratio and CE with the arthroscopic findings (redness, villous formation, thickening and adhesion), and of the E ratio and CE with the histological findings (capillary proliferation, papillary hyperplasia, fibrosis and inflammatory cell infiltration) of the ...

2003-09-01

173

The 2s{sup 1}2p{sup 4} autodetachment resonance in the C{sup -} negative ion  

Energy Technology Data Exchange (ETDEWEB)

The calculations of the photodetachment cross section for the C{sup -} negative ion has been performed within the newly-developed many-body theory method, the RPAE interchannel interaction and dynamic relaxation and polarization corrections being included. The 2s{sup 1}2p{sup 4} shape resonance is shifted to a higher photon energy and broadens as compared to the resonance parameters determined earlier within the RPAE, which is consistent with the experimental evidence and the recent R-matrix calculations. (orig.) 18 refs.

1998-08-10

174

First-principles studies of phase stability and the structural and dynamical properties of metal hydrides. Annual technical progress report, September 15, 1990--May 15, 1991  

Energy Technology Data Exchange (ETDEWEB)

We decided to investigate first the interaction of hydrogen with the 4d transition-metal series, with the first element being hcp Y. Because of the recent development of soft pseudopotentials, we chose to use the plane wave basis set to carry out the calculation. Since problems had been associated with the slow convergence in transition metals, we first tested the computational methods by studying the structural properties of Y; results were encouraging. We started the calculation of YH{sub x} with hydrogen occupying different interstitial sites.

1991-05-15

175

Elastic constants and volume changes associated with two high-pressure rhombohedral phase transformations in vanadium  

Energy Technology Data Exchange (ETDEWEB)

We present results from ab-initio electronic-structure calculations of mechanical properties of the rhombohedral phase of vanadium reported in recent experiments (R Ia), and other predicted high-pressure phases (R Ib and bcc), focusing on properties relevant to dynamic experiments. We find that of the three transitions the largest volume collapse (1.3%) is for the R Ia to R Ib transition. Calculations of the single crystal and polycrystal elastic constants reveal a remarkably small discontinuity across the phase transitions even at zero temperature where the transitions are first order.

2007-10-16

176

How quantum is the big bang?  

CERN Document Server

When quantum gravity is used to discuss the big bang singularity, the most important, though rarely addressed, question is what role genuine quantum degrees of freedom play. Here, complete effective equations are derived for isotropic models with an interacting scalar to all orders in the expansions involved. The resulting coupling terms show that quantum fluctuations do not affect the bounce much. Quantum correlations, however, do have an important role and could even eliminate the bounce. How quantum gravity regularizes the big bang depends crucially on properties of the quantum state.

2008-01-01

177

Estimation of the parameter covariance matrix for aone-compartment cardiac perfusion model estimated from a dynamic sequencereconstructed using map iterative reconstruction algorithms  

Energy Technology Data Exchange (ETDEWEB)

In dynamic cardiac SPECT estimates of kinetic parameters ofa one-compartment perfusion model are usually obtained in a two stepprocess: 1) first a MAP iterative algorithm, which properly models thePoisson statistics and the physics of the data acquisition, reconstructsa sequence of dynamic reconstructions, 2) then kinetic parameters areestimated from time activity curves generated from the dynamicreconstructions. This paper provides a method for calculating thecovariance matrix of the kinetic parameters, which are determined usingweighted least squares fitting that incorporates the estimated varianceand covariance of the dynamic reconstructions. For each transaxial slicesets of sequential tomographic projections are reconstructed into asequence of transaxial reconstructions usingfor each reconstruction inthe time sequence an iterative MAP reconstruction to calculate themaximum a ...

2004-01-01

178

Nonlinear dynamic analysis of high energy line pipe whip  

International Nuclear Information System (INIS)

To facilitate potential cost savings in pipe whip protection design, TVA conducted a 1'' high pressure line break test to investigate the pipe whip behavior. The test results are available to EPRI as a data base for a generic study on nonlinear dynamic behavior of piping systems and pipe whip phenomena. This paper describes a nonlinear dynamic analysis of the TVA high energy line tests using ABAQUS-EPGEN code. The analysis considers the effects of large deformation and high strain rate on resisting moment and energy absorption capability of the analyzed piping system. The numerical results of impact forces, impact velocities, and reaction forces at pipe supports are compared to the TVA test data. The pipe whip impact time and forces have also been calculated per the current NRC guidelines and compared. The calculated pipe support reaction forces prior to impact have been found to be in good agreement ...

179

Dynamic mass density and acoustic metamaterials  

Energy Technology Data Exchange (ETDEWEB)

Mass density of a composite is generally taken as the volume-averaged value of components' densities. Moreover, the same volume-averaged mass density is usually used to calculate the wave speed in the long-wavelength limit, i.e., where the wavelength is much larger than the size of the inhomogeneities. In this paper, we show via rigorous derivation that the dynamic mass density used in the calculation of (long-wavelength) wave speed can differ significantly from the static volume-averaged value. This recognition is shown to yield an excellent account of some recent experimental data, as well as to make possible the realization of acoustic metamaterials. Physical reason for the difference between two mass densities is attributed to the relative motion between the components. That is, the implicit assumption-that all components in a composite must move uniformly in the long-wavelength limit-can be violated in the ...

2007-05-15

180

Survey of the core helium flash with dynamic convection  

Energy Technology Data Exchange (ETDEWEB)

Calculations have been performed to study the dependence on model parameters of convectively heating the region interior to the core convection zone for core helium flash models. We find that interior heating always occurs on a time scale significantly shorter than the evolutionary time scale even at the peak of the flash.

1983-06-15

181

Surface brightness, galaxy evolution and cosmology  

Energy Technology Data Exchange (ETDEWEB)

The Thomsen and Frandsen (1983) cosmological test employing the observed correlation between elliptical galaxy surface brightness and scale size in order to avoid problems due to dynamical evolution is presently extended to make use of arbitrary galaxy samples. The explicit dependence on stellar evolution is also demonstrated. On the assumption that this evolution is calculable, an equation for the deceleration parameter entirely in terms of observables is derived. The test is applied to two available samples. 25 references.

1985-01-01

182

Steam generator PGV-1000 thermal-hydraulics  

International Nuclear Information System (INIS)

The main features are presented of a computer programme for 3-D thermohydraulic and thermodynamic analysis of the PGV-1000 horizontal steam generator used at the Temelin NPP. The programme provides analyses of primary side hydraulics, heat exchange behavior and the steam generator secondary side thermohydraulics and thermodynamics. Given are calculated data on the circulation flow rate, void fraction, heat transfer dynamics and the swelled level. (Z.S.) 9 figs.

1995-09-21

183

Radial distribution functions of liquid Na and Cs  

International Nuclear Information System (INIS)

Radial distribution functions of liquid sodium and caesium at 100"0C have been calculated by the method of molecular dynamics with interionic pair potentials derived from Heine-Abarenkov-Shaw type model potential. The results were found to be in good agreement with recent experimental data. (Auth.).

1978-01-01

184

IJMS | Section: Physical Chemistry, Theoretical and Computational Chemistry | Special Issue: Recent Advances in Molecular Electronics  

Wastenet

...Correction Discussion Editorial Letter Opinion Review Short Note Technical Note Special Issue all A Systematic Development Method for Rational Drug Design Advances in Molecular Electronic Structure Calculations Algorithms and Molecular Sciences Antimicrobial Agents Application of Density Functional Theory Applications of Density Functional Theory Applications of Molecular Dynamics Atoms in Molecules ...

185

Merged-beams energy-loss technique for electron-ion excitation: Absolute total cross sections for O"5"+(2s#->#2p)  

International Nuclear Information System (INIS)

A merged-beams electron-energy-loss technique is described, by which absolute cross sections can be measured for near-threshold electron-impact excitation of multipy charged ions. Results are reported here for absolute total electron-impact excitation cross sections for the O"5"+(2s#->#2p) transition from below threshold to 1.6 eV above threshold. The experimental data are in good agremeent with a seven-state close-coupling calculation throughout the energy range of the experiment. Results agree with calculations showing that more than 90% of the electrons causing excitation are ejected in the backward direction in the center-of-mass frame. This backscattering is shown in both quantum-mechanical and semiclassical calculations. Evidence is observed for high-lying metastable autoionizing states with a lifetime of approximately 0.9 #mu#s which are made to ionize by electron impact.

186

Science of quantum phase transitions and quantum criticalities  

International Nuclear Information System (INIS)

Apart from conventional phase transitions driven by the thermal effects, quantum phase transitions generated by quantum fluctuations have their own mechanisms that are reflected in critical phenomena. Quantum phase transitions have an origin from spontaneous symmetry breaking commonly to thermal phase transitions. Even in this case, inherent quantum fluctuations substantially modify and yield new aspects. Quantum phase transitions have, however, another mechanism caused by topology changes, which gives completely new characters. Recently, a mechanism which connects these two has been found. Proimities from first-order transitions and phase separatins as well as from multiphase coexistence also generate characteristic and unconventional quantum criticalities. Understanding novel quantum criticalities offers a firm basis of recent active ...

2011-02-01

187

Quantum Thermodynamic Cycles and quantum heat engines  

CERN Document Server

In order to describe quantum heat engines, here we systematically study isothermal and isochoric processes for quantum thermodynamic cycles. Based on these results the quantum versions of both the Carnot heat engine and the Otto heat engine are defined without ambiguities. We also study the properties of quantum Carnot and Otto heat engines in comparison with their classical counterparts. Relations and mappings between these two quantum heat engines are also investigated by considering their respective quantum thermodynamic processes. In addition, we discuss the role of Maxwell's demon in quantum thermodynamic cycles. We find that there is no violation of the second law, even in the existence of such a demon, when the demon is included correctly as part of the working substance of the heat engine.

2006-01-01

188

An apparatus for measuring the oil film thickness in dynamically loaded bearings  

Energy Technology Data Exchange (ETDEWEB)

An experimental apparatus has been built that allows direct measurement of the oil film thickness in a bearing that is subjected to dynamic loads and shaft speeds representative of those occurring in automotive engine connecting rod, big-end bearings. Dynamic motion of the shaft, relative to the bearing, is measured as a function of shaft rotational angle, using non-contact, eddy-current probes. A computer based data acquisition system is used to measure, record, and analyze the journal position in the bearing. The test bearing is 63.5 mm in diameter by 25.4 mm long, and is loaded using a servo-hydraulic actuator rated at 98.3 kN. The journal has an operating speed of 500 to 3800 rpm. The actuator is controlled by a computer-generated waveform that can duplicate load profiles developed by various engines operating at a wide range of conditions. Measurements taken with the shaft statically loaded show excellent agreement with results ...

1987-01-01

189

Quantum computing and probability  

Energy Technology Data Exchange (ETDEWEB)

Over the past two decades, quantum computing has become a popular and promising approach to trying to solve computationally difficult problems. Missing in many descriptions of quantum computing is just how probability enters into the process. Here, we discuss some simple examples of how uncertainty and probability enter, and how this and the ideas of quantum computing challenge our interpretations of quantum mechanics. It is found that this uncertainty can lead to intrinsic decoherence, and this raises challenges for error correction. (viewpoint)

2009-11-25

190

Quantum Afterburner Improving the Efficiency of an Ideal Heat Engine  

CERN Document Server

By using a laser and maser in tandem, it is possible to obtain laser action in the hot exhaust gases involved in heat engine operation. Such a "quantum afterburner" involves the internal quantum states of working gas atoms or molecules as well as the techniques of cavity quantum electrodynamics and is therefore in the domain of quantum thermodynamics. As an example, it is shown that Otto cycle engine performance can be improved beyond that of the "ideal" Otto heat engine.

2002-01-01

191

Research on optimizing pass schedule of tandem cold mill  

Energy Technology Data Exchange (ETDEWEB)

In this paper, research on pass schedule of tandem cold mill (TCM) is carried out. According to load (reduction, rolling force, motor power) balance, non-linear equations set with variables of inter-stand thickness is constructed. The pass schedule optimization is carried out by solving the non-linear equations set. As the traditional method, the Newton-Raphson method is used for solving the non-linear equations set. In this paper a new simple method is brought up. On basis of the monotone relations between thickness and load, the inter-stands thickness is adjusted dynamically. The solution of non-linear equations set can be converged by iterative calculation. This method can avoid the derivative calculation used by traditional method. So, this method is simple and calculation speed is high. It is suitable for on-line control. (author)

2000-07-01

192

Research on optimizing pass schedule of tandem cold mill  

International Nuclear Information System (INIS)

In this paper, research on pass schedule of tandem cold mill (TCM) is carried out. According to load (reduction, rolling force, motor power) balance, non-linear equations set with variables of inter-stand thickness is constructed. The pass schedule optimization is carried out by solving the non-linear equations set. As the traditional method, the Newton-Raphson method is used for solving the non-linear equations set. In this paper a new simple method is brought up. On basis of the monotone relations between thickness and load, the inter-stands thickness is adjusted dynamically. The solution of non-linear equations set can be converged by iterative calculation. This method can avoid the derivative calculation used by traditional method. So, this method is simple and calculation speed is high. It is suitable for on-line control. (author)

2000-08-20

193

Monte Carlo treatment planning for photon and electron beams  

British Library Electronic Table of Contents (United Kingdom)

During the last few decades, accuracy in photon and electron radiotherapy has increased substantially. This is partly due to enhanced linear accelerator technology, providing more flexibility in field definition (e.g. the usage of computer-controlled dynamic multileaf collimators), which led to intensity modulated radiotherapy (IMRT). Important improvements have also been made in the treatment planning process, more specifically in the dose calculations. Originally, dose calculations relied heavily on analytic, semi-analytic and empirical algorithms. The more accurate convolution/superposition codes use pre-calculated Monte Carlo dose "kernels" partly accounting for tissue density heterogeneities. It is generally recognized that the Monte Carlo method is able to increase accuracy even furt...

2007-01-01

194

Investigation of A_1_g phonons in YBa_2Cu_3O_7 by means of linearized-augmented-plane-wave atomic-force calculations  

International Nuclear Information System (INIS)

We report first-principles frozen-phonon calculations for the determination of the force-free geometry and the dynamical matrix of the five Raman-active A_1_g modes in YBa_2Cu_3O_7. To establish the shape of the phonon potentials atomic forces are calculated within the linearized-augmented-plane-wave method. Two different schemes emdash the local-density approximation (LDA) and a generalized gradient approximation (GGA)emdash are employed for the treatment of electronic exchange and correlation effects. We find that in the case of LDA the resulting phonon frequencies show a deviation from experimental values of approximately -10%. Invoking GGA the frequency values are significantly improved and also the eigenvectors are in very good agreement with experimental findings. copyright 1997 The American Physical Society.

195

pH and iodide ion effect on corrosion inhibition of histidine self-assembled monolayer on copper  

International Nuclear Information System (INIS)

Self-assembled monolayer (SAM) of histidine (His) was prepared on copper surface at various pH values. The effect of KI additives on corrosion protection efficiency of His SAM was also studied. The protection abilities of these films against copper corrosion in 0.5 M HCl aqueous solution were investigated using electrochemical impedance spectroscopy and polarization techniques. The results show that the film formed on the electrode is more stable at pH = 10 than that at other pH values. When the iodide ions were added into the His self-assembly solution (pH = 10), protection efficiency was further improved. The inhibition mechanism has been discussed by quantum chemical calculations.

2010-03-01

196

The ejected-electron spectra of manganese and samarium vapour atoms arising from autoionizing and Auger transitions following electron impact excitation  

International Nuclear Information System (INIS)

Autoionizing and Auger transitions in atomic manganese and samarium have been experimentally investigated by observation of the ejected electrons in the energy region 0 to 40 eV following electron impact excitation with incident beams in the energy range 15-500 eV. Seventy-four spectral features are tabulated for manganese and a number of new assignments have been made based on pseudo-relativistic Hartree-Fock calculations and quantum defect analysis. A similar study of samarium reveals only a number of broad features in the ejected-electron energy range 8-10 eV. Three features have been observed consistently in the ejected-electron spectrum of samarium and assigned by comparison with previous work. (author).

197

The Minimal Scale Invariant Extension of the Standard Model  

CERN Document Server

We perform a systematic analysis of an extension of the Standard Model that includes a complex singlet scalar field and is scale invariant at the tree level. We call such a model the Minimal Scale Invariant extension of the Standard Model (MSISM). The tree-level scale invariance of the model is explicitly broken by quantum corrections, which can trigger electroweak symmetry breaking and potentially provide a mechanism for solving the gauge hierarchy problem. Even though the scale invariant Standard Model is not a realistic scenario, the addition of a complex singlet scalar field may result in a perturbative and phenomenologically viable theory. We present a complete classification of the flat directions which may occur in the classical scalar potential of the MSISM. After calculating the one-loop effective potential of the MSISM, we investigate a number of representative scenarios and determine their scalar boson mass spectra, as well as their ...

2010-01-01

198

Renormalization of Lorentz non-invariant actions and manifest T-duality  

CERN Document Server

We study general two-dimensional sigma-models which do not possess manifest Lorentz invariance. We show how demanding that Lorentz invariance is recovered as an emergent on-shell symmetry constrains these sigma-models. The resulting actions have an underlying group-theoretic structure and resemble Poisson--Lie T-duality invariant actions. We consider the one-loop renormalization of these models and show that the quantum Lorentz anomaly is absent. We calculate the running of the couplings in general and show, with certain non-trivial examples, that this agrees with that of the T-dual models obtained classically from the duality invariant action. Hence, in these cases solving constraints before and after quantization are commuting operations.

2009-01-01

199

Propagators and Matrix Basis on Noncommutative Minkowski Space  

CERN Document Server

We describe an analytic continuation of the Euclidean Grosse-Wulkenhaar and LSZ models which defines a one-parameter family of duality covariant noncommutative field theories interpolating between Euclidean and Minkowski space versions of these models, and provides an alternative regularization to the usual Feynman prescription. This regularization allows for a matrix model representation of the field theories in terms of a complex generalization of the usual basis of Landau wavefunctions. The corresponding propagators are calculated and identified with the Feynman propagators of the field theories. The regulated quantum field theories are shown to be UV/IR-duality covariant. We study the asymptotics of the regularized propagators in position and matrix space representations, and confirm that they generically possess a comparably good decay behaviour as in the Euclidean case.

2011-01-01

200

On Finite Noncommutativity in Quantum Field Theory  

CERN Document Server

We consider various modifications of the Weyl-Moyal star-product, in order to obtain a finite range of nonlocality. The basic requirements are to preserve the commutation relations of the coordinates as well as the associativity of the new product. We show that a modification of the differential representation of the Weyl-Moyal star-product by an exponential function of derivatives will not lead to a finite range of nonlocality. We also modify the integral kernel of the star-product introducing a Gaussian damping, but find a nonassociative product which remains infinitely nonlocal. We are therefore led to propose that the Weyl-Moyal product should be modified by a cutoff like function, in order to remove the infinite nonlocality of the product. We provide such a product, but it appears that one has to abandon the possibility of analytic calculation with the new product.

2010-01-01

201

J/Psi dissociation in parity-odd bubbles  

CERN Document Server

We calculate the quarkonium dissociation rate in the P and CP-odd domains (bubbles) that were possibly created in heavy-ion collisions. In the presence of the magnetic field produced by the valence quarks of colliding ions, parity-odd domains generate electric field. Quarkonium dissociation is the result of quantum tunneling of quark or antiquark through the potential barrier in this electric field. The strength of the electric field in the quarkonium comoving frame depends on the quarkonium velocity with respect to the background magnetic field. We investigate momentum, electric field strength and azimuthal dependence of the dissociation rate. Azimuthal distribution of quarkonia surviving in the electromagnetic field is strongly anisotropic; the form of anisotropy depends on the relation between the electric and magnetic fields and quarkonium momentum. These features can be used to explore the properties of the electromagnetic field created in ...

2011-01-01

202

Fermion-fermion and boson-boson amplitudes: surprising similarities  

CERN Document Server

Amplitudes for fermion-fermion, boson-boson and fermion-boson interactions are calculated in the second order of perturbation theory in the Lobachevsky space. An essential ingredient of the model is the Weinberg's 2(2j+1)-component formalism for describing a particle of spin j. The boson-boson amplitude is then compared with the two-fermion amplitude obtained long ago by Skachkov on the basis of the Hamiltonian formulation of quantum field theory on the mass hyperboloid, p_0^2 - p^2=M^2, proposed by Kadyshevsky. The parametrization of the amplitudes by means of the momentum transfer in the Lobachevsky space leads to same spin structures in the expressions of T-matrices for the fermion case and the boson case. However, certain differences are found. Possible physical applications are discussed.

2007-01-01

203

Baxter Q-operator and Separation of Variables for the open SL(2,R) spin chain  

CERN Document Server

We construct the Baxter Q-operator and the representation of the Separated Variables (SoV) for the homogeneous open SL(2,R) spin chain. Applying the diagrammatical approach, we calculate Sklyanin's integration measure in the separated variables and obtain the solution to the spectral problem for the model in terms of the eigenvalues of the Q-operator. We show that the transition kernel to the SoV representation is factorized into the product of certain operators each depending on a single separated variable. As a consequence, it has a universal pyramid-like form that has been already observed for various quantum integrable models such as periodic Toda chain, closed SL(2,R) and SL(2,C) spin chains.

2003-01-01

204

Adaptive smearing for Brillouin zone integration  

British Library Electronic Table of Contents (United Kingdom)

Abstract We suggest a simple scheme for automatically determining the width parameter of smearing methods of the Brillouin zone integration in electronic structure calculation. The scheme retains one free parameter that at any time can be eliminated by choosing a denser k-space mesh until the desired accuracy is obtained. The tests are carried out in the context of Methfessel-Paxton smearing. This adaptive Gaussian smearing (AGS) is easily implemented, variational with respect to partial occupancies and free from spurious occupancies that are negative or larger than one. Its convergence properties are similar to those obtained with the modified tetrahedron method for energy resolution of -0.1 meV. 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011

2011-01-01

205

Preliminary studies of coolant by-pass flows in a prismatic very high temperature reactor using computational fluid dynamics  

Energy Technology Data Exchange (ETDEWEB)

Three dimensional computational fluid dynamic (CFD) calculations of a typical prismatic very high temperature gas-cooled reactor (VHTR) were conducted to investigate the influence of gap geometry on flow and temperature distributions in the reactor core using commercial CFD code FLUENT. Parametric calculations changing the gap width in a whole core length model of fuel and reflector columns were performed. The simulations show the effects of core by-pass flows in the heated core region by comparing results for several gap widths including zero gap width. The calculation results underline the importance of considering inter-column gap width for the evaluation of maximum fuel temperatures and temperature gradients in fuel blocks. In addition, it is shown that temperatures of core outlet flow from gaps and channels are strongly affected by the gap width of by-pass flow in the reactor core.

2009-09-01

206

Quantum computing for physics research  

Energy Technology Data Exchange (ETDEWEB)

Quantum computers hold great promises for the future of computation. In this paper, this new kind of computing device is presented, together with a short survey of the status of research in this field. The principal algorithms are introduced, with an emphasis on the applications of quantum computing to physics. Experimental implementations are also briefly discussed.

2006-04-01

207

Principles of quantum computing  

Energy Technology Data Exchange (ETDEWEB)

This contribution is intended to introduce the principles of quantum computing to those who always wanted to know about quantum computing but never dared to ask. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

2007-11-15

208

Dephasing of two electron states in a double quantum-dot system irradiated by a microwave field with a nearby Quantum Point Contact  

CERN Document Server

In this work we study the dephasing mechanism of a double quantum-dot system, which includes two electrons and a nearby quantum point contact (QPC) as a measurement device. We obtain that the QPC-induced decoherence is on time scales of microseconds. We also find that the electrons will be delocalized after continuous measurement, irrespectively of the initial conditions, and the frequent repeated measurements will localize the system, which is consistent with the quantum Zeno effect. Further, we consider the situation that the double quantum-dot system is irradiated by a microwave field.

2008-01-01

209

Correlations in Werner States  

International Nuclear Information System (INIS)

Werner states are paradigmatic examples of quantum states and play an innovative role in quantum information theory. In investigating the correlating capability of Werner states, we find the curious phenomenon that quantum correlations, as quantified by the entanglement of formation, may exceed the total correlations, as measured by the quantum mutual information. Consequently, though the entanglement of formation is so widely used in quantifying entanglement, it cannot be interpreted as a consistent measure of quantum correlations per se if we accept the folklore that total correlations are measured (or rather upper bounded) by the quantum mutual information.

2008-02-15

210

Type II Quantum Computing With Superconductors.  

Science.gov (United States)

The results of this research centered on the experimental studies of a single superconducting persistent current qubit, the implementation of type-II algorithms using these qubits, and the proposal for adiabatic quantum computing using these qubits. The m...

2004-01-01

211

The Generalized Quantization Schemes for Games and its Application to Quantum Information  

CERN Document Server

Theory of quantum games is relatively new to the literature and its applications to various areas of research are being explored. It is a novel interpretation of strategies and decisions in quantum domain. In the earlier work on quantum games considerable attention was given to the resolution of dilemmas present in corresponding classical games. Two separate quantum schemes were presented by Eisert et al. and Marinatto and Weber to resolve dilemmas in Prisoners' Dilemma and Battle of Sexes games respectively. However for the latter scheme it was argued that dilemma was not resolved. We have modified the quantization scheme of Marinatto and Weber to resolve the dilemma. We have developed a generalized quantization scheme for two person non-zero sum games which reduces to the existing schemes under certain conditions. Applications of this generalized quantization scheme to quantum ...

2010-01-01

212

Sandia National Labs: PCNSC: Departments: Semiconductor Material...  

Science.gov (United States)

For coupled quantum wires and dots, tunneling effects and coherent transport for quantum computing are being studied. In 2D systems, electron-hole bilayers for exciton...

2011-07-05

213

Quantum chromodynamics with advanced computing  

Energy Technology Data Exchange (ETDEWEB)

We survey results in lattice quantum chromodynamics from groups in the USQCD Collaboration. The main focus is on physics, but many aspects of the discussion are aimed at an audience of computational physicists.

2008-07-01

214

Physics of Quantum Well and Quantum Dot Infrared ...  

Science.gov (United States)

... In this paper we review the recent results concerning physical aspects of QWlP and QDIP operation focusing primarily on the electron transport ...

2000-06-23

215

On the spectroscopy of quantum dots in microcavities  

Energy Technology Data Exchange (ETDEWEB)

At the occasion of the OECS conference in Madrid, we give a succinct account of some recent predictions in the spectroscopy of a quantum dot in a microcavity that remain to be observed experimentally, sometimes within the reach of the current state of the art.

2010-02-01

216

Limitations of silicon devices for quantum computing  

Energy Technology Data Exchange (ETDEWEB)

There is considerable interest in the use of silicon devices as qubits for quantum computing. The existence of nuclear spin in a silicon isotope and the complex band structure of silicon are unfavourable for this application of silicon devices. (viewpoint)

2004-04-28

217

Electrically Tunable Terahertz Quantum-Cascade Lasers  

Science.gov (United States)

Improved quantum-cascade lasers. (QCLs) are being developed as electri- ... These devices would supplant gas lasers as far-infrared sources. ...

218

Comments on the Quantum Afterburner  

CERN Document Server

A process has been proposed to increase the efficiency of an ideal Otto cycle via a quantum heat engine that has no cooler reservoir. We show that such a process is not feasible.

2007-01-01

219

(Q-8) Quantum Tunneling  

Science.gov (United States)

Feb 13, 2005 ... Part 8 of a non-mathematical historical review of elementary quantum theory, to help explain processes in the Sun and in stars; part of an ...

220

Study on the characterization of the neutron radiography facility in HANARO for two-phase flow research  

Energy Technology Data Exchange (ETDEWEB)

For the application of dynamic neutron radiography to the two-phase flow research using HANARO, several experimental items to which the radiography technique is beneficial were identified through the review of the outputs from the related researches and the discussions with experts. Also, the investigation of the equipments including the beam port, camera and converter was made and a hardware and a software for image processing were equipped. It was confirmed that the calibration curve for the attenuation of neutron beam in fluid which is required for the two-phase flow experiment could be obtained by the computer code calculation. Based on the investigation results on the equipment and the results from the measurement of BNCT beam characteristics, a high speed camera and an image intensifier will be purchased. Then, the high speed dynamic neutron radiography facility for two-phase flow experiments will be fully equipped.

2001-01-01

221

Large-Scale Simulation of Beam Dynamics in High Intensity Ion Linacs Using Parallel Supercomputers  

CERN Document Server

In this paper we present results of using parallel supercomputers to simulate beam dynamics in next-generation high intensity ion linacs. Our approach uses a three-dimensional space charge calculation with six types of boundary conditions. The simulations use a hybrid approach involving transfer maps to treat externally applied fields (including rf cavities) and parallel particle-in-cell techniques to treat the space-charge fields. The large-scale simulation results presented here represent a three order of magnitude improvement in simulation capability, in terms of problem size and speed of execution, compared with typical two-dimensional serial simulations. Specific examples will be presented, including simulation of the spallation neutron source (SNS) linac and the Low Energy Demonstrator Accelerator (LEDA) beam halo experiment.

2000-01-01

222

Dynamic optimization of the benzene extractive distillation unit  

Scientific Electronic Library Online (English)

Abstract in english A mathematical model has been developed for describing the dynamic operation of the N-formylmorpholine extractive distillation column and the corresponding solvent recovery column in the benzene extraction plant. The NRTL equation was used to calculate the equilibrium and thermodynamic properties of the mixtures. The validity of the model in terms of temperature, pressure and split fraction was examined using actual plant data at steady-state conditions. Comparison betwee (more) n model results and plant data shows good consistency. In order to improve the control of the process and selection of the optimal control strategy, the model was used to find the optimum values of the constants of the controllers with Nelder-Mead algorithm during unsteady-state operation by minimizing the deviation from steady-state conditions. The outcome of this study could be used by operators and engineers to increase the productivity of the ...

2008-12-01

223

Dynamic control rod worth measurement of Yonggwang Unit 1 cycle 14  

Energy Technology Data Exchange (ETDEWEB)

A dynamic control rod worth measurement was performed for control bank D, C, B, and A of Yonggwang unit 1 cycle 14 during its low power physics test. MASTER was used for three-dimensional core kinetics calculations required to convert excore detector signal into static rod worth, using the same modeling and cross sections as ANC which was used for the core static design. A signal curve fitting method was proposed to solve a low signal problem due to large amount of rod worth, which leads to the distortion of resulting static worth. The static worths measured in this test well agreed with the predicted worth of design within {+-}15% which is a test requirement of rod worth measurement.

2002-05-01

224

Dynamic control rod worth measurement of Yonggwang Unit 1 cycle 14  

International Nuclear Information System (INIS)

A dynamic control rod worth measurement was performed for control bank D, C, B, and A of Yonggwang unit 1 cycle 14 during its low power physics test. MASTER was used for three-dimensional core kinetics calculations required to convert excore detector signal into static rod worth, using the same modeling and cross sections as ANC which was used for the core static design. A signal curve fitting method was proposed to solve a low signal problem due to large amount of rod worth, which leads to the distortion of resulting static worth. The static worths measured in this test well agreed with the predicted worth of design within #+-#15% which is a test requirement of rod worth measurement.

2002-05-01

225

Dissipative dynamics of circuit-QED in the mesoscopic regime  

CERN Document Server

We investigate the behavior of a circuit QED device when the resonator is initially populated with a mesoscopic coherent field. The strong coupling between the cavity and the qubit produces an entangled state involving mesoscopic quasi-pointer states with respect to cavity dissipation. The overlap of the associated field components results in collapse and revivals for the Rabi oscillation. Although qubit relaxation and dephasing do not preserve these states, a simple analytical description of the dissipative dynamics of the circuit QED device including cavity relaxation as well as qubit dissipation is obtained from the Monte-Carlo approach. Explicit predictions for the spontaneous and induced Rabi oscillation signals are derived and sucessfully compared with exact calculations. We show that these interesting effects could be observed with a 10 photon field in forthcoming circuit QED experiments.

2007-01-01

226

A Novel Approach for Complete Identification of Dynamic Fractional Order Systems Using Stochastic Optimization Algorithms and Fractional Calculus  

CERN Document Server

This contribution deals with identification of fractional-order dynamical systems. System identification, which refers to estimation of process parameters, is a necessity in control theory. Real processes are usually of fractional order as opposed to the ideal integral order models. A simple and elegant scheme of estimating the parameters for such a fractional order process is proposed. This method employs fractional calculus theory to find equations relating the parameters that are to be estimated, and then estimates the process parameters after solving the simultaneous equations. The said simultaneous equations are generated and updated using particle swarm optimization (PSO) technique, the fitness function being the sum of squared deviations from the actual set of observations. The data used for the calculations are intentionally corrupted to simulate real-life conditions. Results show that the proposed scheme offers a very high degree of ...

2008-01-01

227

Superconducting gravity gradiometer for sensitive gravity measurements. I. Theory  

Energy Technology Data Exchange (ETDEWEB)

Because of the equivalence principle, a global measurement is necessary to distinguish gravity from acceleration of the reference frame. A gravity gradiometer is therefore an essential instrument needed for precision tests of gravity laws and for applications in gravity survey and inertial navigation. Superconductivity and SQUID (superconducting quantum interference device) technology can be used to obtain a gravity gradiometer with very high sensitivity and stability. A superconducting gravity gradiometer has been developed for a null test of the gravitational inverse-square law and space-borne geodesy. Here we present a complete theoretical model of this instrument. Starting from dynamical equations for the device, we derive transfer functions, a common mode rejection characteristic, and an error model of the superconducting instrument. Since a gradiometer must detect a very weak differential gravity signal in the midst of large platform ...

1987-06-15

228

Rhodopsin photochemistry is vibrationally coherent  

Energy Technology Data Exchange (ETDEWEB)

Visual excitation is initiated by the absorption of a photon by the 11-cis retinal chromophore bound within the pigment called rhodopsin. We have used a variety of vibrational spectroscopies to obtain information about the vibrational nuclear dynamics that lead to this efficient photochemical isomerization. The cis-trans isomerization in rhodopsin is complete in only 200 fs. The extreme speed of this process, which is consistent with the {approximately}50 fs lifetime indicated by the spontaneous emission yield, suggests that the photochemistry involves non-stationary states or vibrational coherence. Recent studies have in fact observed vibrationally coherent oscillations of the ground state photoproduct called bathorhodopsin following impulsive excitation of the rhodopsin reactant. This conclusively demonstrates that the isomerization process in rhodopsin is vibrationally coherent. These observations further suggest that the isomerization ...

1995-12-31

229

One-loop Higgs boson production at the Linear Collider within the general two-Higgs-doublet model: e+e- versus gamma-gamma  

CERN Document Server

We present an updated overview on the phenomenology of one-loop Higgs boson production at Linear Colliders within the general Two-Higgs-Doublet Model (2HDM). First we report on the Higgs boson pair production, and associated Higgs-Z boson production, at O(alpha^3_{ew}) from e+e- collisions. These channels furnish cross-sections in the range of 10-100 fb for Ecm=0.5 TeV and exhibit potentially large radiative corrections (of order 50%), whose origin can be traced back to the genuine enhancement capabilities of the triple Higgs boson self-interactions. Next we consider the loop-induced production of a single Higgs boson from direct gamma-gamma scattering. We single out sizable departures from the corresponding rates in the Standard Model, which are again correlated to trademark dynamical features of the 2HDM -- namely the balance of the non-standard Higgs/gauge, Higgs/fermion and Higgs self-interactions leading to sizable (destructive) interference effects. This ...

2011-01-01

230

Investigations of biomimetic light energy harvesting pigments  

Energy Technology Data Exchange (ETDEWEB)

This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). Nature uses chlorophyll and other porphyrinic pigments to capture and transfer light energy as a preliminary step in photosynthesis. The design of synthetic assemblies of light harvesting and energy directing pigments has been explored through synthesis and characterization of porphyrin oligomers. In this project, pigment electronic and vibrational structures have been explored by electrochemistry and dynamic and static optical measurements. Transient absorption data reveal energy transfer between pigments with lifetimes on the order of 20--200 picoseconds, while Raman data reveal that the basic porphyrin core structure is unperturbed relative to the individual monomer units. These two findings, along with an extensive series of experiments on the oxidized oligomers, reveal that coupling between the pigments is ...

1998-12-01

231

High field ESR of P-doped Si for Quantum Computing Application  

Energy Technology Data Exchange (ETDEWEB)

We measured ESR of phosphorous-doped silicon with a low concentration of P, n, at high magnetic fields and low temperatures to investigate the states of nuclear spin. A sample with n = 6.52 x 10{sup 16} /cm{sup 3} was studied at 2.85 T (80 GHz) from 30 K to 2.3 K by field-modulating cw-ESR for a fixed 0 dB power. As the temperature was lowered, the out-of-phase signal appeared around 18 K, reached at a maximum intensity at 13 K, and disappeared around 6 K. The out-of-phase signal is referred to the field modulation. The in-phase signal started to change from the derivative of absorption spectrum at high temperatures to absorption-like shape around 15 K and asymmetry of intensity for two peaks of hyperfine-separated signals increased as temperatures was lowered. Below 10 K, the saturation of the in-phase signal started to appear. We speculate that the asymmetry is caused by saturation effect and dynamic nuclear polarization of {sup 31}P nuclear spin due to drastic ...

2009-02-01

232

Change of the mass of an accelerated charge as a dynamic manifestation of the clock paradox  

Energy Technology Data Exchange (ETDEWEB)

Mass shift of accelerated charges-sources of a massive vector and massive scalar fields, are considered in an approximation which is classical with respect to the charge motion but quantum with respect to their interaction with their proper field. For uniformly accelerated charges the mass shifts are expressed in terms of cylindrical functions of the quantum parameter ..mu..c/sup 3//h/2..pi..w/sub 0/ which is the ratio of the mass ..mu.. of the proper field quanta to the charge acceleration w/sub 0/. For finite positive values of the parameter both the imaginary and real parts of the shifts are nonvanishing and negative. For ..mu -->..0 the real part of the mass shift of a vector charge tends to the classical value -..cap alpha..h/2..pi..w/sub 0//2c/sup 3/ obtained earlier, thereas that of the scalar charge tends to zero. These and other properties of the shifts as functions of ..mu.. are studied by taking into account the locality of ...

1982-05-01

233

Feynman-like Rules for Calculating n-Point Correlators of the Primordial Curvature Perturbation  

CERN Document Server

A diagrammatic approach to calculate n-point correlators of the primordial curvature perturbation \\zeta was developed a few years ago following the spirit of the Feynman rules in Quantum Field Theory. The methodology is very useful and time-saving, as it is for the case of the Feynman rules in the particle physics context, but, unfortunately, is not very well known by the cosmology community. In the present work, we extend such an approach in order to include not only scalar field perturbations as the generators of \\zeta, but also vector field perturbations. The purpose is twofold: first, we would like the diagrammatic approach (which we would call the Feynman-like rules) to become widespread among the cosmology community; second, we intend to give an easy tool to formulate any correlator of \\zeta for those cases that involve vector field perturbations and that, therefore, may generate prolonged stages of anisotropic expansion and/or ...

2011-01-01

234

Studies on formation and structures of ultrafine Cu precipitates in Fe-Cu model alloys for reactor pressure vessel steels using positron quantum dot confinement in the precipitates by their positron affinity. JAERI's nuclear research promotion program, H11-034 (Contract research)  

Energy Technology Data Exchange (ETDEWEB)

Positron annihilation experiments on Fe-Cu model dilute alloys of nuclear reactor pressure vessel (RPV) steels have been performed after neutron irradiation in JMTR. Nanovoids whose inner surfaces were covered by Cu atoms were clearly observed. The nanovoids transformed to ultrafine Cu precipitates by dissociating their vacancies after annealing at around 400degC. The nanovoids and the ultrafine Cu precipitates are strongly suggested to be responsible for irradiation-induced embrittlement of RPV steels. Effects of Ni, Mn and P addition on the nanovoid and Cu precipitate formations were also studied. The nanovoid formation was enhanced by Ni and P, but suppressed by Mn. The Cu precipitates after annealing around 400degC were almost free from these doping elements and hence were pure Cu in the chemical composition. Furthermore the Fermi surface of the 'embedded' Cu precipitates with a body centered cubic crystal structure was obtained from two dimensional angular ...

2003-03-01

235

Hybrid functionals and their application to small molecules and solids  

International Nuclear Information System (INIS)

Full text: Hybrid functionals, containing a fraction of the exact exchange, allow for a rather accurate treatment of e.g. small molecules and band gaps in bulk materials. A plane-wave based algorithm was implemented in VASP (Vienna Ab-initio Simulation Package) to accomplish the calculation of the exact exchange. Two functionals including exact exchange are presently available, i.e. the PBE0 (Perdew-BurKEX-Ernzerhof) and the HSE (Heyd-Scuseria-Ernzerhof). A rigorous assessment of the implementation was performed by geometry optimization and calculation of the atomization energies of the G2-1 quantum chemical test set, containing 55 molecules. Excellent agreement compared to corresponding Gaussian 03 data and good agreement with experiment was achieved. The mean absolute error (theory related to experiment) for the atomization energies calculated with the PBE and the PBE0 is 8.6 and 3.7 kcal/mol, ...

2005-09-27

236

On the glueball spectrum in O(a)-improved lattice QCD  

CERN Document Server

We calculate the light `glueball' mass spectrum in N_f=2 lattice QCD using a fermion action that is non--perturbatively O(a) improved. We work at lattice spacings a~0.1 fm and with quark masses that range down to about half the strange quark mass. We find the statistical errors to be moderate and under control on relatively small ensembles. We compare our mass spectrum to that of quenched QCD at the same value of a. Whilst the tensor mass is the same (within errors), the scalar mass is significantly lighter in the dynamical lattice theory, by a factor of ~0.84 +/- 0.03. We discuss what the observed m_q dependence of this suppression tells us about the dynamics of glueballs in QCD. We also calculate the masses of flux tubes that wind around the spatial torus, and extract the string tension from these. As we decrease the quark mass we see a small but growing vacuum expectation value for the corresponding ...

2002-01-01

237

Effects of morpho dynamics in shallow waters over pipeline facilities; Efeitos da morfodinamica em aguas rasas sobre instalacoes de dutos  

Energy Technology Data Exchange (ETDEWEB)

The success in developing of the oil industry operating in offshore-onshore terminals, connected by pipelines with the facilities of the coastal zone, can be attributed partially to the beach morpho dynamic monitoring. This study represents a solution to the concerns of the technical operations in coastal zones because it minimizes the impact of the petroleum production and it assures the environmental protection associated to the risks of the pipelines breaking. This impact type results mainly of the vertical and horizontal displacements of the beach, from the coastal dunes to the shore face. The mobility of the profile is associated to the magnitude of the sedimentary processes, which reproduce naturally or not, in scale of time that can vary among few days, years or decades. For the monitoring and interpretation of the beach profile mobility the following methods are recommended: calculation of the closure depth with base in the wave data; ...

2003-07-01

238

Analytical model for the dynamic resistivity of electrically-exploded conductors  

Science.gov (United States)

A detailed model for the dynamic resistivity of an exploding conductor presents many difficulties. An electrically-exploded conductor undergoes significant hydrodynamic expansion as it is heated. Resistivity is a function of both the temperature and density of a conductor and realistic models for resistivity over the range of parameter space experienced by an exploding conductor are quite complex. See for example, the model of Lee and More (1984). Calculation of the hydrodynamic expansion of the conductor during and subsequent to the explosion is likewise dependent on detailed knowledge of the equation of state for the conductor in a range where few experimental data exist. A further complication is the strong magnetic field which couples the hydrodynamic expansion to the currents flowing in the expanding material. In spite of the difficulties, progress is being made on detailed modeling of fuses and exploding conductors (Lidemuth and ...

1986-10-10

239

New methods for electronic structure calculations  

Energy Technology Data Exchange (ETDEWEB)

This thesis consists of five chapters, each of which is a self-contained unit. The first chapter overviews methods for electronic-structure calculations. Chapter 2 introduces a new method to generate a rapidly converging configuration expansion. The approach iteratively combines (1) a least-squares fitting of a configuration expansion to a many-body wave function with (2) a transfer-matrix method for projecting out the ground state. Results are shown to be equivalent to multiconfiguration Hartree-Fock. Results from test calculations are given for a simple finite difference model of the helium atom. In Chapter 3 the use of the finite-element method in electronic structure calculations is discussed. Chapters 4 and 5 discuss developments in Monte Carlo methods based on Hubbard-Stratonovich transformations. Chapter 4 introduces a canonical ensemble formulation of the method, which is more appropriate than the usual grand ...

1988-01-01

240

The Quantum Information Revolution: 101 Uses for Schroedingers Cat  

ScienceCinema

...exactly five years ago that english poet ? laws ...

241

Recovering quantum graphs from their Bloch spectrum  

CERN Document Server

We define the Bloch spectrum of a quantum graph to be the collection of the spectra of a family of Schr\\"odinger operators parametrized by the cohomology of the quantum graph. We show that the Bloch spectrum determines the Albanese torus, the block structure and the planarity of the graph. It determines a geometric dual of a planar graph. This enables us to show that the Bloch spectrum completely determines planar 3-connected quantum graphs.

2011-01-01

242
243

Quantum locking of mirrors in interferometric measurements  

International Nuclear Information System (INIS)

We discuss the use of active control to reduce mirror position fluctuations at the quantum level. We have shown in a recent experiment that it is possible to reduce the thermal noise of a mirror by measuring and controlling its motion with an optomechanical sensor based on a high-finesse optical cavity. This approach can be extended to lock the mirror motion at the quantum level, and to suppress the quantum effects of radiation pressure in interferometric measurements such as gravitational-wave detectors. The sensitivity improvement is furthermore independent of losses in the interferometer.

2004-03-07

244

Quantum information approach to the ultimatum game  

CERN Document Server

The paper is devoted to quantization of extensive games with the use of both the Marinatto-Weber and the Eisert-Wilkens-Lewenstein concept of quantum game. We revise the current conception of quantum ultimatum game and we show why the proposal is unacceptable. To support our comment, we present the new idea of the quantum ultimatum game. Our scheme also makes a point of departure for a protocol to quantize extensive games.

2011-01-01

246

Massive parallel generation of indistinguishable single photons via the polaritonic superfluid to Mott-insulator quantum phase transition  

International Nuclear Information System (INIS)

We study the possibility of utilizing the superfluid to Mott-insulator quantum phase transition in an array of quantum well exciton-polariton traps to generate indistinguishable single photons in a massive parallel fashion. By means of analytical and numerical methods, the device operations and system properties are examined using realistic experimental parameters. Such a deterministic, massive parallel generation may find new applications in photonic quantum information processing.

2010-12-01

247

Luminescence of guest - host type organic nanostructures  

International Nuclear Information System (INIS)

... Abstract only 1063-7869 v. 44(10) CLASSICAL AND QUANTUM MECHANICS,

2001-10-31

249

Choice and meaning in the quantum universe  

Energy Technology Data Exchange (ETDEWEB)

This report discusses whether the events that occur in the universe evolve deterministicly or randomly or both. (LSP).

1992-05-22

250

A magneto-electric quantum wheel  

CERN Document Server

Here we show that self-propulsion in quantum vacuum may be achieved by rotating or aggregating magneto-electric nano-particles. The back-action follows from changes in momentum of electro-magnetic zero-point fluctuations, generated in magneto-electric materials. This effect may provide new tools for investigation of the quantum nature of our world. It might also serve in the future as a "quantum wheel" to correct satellite orientation in space.

2009-01-01

251

NEX - Analysis of ENSO Dynamics and ThermoDynamics in the ... - NASA  

Science.gov (United States)

Analysis of ENSO Dynamics and ThermoDynamics in the Western Pacific Warm Pool - An Application of Multi-Sensor Satellite Observations. ...

252

Molecular orbitals of nucleons in nucleus-nucleus collisions  

International Nuclear Information System (INIS)

A formalism for the dynamical treatment of the molecular orbitals of valence nucleons in nucleus-nucleus collisions is developed with the use of the coupled-reaction-channel (CRC) method. The Coriolis coupling effects as well as the finite mass effects of the nucleon are taken into account in this model, of rotating molecular orbitals, RMO. First, the validity of the concept is examined from the viewpoint of the multi-step processes in a standard CRC calculation for systems containing two identical [core] nuclei. The calculations show strong CRC effects particularly in the case where the mixing of different l-parity orbitals - called hybridization in atomic physics - occurs. Then, the RMO representation for active nucleons is applied to the same systems and compared to the CRC results. Its validity is investigated with respect to the radial motion (adiabaticity) and the rotation of the molecular axis (radial and rotational ...

253

Void fraction distribution measurement in two-phase flow by real-time neutron radiography and real-time image processing  

International Nuclear Information System (INIS)

A real-time two-dimensional void fraction distribution measurement of gas-liquid two-phase flow was carried out by real-time neutron radiography and real-time image processing. The JRR-3M real-time thermal neutron radiography system and a Musashi dynamic image processing system were used. Image processing methods to calculate two-dimensional and cross-sectional void fraction distributions were proposed. The void fraction distribution was calculated by non-linear processing of the neutron radiography image and displayed by pseudo-color in real-time. A simple gas-liquid two-phase flow induced by injecting gas through needles at the bottom of water pool in a rectangular vessel was tested. (orig.).

1996-07-01

254

Determination of critical length for pipe whip design  

Energy Technology Data Exchange (ETDEWEB)

Design of pipe whip restraints requires a knowledge of the maximum allowable unsupported pipe length. This paper presents a numerical method for calculating this critical length of the pipe. Salient features of the method are: (1) as a flow rounds an elbow, it exerts a transverse kick and an axial thrust to the pipe, both the axial thrust and the bending moment are considered; (2) the jet force is applied in an abrupt manner, the dynamic amplification factor (DAF) is determined from the load-deflection (H-{Delta}) curve of the pipe, by taking into consideration large strain, large deformation and the nonlinear stress-strain relationship of the piping material; (3) the ultimate capacity of the pipe under the combined action of an axial force and a bending moment is governed by an interaction formula. The maximum unsupported pipe length is calculated from this formula. Only the formulas and derivation are presented. Numerical ...

1995-11-01

255

Adsorption Kinetics of Surfactants at Fluid-Fluid Interfaces  

CERN Document Server

We review a new theoretical approach to the kinetics of surfactant adsorption at fluid-fluid interfaces. It yields a more complete description of the kinetics both in the aqueous solution and at the interface, deriving all equations from a free-energy functional. It also provides a general method to calculate dynamic surface tensions. For non-ionic surfactants the results coincide with previous models. Common non-ionic surfactants are shown to undergo diffusion-limited adsorption, in agreement with experiments. Strong electrostatic interactions in salt-free ionic surfactant solutions are found to lead to kinetically limited adsorption. In this case the theory accounts for unusual experimental results which could not be understood using previous approaches. Added salt screens the electrostatic interactions and makes the ionic surfactant adsorption similar to the non-ionic case. The departure from the non-ionic behavior as the salt concentration ...

1997-01-01

256

Absolute values of three neutrino masses from atmospheric mixing and an ansatz for the mixing-matrix elements  

CERN Document Server

Using data from atmospheric neutrino mixing, and a simple functional form for mixing angles, the absolute values of three neutrino masses are calculated: $m_3\\cong 5.37\\times 10^{-2} eV$, $m_2\\cong 1.94\\times 10^{-2} eV$, $m_1\\cong 1.46\\times 10^{-2} eV$. The quantities relevant for solar neutrino mixing are calculated: $(m_2^2-m_1^2) \\cong 1.63\\times 10^{-4} eV^2$, with non-maximal mixing $\\tan^2\\theta_\\sol \\cong 0.56$. The analysis gives a suggestion of a dynamical origin for the empirical, large CP-violating phase associated with an intrinsically, very small mixing angle in the quark sector.

2003-01-01

257

Toward a predictive atomistic model of ion implantation and dopant diffusion in silicon  

Energy Technology Data Exchange (ETDEWEB)

We review the development and application of kinetic Monte Carlo simulations to investigate defect and dopant diffusion in ion implanted silicon. In these type of Monte Carlo models, defects and dopants are treated at the atomic scale, and move according to reaction rates given as input principles. These input parameters can be obtained from first principles calculations and/or empirical molecular dynamics simulations, or can be extracted from fits to experimental data. Time and length scales differing several orders of magnitude can be followed with this method, allowing for direct comparison with experiments. The different approaches are explained and some results presented.

1998-09-18

258

Risk assessment for the SNR-300 reactor. Earthquake hazard emanating from reactor component failure  

International Nuclear Information System (INIS)

The risk analysis was carried out in consideration of conditions prevailing at the Kalkar site analogous to the investigations in phase A of DRS (German Reactor Study). Earthquake design loads include the probabilities of upper deviations of the site intensities to be expected. The calculations of dynamic loads for select buildings are made using models and computational methods. Component analyses were performed analogous to DRS for the supports of large components, supports of the roof construction of the reactor building taking into account support reserves due to plastic work capacity, wall disks in steam generator buildings and switchboard plant buildings. (DG).

259

Radiation doses from flying through nuclear-debris clouds. Final report, 2-10 January 1985  

Energy Technology Data Exchange (ETDEWEB)

Taboada et al. have recently developed a computer model to predict gamma radiation doses to aircrews flying through nuclear-debris clouds. Although the model has the advantages of taking a large number of parameters into account and using the benchmark DELFIC code to model cloud dynamics, it takes up to 20 min for a single run on a mainframe computer. Results from a number of runs have been generalized into empirical formulae. From these results it is possible to estimate worst case gamma radiation doses for complex scenarios using a hand calculator.

1986-04-01

260

PARALLEL 3-D SPACE CHARGE CALCULATIONS IN THE UNIFIED ACCELERATOR LIBRARY.  

Energy Technology Data Exchange (ETDEWEB)

The paper presents the integration of the SIMBAD space charge module in the UAL framework. SIMBAD is a Particle-in-Cell (PIC) code. Its 3-D Parallel approach features an optimized load balancing scheme based on a genetic algorithm. The UAL framework enhances the SIMBAD standalone version with the interactive ROOT-based analysis environment and an open catalog of accelerator algorithms. The composite package addresses complex high intensity beam dynamics and has been developed as part of the FAIR SIS 100 project.

2006-06-26

261

Modeling of feed water check valves using RELAP5; Modellierung von Speisewasserrueckschlagventilen in RELAP5  

Energy Technology Data Exchange (ETDEWEB)

Westinghouse Electric Germany GmbH has developed fluid dynamic models for medium-actuated armatures using the thermal hydraulic code RELAP5 in order to reach a more realistic description of the armature behavior including fluid-structure interactions in case of transient flow conditions in piping systems. The contribution is concerned with the modeling of damped check valves. The model allows the description of the behavior during opening and closure of a check armature. The calculated results show good agreement with the available measured data.

2009-07-01

262

Experimental and analytical studies of four-inch pipe whip tests under PWR LOCA conditions  

Energy Technology Data Exchange (ETDEWEB)

In the tests, the effects of the overhang length on the pipe whip behavior of the pipe-restraints system were studied by measuring the strains and deformations of the test pipe and restraints, and the restraints forces. The equation for predicting the maximum strain at the outer surface of the pipe was derived using a static equilibrium condition. The calculated maximum strains at the outer surface of the pipe agree fairly well with experimental data. The dynamic response analysis of the pipe-restraints system was conducted by the finite element program ADINA. The applicability of the ADINA program to the pipe whip analysis is made clear through this analysis.

1984-01-01

263

Drop freezing on a substrate  

Energy Technology Data Exchange (ETDEWEB)

The freezing of liquid in the form of a granule on a cooled substrate is considered. On the basis of a hypothesis regarding the form of the isotherms in the granule, an analytical solution of the Stefan problem is obtained for two limiting cases: when a/sub d/ >> a/sub s/ and a/sub d/ << a/sub s/, where a/sub s/ and a/sub d/ are the thermal conductivity of the substrate and drop, respectively. The results of calculating the crystallization times of the granules as a function of their dimensions (height and diameter) and the substrate temperature, and also the dynamics of temperature variation at the base of the granule in the course of crystallization, are in good agreement with the experimental data.

1988-07-01

264

Closed string tachyons and their implications for non-supersymmetric strings  

Energy Technology Data Exchange (ETDEWEB)

Closed string tachyons have long been somewhat mysterious. We note that there is often a regime in the classical moduli space in which one can systematically compute the effective action for such fields. In this regime, the tachyon is light, and cannot be integrated out. Instead, one must consider the combined dynamics of gravitons, moduli, tachyons and other light fields. We compute the action and find that the quartic term for the tachyon is positive in the field definition where the tachyon has no derivative coupling to the radion. We study the evolution of isotropic, homogeneous configurations and find that typically the system is driven to regions where the calculation is no longer under control. (author)

2004-07-01

265

A thermal hydraulic investigation on ADSR liquid lead target  

Energy Technology Data Exchange (ETDEWEB)

Computational fluid dynamics(CFD) code FLUENT was used to simulate the thermal hydraulic processes occurring in conceptual design of the accelerator-driven subcritical reactor(ADSR) liquid lead target. The purpose of the analysis is to investigate the thermal hydraulic characteristics of liquid lead as ADSR target material with various target geometries and injection locations of proton beam. In the calculation analysis, the local temperature of the liquid lead target rises to the boiling temperature very rapidly. When the proton beam is injected from the bottom of the target system, the duration time to reach the boiling temperature is longer and the temperature distribution is flatter than other cases.

1998-05-01

266

Quantum Teleportation with Continuous Variables: a survey  

CERN Document Server

Very recently we have assisted to a new development of quantum information, the so-called continuous variable (CV) quantum information theory. Such a further development has been mainly due to the experimental and theoretical advantages offered by CV systems, i.e., quantum systems described by a set of observables, like position and momentum, which have a continuous spectrum of eigenvalues. According to this novel trend, quantum information protocols like quantum teleportation have been suitably extended to the CV framework. Here, we briefly review some mathematical tools relative to CV systems and we consequently develop the concepts of quantum entanglement and teleportation in the CV framework, by analogy with the qubit-based approach. Some connections between teleportation fidelity and entanglement properties of the underlying quantum ...

2006-01-01

267

The use of dynamic adaptive chemistry in combustion simulation of gasoline surrogate fuels  

Energy Technology Data Exchange (ETDEWEB)

A computationally efficient dynamic adaptive chemistry (DAC) scheme is described that permits on-the-fly mechanism reduction during reactive flow calculations. The scheme reduces a globally valid full mechanism to a locally, instantaneously applicable smaller mechanism. Previously we demonstrated its applicability to homogeneous charge compression ignition (HCCI) problems with n-heptane [L. Liang, J.G. Stevens, J.T. Farrell, Proc. Combust. Inst. 32 (2009) 527-534]. In this work we demonstrate the broader utility of the DAC scheme through the simulation of HCCI and shock tube ignition delay times (IDT) for three gasoline surrogates, including two- and three-component blends of primary reference fuels (PRF) and toluene reference fuels (TRF). Both a detailed 1099-species mechanism and a skeletal 150-species mechanism are investigated as the full mechanism to explore the impact of fuel complexity on the DAC scheme. For all conditions studied, ...

2009-07-15

268

Quantum-dot computing  

Energy Technology Data Exchange (ETDEWEB)

A quantum computer would put the latest PC to shame. Not only would such a device be faster than a conventional computer, but by exploiting the quantum-mechanical principle of superposition it could change the way we think about information processing. However, two key goals need to be met before a quantum computer becomes reality. The first is to be able to control the state of a single quantum bit (or 'qubit') and the second is to build a two-qubit gate that can produce 'entanglement' between the qubit states. (U.K.)

2003-10-01

269

Quantum Darwinism in quantum Brownian motion: the vacuum as a witness  

CERN Document Server

We study quantum Darwinism -- the redundant recording of information about a decohering system by its environment -- in zero-temperature quantum Brownian motion. An initially nonlocal quantum state leaves a record whose redundancy increases rapidly with its spatial extent. Significant delocalization (e.g., a Schroedinger's Cat state) causes high redundancy: many observers can measure the system's position without perturbing it. This explains the objective (i.e. classical) existence of einselected, decoherence-resistant pointer states of macroscopic objects.

2007-01-01

270

Programmed Assembly of Quantum-Dot Arrays on DNA Templates: Hardware for Quantum Computing?  

Energy Technology Data Exchange (ETDEWEB)

This paper reports progress in the fabrication and characterization of an array of 1nm-scale colloidal particles (i.e., quantum-dot array) that can be operated to execute nontrivial and innovative computations, possibly including quantum logic. We discuss the actual fabrication of 2-nm metal clusters as an example of possible quantum dot implementation. Innovative and unconventional paradigms underlie the different stages of this work. For example, regular array geometry is achieved by directing appropriately derivatized metal clusters to preselected locations along a stretched strand of an engineered DNA sequence.

2001-03-23

271

Dirac Fields in Loop Quantum Gravity and Big Bang Nucleosynthesis  

CERN Document Server

Big Bang nucleosynthesis requires a fine balance between equations of state for photons and relativistic fermions. Several corrections to equation of state parameters arise from classical and quantum physics, which are derived here from a canonical perspective. In particular, loop quantum gravity allows one to compute quantum gravity corrections for Maxwell and Dirac fields. Although the classical actions are very different, quantum corrections to the equation of state are remarkably similar. To lowest order, these corrections take the form of an overall expansion-dependent multiplicative factor in the total density. We use these results, along with the predictions of Big Bang nucleosynthesis, to place bounds on these corrections.

2007-01-01

272

Computing the distance between quantum channels: usefulness of the Fano representation  

Energy Technology Data Exchange (ETDEWEB)

The diamond norm measures the distance between two quantum channels. From an operational viewpoint, this norm measures how well we can distinguish between two channels by applying them to the input states of arbitrarily large dimensions. In this paper, we show that the diamond norm can be conveniently, and in a physically transparent way, computed by means of a Monte Carlo algorithm based on the Fano representation of quantum states and quantum operations. The effectiveness of this algorithm is illustrated for several single-qubit quantum channels.

2010-11-14

273

Centre for Quantum Computation & Communication Technology  

Science.gov (United States)

This is the homepage of "an Australian multi-university collaboration undertaking research on the fundamental physics and technology of building, at the atomic level, a solid state quantum computer in silicon together with other high potential implementations." Although attempts to develop a quantum computer have met with limited success, the centre has substantial resources invested in advancing toward practical uses of quantum computing technology. The site provides a very good introduction to the principles and implications of quantum computing, as well as details about various research projects underway at the Australian universities. Links to conference and journal papers produced by members of the centre, many from 2003, are also provided.

274

Quantum-chemical simulation of 1H NMR spectra. 2. Comparison of DFT-based procedures for computing proton-proton coupling constants in organic molecules.  

Science.gov (United States)

The performance of 250 different computational protocols (combinations of density functionals, basis sets and methods) was assessed on a set of 165 well-established experimental (1)H-(1)H nuclear coupling constants (J(H-H)) from 65 molecules spanning a wide range of "chemical space". Thereby we found that, if one uses core-augmented basis sets and allows for linear scaling of the raw results, calculations of only the Fermi contact term yield more accurate predictions than calculations where all four terms that contribute to J(H-H) are evaluated. It turns out that B3LYP/6-31G(d,p)u+1s is the best (and, in addition, one of the most economical) of all tested methods, yielding predictions of J(H-H) with a root-mean-square deviation from experiment of less than 0.5 Hz for our test set. Another method that does similarly well, without the need for additional 1s basis functions, is B3LYP/cc-pVTZ, which is, however, ca. 8 times more "expensive" in ...

2011-05-16

275

Assessment of the impact of the greenhouse gas emission and sink scenarios in Finland on radiative forcing and greenhouse effect  

Energy Technology Data Exchange (ETDEWEB)

The objective of this work is to study greenhouse gas emissions and sinks and their greenhouse impact as a function of time. The greenhouse impact is expressed in terms of global average radiative forcing, which measures the perturbation in the Earth`s radiation budget. Radiative forcing is calculated on the basis of the concentration changes of the greenhouse gases and the radiation absorption properties of the gases. It takes into account the relatively slow changes in the concentrations due to natural removal and transformation processes and also allows a comparison of the impact of various greenhouse gases and their possible control options as a function of time. In addition to the applications mentioned above, the anthropogenic greenhouse gas emission histories of Nordic countries have been estimated, and the radiative forcing caused by them has been calculated with REFUGE. The dynamic impact of aerosol emissions both ...

1996-12-31

276

Radiant emittance of xenon positive column discharges  

Energy Technology Data Exchange (ETDEWEB)

An embodiment of a mercury-free fluorescent lamp combines a low pressure rare gas discharges with a phosphor having a quantum efficiency grater than one. The choice of the rare gas depends on a number of factors, one of which is the resonance transition energy. Less demand is placed the quantum efficiency of the phosphor for a lower energy resonance photon. Xenon has the lowest energy resonance transition of the stable rare gases at 8.5 eV (147 nm) and thus is a good candidate to study. The usefulness of a xenon-based discharge depends on the radiant emittance of the discharge at the resonance wavelength of 147 nm. The radiant emittance from a low pressure xenon positive column discharge is measured using two independent techniques. The first relies on the measurement of the resonance level density using absorption techniques. The effective decay rate of the resonance level is calculated using radiation trapping theory. The ...

1994-12-31

277

Co-operative downconversion luminescence in Tm3+/Yb3+ : SiO2-Al2O3-LiF-GdF3 glasses  

International Nuclear Information System (INIS)

Oxyfluoride aluminosilicate glasses in the composition of 50SiO2-20Al2O3-20LiF-10GdF3-0.5TmF3-xYbF3 (x = 0, 1.0, 2.5, 5, 7.5, 10, 15, 20, 25 and 30 mol%) have been prepared to study their thermal and optical properties. From the differential thermal analysis measurements, glass transition temperatures and onset crystallization temperatures have been evaluated and from them glass stability factors were calculated. Glass stabilities decreased gradually with fluoride content increment in all the studied glasses. The photoluminescence and decay measurements have also been carried out for all these glasses. In these glasses, an efficient near infrared quantum cutting with optimal quantum efficiency approaching 187% has been demonstrated, by exploring the co-operative downconversion mechanism from Tm3+ to Yb3+, with 467 nm (Tm3+ : 3H6 ? 1G4) excitation wavelength. These glasses are promising materials to achieve high efficiency ...

2008-09-07

279

Benchmark problem: Hydraulics and heat transfer in the model pin bundle with liquid metal coolant. UPV-EHU calculations  

International Nuclear Information System (INIS)

The Department of Nuclear Engineering and Fluid Mechanics in the University of the Basque Country (UPV-EHU), has done calculations for the proposed benchmark problem, in the frame of the 11th international meeting of the IAHR working group on advanced nuclear reactors thermal-hydraulics (Obninsk-Russian Federation, 5-9 July 2004). The purpose of the benchmark is to compare experimental and analytical results of some experiments carried out in the State Scientific Center of Russian Federation 'Institute of Physics and Power Engineering' (SSC RF IPPE). These experiments were held to research the cooling of pin bundles by liquid metals in reference to the core of Nuclear Reactors such as BREST. The analytical results have been done with the Computational Fluid Dynamics (CFD) code FLUENT. Temperature and velocity fields are the main variables considered for the comparison, and some assumptions has been made in order to simplify a complicate ...

2004-07-05

280

The Design and Validation of the Quantum Mechanics Conceptual Survey  

CERN Document Server

The Quantum Mechanics Conceptual Survey (QMCS) is a 12-question survey of students' conceptual understanding of quantum mechanics. It is intended to be used to measure the relative effectiveness of different instructional methods in modern physics courses. In this paper we describe the design and validation of the survey, a process that included observations of students, a review of previous literature and textbooks and syllabi, faculty and student interviews, and statistical analysis. We also discuss issues in the development of specific questions, which may be useful both for instructors who wish to use the QMCS in their classes and for researchers who wish to conduct further research of student understanding of quantum mechanics. The QMCS has been most thoroughly tested in, and is most appropriate for assessment of (as a posttest only), sophomore-level modern physics courses. We also describe testing with students in ...

2010-01-01

281

Quantum secure direct communication by EPR pairs and entanglement swapping  

Science.gov (United States)

We present a quantum secure direct communication scheme achieved by swapping quantum entanglement. In this scheme a set of ordered Einstein-Podolsky-Rosen (EPR) pairs is used as a quantum information channel for sending secret messages directly. After insuring the safety of the quantum channel, the sender Alice encodes the secret messages directly by applying a series local operations on her particle sequences according to their stipulation. Using three EPR pairs, three bits of secret classical information can be faithfully transmitted from Alice to remote Bob without revealing any information to a potential eavesdropper. By both Alice and Bob's GHZ state measurement results, Bob is able to read out the encoded secret messages directly. The protocol is completely secure if perfect quantum channel is used, because there is not a transmission of the qubits carrying the secret message ...

2004-03-01

282

Effective equations of motion for constrained quantum systems: A study of the Bianchi I loop quantum cosmology  

CERN Document Server

A new mathematical framework is formulated to derive the effective equations of motion for the constrained quantum system which possesses an internal clock. In the realm close to classical behavior, the quantum evolution is approximated by a finite system of coupled but ordinary differential equations adhered to the weakly imposed Hamiltonian constraint. For the simplified version of loop quantum cosmology in the Bianchi I model with a free massless scalar filed, the resulting effective equations of motion affirm the bouncing scenario predicted by the previous studies: The big bang singularity is resolved and replaced by the big bounces, which take place up to three times, once in each diagonal direction, whenever the directional density approaches the critical value in the regime of Planckian density. It is also revealed that back-reaction arises from the quantum corrections and modifies the precise ...

2008-01-01

283

Anomaly freedom in perturbative loop quantum gravity  

CERN Document Server

A fully consistent linear perturbation theory for cosmology is derived in the presence of quantum corrections as they are suggested by properties of inverse volume operators in loop quantum gravity. The underlying constraints present a consistent deformation of the classical system, which shows that the discreteness in loop quantum gravity can be implemented in effective equations without spoiling space-time covariance. Nevertheless, non-trivial quantum corrections do arise in the constraint algebra. Since correction terms must appear in tightly controlled forms to avoid anomalies, detailed insights for the correct implementation of constraint operators can be gained. The procedures of this article thus provide a clear link between fundamental quantum gravity and phenomenology.

2008-01-01

284

The tunneling universe in scalar-tensor theory with matter  

Energy Technology Data Exchange (ETDEWEB)

In this paper, the wavefunction of the universe with a tunneling boundary condition is considered in the context of the Brans-Dicke-type scalar-tensor theory with matter. The matter may be interpreted as a D-particle (or D0-brane) in string theory when the Brans-Dicke parameter {omega} is -1. We study two simple examples. The first example, the {gamma}=0 (matter) case, has a scale factor duality even if the low energy string action is coupled to matter. The universe undergoes quantum transition from super-inflationary (pre-big-bang) to deflationary (post-big-bang) phase. We calculate the transition rate by solving the Wheeler-DeWitt equation and find that it is non-vanishing. The two phases are disconnected classically. The second example is the {gamma}=1/3(radiation) case. With the help of earlier work this matter can be identified with a D0-brane in string theory. In this case, due to the absence of the scale factor duality and the ...

2007-10-21

285

The thermodynamic characteristics of retention of tricyclo[5.2.1.02,6]decane isomer molecules on different sorbents in gas chromatography  

Science.gov (United States)

The thermodynamic characteristics of sorption of the isomeric tricyclo[5.2.1.02.6]decane (tetrahydrodicyclopentadiene, TDCPD) molecules were for the first time determined experimentally and by molecular statistical methods under the conditions of gas-adsorption chromatography on graphitized thermal carbon black and gas-liquid chromatography on stationary liquid phases of different polarities (Apiezon L and Carbowax 20M). The effects of the chemical nature of sorbents on the retention of the TDCPD isomers are considered. A procedure for calculating the thermodynamic characteristics of adsorption of molecules with a complex structure is suggested within the framework of the atom-atom approximation of the semiempirical molecular statistical theory of adsorption for the example of isostructural norbornane molecules. The procedure involves simultaneous variation of geometric parameters and refinement of the parameters that determine the special features of the ...

2008-07-01

286

K"#pi#=8"- isomers and K"#pi#=2"- octupole vibrations in N=150 shell-stabilized isotones  

International Nuclear Information System (INIS)

Isomers have been populated in "2"4"6Cm and "2"5"2No with quantum numbers K"#pi#=8"-, which decay through K"#pi#=2"- rotational bands built on octupole vibrational states. For N=150 isotones with (even) atomic number Z=94-102, the K"#pi#=8"- and 2"- states have remarkably stable energies, indicating neutron excitations. An exception is a singular minimum in the 2"- energy at Z=98, due to the additional role of proton configurations. The nearly constant energies, in isotones spanning an 18% increase in Coulomb energy near the Coulomb limit, provide a test for theory. The two-quasiparticle K"#pi#=8"- energies are described with single-particle energies given by the Woods-Saxon potential and the K"#pi#=2"- vibrational energies by quasiparticle random-phase approximation calculations. Ramifications for self-consistent mean-field theory are discussed.

2008-09-01

287

Inelastic electron--dipole-molecule scattering at sub-milli-electron-volt energies: Possible role of dipole-supported states  

International Nuclear Information System (INIS)

Studies of collisions between Rydberg atoms with values of principal quantum number n in the range 100 approx-lt n approx-lt 400 and H_2S and C_6H_5NO_2 are reported. These targets were selected because they have very different dipole moments: 0.97 and 4.22 D, respectively. Analysis of the data using the essentially-free-electron model shows that at micro-electron-volt energies the cross sections for rotationally inelastic electron scattering by these targets have very different energy dependences. This difference suggests that, in the case of C_6H_5NO_2, dipole-supported states might be important in the scattering. To examine this further, the data are compared with the results of calculations using a free-electron cross section that assumes the presence of dipole-supported states, and it is demonstrated that, with a reasonable choice of parameters, it is possible to reproduce the experimental observations.

288

Bern-Kosower rule for scalar QED  

International Nuclear Information System (INIS)

We derive a full Bern-Kosower-type rule for scalar QED starting from quantum field theory: we derive a set of rules for calculating S-matrix elements for any processes at any order of the coupling constant. A gauge-invariant set of diagrams in general is first written in the world line path-integral expression. Then we integrate over x(#tau#), and the resulting expression is given in terms of a correlation function on the world line left-angle x(#tau#)x(#tau#"')right-angle. Simple rules to decompose the correlation function into basic elements are obtained. A gauge transformation known as the integration by parts technique can be used to reduce the number of independent terms before integration over proper-time variables. The surface terms can be omitted provided the external scalars are on shell. Also, we clarify correspondence to the conventional Feynman rule, which enabled us to avoid any ambiguity coming from the infinite dimensionality of ...

289

Atomistic computer simulations of FePt nanoparticles. Thermodynamic and kinetic properties  

Energy Technology Data Exchange (ETDEWEB)

In the present dissertation, a hierarchical multiscale approach for modeling FePt nanoparticles by atomistic computer simulations is developed. By describing the interatomic interactions on different levels of sophistication, various time and length scales can be accessed. Methods range from static quantum-mechanic total-energy calculations of small periodic systems to simulations of whole particles over an extended time by using simple lattice Hamiltonians. By employing these methods, the energetic and thermodynamic stability of non-crystalline multiply twinned FePt nanoparticles is investigated. Subsequently, the thermodynamics of the order-disorder transition in FePt nanoparticles is analyzed, including the influence of particle size, composition and modified surface energies by different chemical surroundings. In order to identify processes that reduce or enhance the rate of transformation from the disordered to the ordered state, the ...

2007-12-20

290

Influence of anchor behaviour on the earthquake response of liquid storage tanks  

International Nuclear Information System (INIS)

The dynamic response of thin liquid storage tanks to earthquakes is a very complicated phenomenon, because it can be highly non linear. Among others, one can meet material and geometric non linearities of the tank shell leading eventually to static or dynamic buckling non linear behavior of anchor bolts, contact non-linearities due to the uplift of the tank base and to the unilateral character of the fluid pressure on the shell and high amplitude fluid oscillations. Moreover, linear or non linear soil structure interaction affects considerably the response of the fluid structure system under consideration. In this paper we focus attention on problems related only to the base uplift and anchors plastification. We study a tank similar to the Hualien project tank, but we neglect the soil structure interaction. The studied tank is representative of medium height to radius ratio ratio tanks with relatively thick bottom plate. The contact is ...

291

Dynamic-stiffness matrix of embedded and pile foundations by indirect boundary-element method  

Energy Technology Data Exchange (ETDEWEB)

The boundary-integral equation method is well suited for the calculation of the dynamic-stiffness matrix of foundations embedded in a layered visco-elastic halfspace (or a transmitting boundary of arbitrary shape), which represents an unbounded domain. It also allows pile groups to be analyzed, taking pile-soil-pile interaction into account. The discretization of this boundary-element method is restricted to the structure-soil interface. All trial functions satisfy exactly the field equations and the radiation condition at infinity. In the indirect boundary-element method distributed source loads of initially unknown intensities act on a source line located in the excavated part of the soil and are determined such that the prescribed boundary conditions on the structure-soil interface are satisfied in an average sense. In the two-dimensional case the variables are expanded in a Fourier integral in the wave number domain, while in three ...

1984-08-01

292

Dynamic behaviour of dc double anode plasma torch at atmospheric pressure  

International Nuclear Information System (INIS)

An original dc double anode plasma torch which provides a long-time and highly stable atmospheric plasma jet has been devised for the purpose of hazardous waste treatment. The arc fluctuations and dynamic behaviour of the argon and argon-nitrogen plasma jets under different operating conditions have been investigated by means of classical tools, such as the statistic method, fast Fourier transform (FFT) and correlation analysis. In our experiments, the takeover mode is identified as the fluctuation characteristic of the argon plasma jet while the restrike mode is typical in the argon-nitrogen plasma dynamic behaviour. In the case of pure argon, the FFT and correlation calculation results of electrical signals exhibit the only characteristic frequency of 150 Hz, which originates from the torch power and is independent of any change in the operating conditions. It indicates that the nature of fluctuations in an argon plasma ...

2007-07-07

293

Quaternion quantum mechanics as a true 3+1-dimensional theory of tachyons  

International Nuclear Information System (INIS)

Using a new approach to quaternion mechanics based on De Broglie waves, it is shown that such a theory describes tachyons and that the quantum theory of tachyons should be a quaternionic one. (U.K.).

294

Quantum group structure in the unitary minimal model  

Energy Technology Data Exchange (ETDEWEB)

We obtain a symmetry algebra for any unitary minimal model by using the representation of conformal field theories. This symmetry algebra can be interpreted as a quantum group. The generalization to non-unitary minimal models is direct. (orig.).

1989-10-05

295

Quantum group structure in the unitary minimal model  

International Nuclear Information System (INIS)

We obtain a symmetry algebra for any unitary minimal model by using the representation of conformal field theories. This symmetry algebra can be interpreted as a quantum group. The generalization to non-unitary minimal models is direct. (orig.).

296

Quantum computing with solids  

Energy Technology Data Exchange (ETDEWEB)

Science and technology could be revolutionized by quantum computers, but building them from solid-state devices will not be easy. Robert W Keyes of IBM's research division outlines the challenges in scaling up the technology from lab experiments to practical devices. (U.K.)

2002-08-01

297

Mapping strain exerted on blood vessel walls using deuterium double-quantum-filtered MRI  

UK PubMed Central (United Kingdom)

A technique is described for displaying distinct tissue layers of large blood vessel walls as well as measuring their mechanical strain. The technique is based on deuterium double-quantum-filtered (DQF)...Full Text Available

1998-04-14

298

Lie-algebraic approach to the problem of quasi-exact solubility in quantum mechanics  

Energy Technology Data Exchange (ETDEWEB)

In this paper method of constructing quasi-exactly solvable models of quantum mechanics is proposed. This method is based on the use of infinite-dimensional representations of simple and semi-simple Lie algebras.

1990-09-20

299

Feynman lectures on physics, quantum mechanics; Le cours de physique de Feynman mecanique quantique  

Energy Technology Data Exchange (ETDEWEB)

This course is based upon lectures in physics given by Professor Feynman at the California institute of technology during 1961 and 1962. This volume is dedicated to quantum physics, semiconductors, symmetry and advanced principles of physics.

2000-07-01

300

Ensemble quantum computing by NMR?spectroscopy  

UK PubMed Central (United Kingdom)

A quantum computer (QC) can operate in parallel on all its possible inputs at once, but the amount of information that can be extracted from the result is limited by the phenomenon of wave function...Full Text Available

1997-03-04

301

Controlled Bidirectional Quantum Direct Communication by Using a GHZ State  

Science.gov (United States)

A controlled bidirectional quantum secret direct communication scheme is proposed by using a Greenberger-Horne-Zeilinger (GHZ) state. In the scheme, two users can exchange their secret messages simultaneously with a set of devices under the control of a third party. The security of the scheme is analysed and confirmed.

2006-07-01

302

Asymptotic functions and multiplication of distributions  

International Nuclear Information System (INIS)

Considered is a new type of generalized asymptotic functions, which are not functionals on some space of test functions as the Schwartz distributions. The definition of the generalized asymptotic functions is given. It is pointed out that in future the particular asymptotic functions will be used for solving some topics of quantum mechanics and quantum theory.

1976-01-26

303

Use of noise analysis methods in process monitoring of future fuel cycles  

Energy Technology Data Exchange (ETDEWEB)

The {sup 252}Cf-source-driven noise analysis method has been used in measurements for subcritical configurations of fissile systems for a variety of applications including a dynamic measurement that was the first step in applying this method to monitor fuel in a future reprocessing plant These measurements showed that this method has potential to monitor many dynamic situations in processing plants such as in a continuous dissolver or batch dissolvers either to obtain the neutron multiplication factor k or to be used as a signature to verify that various processes are occurring in a repeatable or bounded way. This verification of normal operation would be by comparing noise analysis signatures for the process with reference signatures. Abnormal operation could be ascertained if the signature deviates by some specified amount from the reference signatures from normal operation. The deviations from normal could be specified by measurement or by ...

1993-08-01

304

The projector augmented wave method: A fast all-electron procedure for the ab-initio molecular dynamics  

International Nuclear Information System (INIS)

In this thesis, a new ab-initio method for molecular dynamics within the framework of density functional theory was developed and implemented. It is strongly related to the projector-augmented-wave method (PAW) by P. Bloechl, but also includes elements of a pseudocharge method proposed by M. Weinert for the full-potential linearized augmented plane wave method (FLAPW). Like the FLAPW-method, the PAW-method is an all-electron method. In the later case, the hamiltonian takes quite a simple form similar to the one obtained when using normconserving Kleinman-Bylander-type pseudopotentials or ultrasoft Vanderbilt pseudopotentials. The PAW-method allows for an efficient calculation of systems containing virtually any element of the periodic table, including those which require high numerical effort when treated using normconserving pseudopotentials (e.g. 2p-elements like oxygen or 3d-transitional metals like copper). In addition, a higher accuracy ...

305

The effects of pressure on the electronic, transport and dynamical properties of AuX_2 (X = Al, Ga and In)  

International Nuclear Information System (INIS)

The electronic band structure, transport properties, and lattice dynamics in AuX_2 (X = Al, Ga and In) under high pressure have been extensively studied with full potential linearized augmented plane wave and pseudopotential plane wave methods. The theoretical results for the electronic band structure and Fermi surface reveal pressure-induced electronic topological transitions (ETTs) in AuGa_2 and AuIn_2, while they are absent in AuAl_2, in excellent agreement with the experimental observations. Moreover, calculations of the transport properties at different pressures reveal subtle changes in the band structure close to the Fermi surface of the three intermetallic compounds. It is clear that the anomalies in transport properties are due to ETTs. Interestingly, a pressure-induced soft transverse acoustic (TA) phonon mode is identified only in AuGa_2. The TA phonon instability at the Brillouin zone boundary L point might be responsible for the ...

2007-10-24

306

Structure of human insulin monomer in water/acetonitrile solution  

Energy Technology Data Exchange (ETDEWEB)

Here we present evidence that in water/acetonitrile solvent detailed structural and dynamic information can be obtained for important proteins that are naturally present as oligomers under native conditions. An NMR-derived human insulin monomer structure in H{sub 2}O/CD{sub 3}CN, 65/35 vol%, pH 3.6 is presented and compared with the available X-ray structure of a monomer that forms part of a hexamer (Acta Crystallogr. 2003 Sec. D59, 474) and with NMR structures in water and organic cosolvent. Detailed analysis using PFGSE NMR, temperature-dependent NMR, dilution experiments and CSI proves that the structure is monomeric in the concentration and temperature ranges 0.1-3 mM and 10-30 deg. C, respectively. The presence of long-range interstrand NOEs, as found in the crystal structure of the monomer, provides the evidence for conservation of the tertiary structure. Starting from structures calculated by the program CYANA, two different molecular ...

2008-01-15

307

Stability and cations coordination of DNA and RNA 14-mer G-quadruplexes: a multiscale computational approach.  

Science.gov (United States)

Molecular dynamics simulations have been used to study the differences between two DNA and RNA 14-mer quadruplexes of analogous sequences. Their structures present a completely different fold: DNA forms a bimolecular quadruplex containing antiparallel strands and diagonal loops; RNA forms an intrastrand parallel quadruplex containing a G-tetrad and an hexad, which dimerizes by hexad stacking. We used a multiscale computational approach combining classical Molecular dynamics simulations and density functional theory calculations to elucidate the difference in stability of the 2-folds and their ability in coordinating cations. The presence of 2'-OH groups in the RNA promotes the formation of a large number of intramolecular hydrogen bonds that account for the difference in fold and stability of the two 14-mers. We observe that the adenines in the RNA quadruplex play a key role in conserving the geometry of the hexad. We ...

2008-09-03

308

Quantitative assessment of bone scintigraphy in the hip joint disease  

International Nuclear Information System (INIS)

Quantitative assessment of bone scintigraphy was performed in fifty-six patients with hip joint disease including femoral neck fracture, aseptic necrosis of the femoral head, traumatic dislocation of the hip, Perthes disease, and transient synovitis of the hip. In the static study, bone scintigraphy was obtained 3 hours after injection of sup(99m)Tc-MDP by gamma camera equipped with a computer and uptake ratios were calculated. In the dynamic study, bone scintigraphy was performed in one, 3 and 5 hours after injection of radionuclide. Femoral head uptake ratio was markedly decreased in osteonecrosis following femoral neck fracture and characteristically increased in aseptic necrosis of the femoral head but prolonged retention of sup(99m)Tc-MDP could be observed. Uptake ratios of epiphysis were decreased in Perthes disease but normal in transient synovitis of the hip. Static and dynamic study of bone scintigraphy may be ...

309

Probabilistic power generation planning with environmental consideration for Lebanon  

International Nuclear Information System (INIS)

Full text.This paper describes a software tool for generation expansion planning based on dynamic programming, probabilistic production simulation, and environmental assessment. The aim is to determine the units needed to expand a given system in order to minimize either the cost or the environmental impact or some weighed function of the two. The problem of generation expansion planning is solved in stages using Tunnel Dynamic Programming (TDP) with Heuristic rules to limit the number of options analyzed. The production costing methodology is based on combining a probabilistic generation model known as the capacity outage table (COT) with the load duration curve (LDC) of the system to deduce a risk model from which the expected energy not supplied (EENS) is estimated. The generation model is built recursively using an efficient numerical convolution procedure and is combined at each step with the LDC to calculate the ...

2000-11-23

310

On the orbital evolution and growth of protoplanets embedded in a gaseous disc  

CERN Document Server

We present a new computation of the linear tidal interaction of a protoplanetary core with a thin gaseous disc in which it is fully embedded. For the first time a discussion of the orbital evolution of cores with eccentricity (e) significantly larger than the gas-disc scale height to radius ratio (H/r) is given. We find that the direction of orbital migration reverses for e>1.1H/r. This occurs as a result of the orbital crossing of resonances in the disc that do not overlap the orbit when the eccentricity is very small. Simple expressions giving approximate fits to the eccentricity damping rate and the orbital migration rate are presented. We go on to calculate the rate of increase of the mean eccentricity for a system of protoplanetary cores due to dynamical relaxation. By equating the eccentricity damping time-scale with the dynamical relaxation time-scale we deduce that an equilibrium between eccentricity damping and ...

1999-01-01

311

Numerical Simulation of a Compartment Fire in a Nuclear Power Plant Containment Building  

International Nuclear Information System (INIS)

The current trend towards the increased use of risk assessment in the regulation of nuclear power plants will inevitably result in changes in the analysis of fire protection systems and the methods of analysis. Before fire protection can be regulated on a risk basis, a consensus must be reached on a number of issues. One key issue is what types of computational tools will be allowable for analyzing fire events, and what types of scenarios those tools will be approved for use. Reaching this consensus will require an understanding of the types of computational tools available and their inherent advantages and disadvantages. To aid with this understanding, three different methods of fire simulation are applied to an oil pool fire test in the HDR (Heiss Dampf Reaktor) containment test facility. These methods are a hand calculation, the zone model code CFAST (Consolidated Model of Fire Growth and Smoke Transport), and the computational fluid ...

2002-04-14

312

Free and forced convective cooling of pipe-type electric cables. Volume 2: electrohycrodynamic pumping. Final report  

Energy Technology Data Exchange (ETDEWEB)

A multi-faceted research program has been performed to investigate in detail several aspects of free and forced convective cooling of underground electric cable systems. There were two main areas of investigation. The first one, reported in Volume 1, dealt with the fluid dynamic and thermal aspects of various components of the cable system. In particular, friction factors for laminar flow in the cable pipes with various configurations were determined using a finite element technique; the temperature distributions and heat transfer in splices were examined using a combined analytical numerical technique; the pressure drop and heat transfer characteristics of cable pipes in the transitional and turbulent flow regime were determined experimentally in a model study; and full-scale model experimental work was carried out to determine the fluid dynamic and thermal characteristics of entrance and exit chambers for the cooling oil. The second major ...

1981-05-01

313

Free and forced convective cooling of pipe-type electric cables. Volume 1: forced cooling of cables. Final report  

Energy Technology Data Exchange (ETDEWEB)

A multi-faceted research program has been performed to investigate in detail several aspects of free and forced convective cooling of underground electric cable systems. There were two main areas of investigation. The first one reported in this volume dealt with the fluid dynamic and thermal aspects of various components of the cable system. In particular, friction factors for laminar flow in the cable pipes with various configurations were determined using a finite element technique; the temperature distributions and heat transfer in splices were examined using a combined analytical numerical technique; the pressure drop and heat transfer characteristics of cable pipes in the transitional and turbulent flow regime were determined experimentally in a model study; and full-scale model experimental work was carried out to determine the fluid dynamic and thermal characteristics of entrance and exit chambers for the cooling oil. The second major ...

1981-05-01

314

Use of the ADINA (Automatic Dynamic Incremental Nonlinear Analysis) computer code on a COSA II (Computer Codes for Salt) benchmark computer case of the local area - progress report 1990  

International Nuclear Information System (INIS)

The COSA II (computer codes for salt) benchmark problem has been pursued with the ADINA (Automatic Dynamic Incremental Nonlinear Analysis) program code. With the use of this, the code should be validated by means of experimental data and the ability to reproduce real-life calculation results of the KfK (Kernforschungszentrum Karlsruhe/Nuclear Research Center in Karlsruhe) should be proven. A successful validation of the code then forms the foundation stone for the ability to use different calculation problems in the final (ultimate) storage. This also accompanies the consequent reaction of replacing the STEALTH (Solids and Thermal Hydraulics Code for EPRI Adapted from LAGRANGE TOODY and HEMP) program which has a number of program-specific weaknesses compared to the ADINA computer code. In order to reproduce the approximate values from the KfK, the same values have been used. Differences were evident in the discretion and ...

315

Two Avowable Quantum Communication Schemes  

International Nuclear Information System (INIS)

Two avowable quantum communication schemes are proposed. One is an avowable teleportation protocol based on the quantum cryptography. In this protocol one teleports a set of one-particle states based on the availability of an honest arbitrator, the keys and the Einstein-Podolsky-Rosen pairs shared by the communication parties and the arbitrator. The key point is that the fact of the teleportation can neither be disavowed by the sender nor be denied by the receiver. Another is an avowable quantum secure direct communication scheme. A one-way Hash function chosen by the communication parties helps the receiver to validate the truth of the information and to avoid disavowing for the sender.

2008-11-15

316

Two Avowable Quantum Communication Schemes  

Science.gov (United States)

Two avowable quantum communication schemes are proposed. One is an avowable teleportation protocol based on the quantum cryptography. In this protocol one teleports a set of one-particle states based on the availability of an honest arbitrator, the keys and the Einstein Podolsky Rosen pairs shared by the communication parties and the arbitrator. The key point is that the fact of the teleportation can neither be disavowed by the sender nor be denied by the receiver. Another is an avowable quantum secure direct communication scheme. A one-way Hash function chosen by the communication parties helps the receiver to validate the truth of the information and to avoid disavowing for the sender.

2008-11-01

317

Tachyons in field theory  

International Nuclear Information System (INIS)

The conventional treatment of quantum field theories including tachyons is presented, in particular the phi"4 theory. (W.D.L.).

318

Quantum Impurities in the Two-Dimensional Spin One-Half Heisenberg Antiferromagnet  

CERN Document Server

The study of randomness in low-dimensional quantum antiferromagnets is at the forefront of research in the field of strongly correlated electron systems, yet there have been relatively few experimental model systems. Complementary neutron scattering and numerical experiments demonstrate that the spin-diluted Heisenberg antiferromagnet La2Cu(1-z)(Zn,Mg)zO4 is an excellent model material for square-lattice site percolation in the extreme quantum limit of spin one-half. Measurements of the ordered moment and spin correlations provide important quantitative information for tests of theories for this complex quantum-impurity problem.

2002-01-01

319

Phonon-mediated entanglement for trapped ion quantum computing  

Energy Technology Data Exchange (ETDEWEB)

Trapped ions are a near ideal system to study quantum information processing due to the high degree of control over the ion's external confinement and internal degrees of freedom. We demonstrate the key steps necessary for trapped ion quantum computing and focus on phonon-mediated entangling gates. We highlight several key algorithms implemented over the last decade with these gates and give a detailed description of Grover's quantum database search implemented with two trapped ion qubits.

2010-03-15

320

OCW Physics  

Wastenet

...225J Einstein, Oppenheimer, Feynman: Physics in the 20th Century Fall 2002 8.231 Physics of Solids I Fall 2002 8.251 String Theory for Undergraduates Spring 2003 8.261J Introduction to Computational Neuroscience Spring 2002 8.282J Introduction to Astronomy Spring 2003 8.321 Quantum Theory I Fall 2002 8.322 Quantum Theory II Spring 2003 8.323 Relativistic Quantum Field Theory I Spring 2003 8.324 Quantum Field Theory II ...

321

Integrated photonic qubit quantum computing on a superconducting chip  

International Nuclear Information System (INIS)

We study a quantum computing system using microwave photons in transmission line resonators on a superconducting chip as qubits. We show that linear optics and other controls necessary for quantum computing can be implemented by coupling to Josephson devices on the same chip. By taking advantage of the strong nonlinearities in Josephson junctions, photonic qubit interactions can be realized. We analyze the gate error rate to demonstrate that our scheme is realistic even for Josephson devices with limited decoherence times. As a conceptually innovative solution based on existing technologies, our scheme provides an integrated and scalable approach to the next key milestone for photonic qubit quantum computing.

2010-06-01

322

InP-quantum dots in AlGaInP  

International Nuclear Information System (INIS)

... dpg-tagungen.de Dresden (Germany) 27-31 Mar 2006 0420-0195 VDPEAZ

2006-03-27

323

Go vs. no-go - potential and limitations of continuous-variable quantum computing by measurements  

Energy Technology Data Exchange (ETDEWEB)

In this talk, we explore the feasibility of quantum computation using continuous-variable systems by means of local measurements only. In the first part of the talk, we will identify crucial limitations that arise when starting from Gaussian cluster states. This is done by resorting to a Gaussian projected entangled pair picture as well as to notions of continuous-variable quantum repeater networks. In the second part, we look at instances in which these limitations can be overcome, and how suitable encodings of qubits in oscillators and feasible non-Gaussian resource states give rise to universal schemes for quantum computing.

2010-07-01

324

Entangled quantum currents in distant mesoscopic Josephson junctions  

Energy Technology Data Exchange (ETDEWEB)

Two mesoscopic SQUID rings which are far from each other are considered. A source of two-mode nonclassical microwaves irradiates the two rings with correlated photons. The Josephson currents are in this case quantum mechanical operators, and their expectation values with respect to the density matrix of the microwaves yield the experimentally observed currents. Classically correlated (separable) and quantum mechanically correlated (entangled) microwaves are considered, and their effect on the Josephson currents is quantified. Results for two different examples that involve microwaves in number states and coherent states are derived. It is shown that the quantum statistics of the tunnelling electron pairs through the Josephson junctions in the two rings are correlated.

2004-12-22

325

Efficient quantum secure communication scheme with one-time pad  

Science.gov (United States)

In this paper, we proposed a novel quantum secure direct communication scheme with one-time pad in stabilizer formalism. Based on the reuse of qubit sequence, an efficient secure communication of secret messages without first producing a shared secret key can be achieved. One hence may find that the amount of private key needed for quantum communication is smaller than that in the general case. Therefore, the present protocol which is feasible with the present-day techniques may be applied to quantum communication with short-length encoding.

2009-05-01

327

Quantum cosmological approach to the cosmic no-hair conjecture in the Bianchi type-IX spacetime  

Energy Technology Data Exchange (ETDEWEB)

The propriety of the cosmic no-hair conjecture to the Bianchi-type-IX spacetime is discussed from a quantum cosmological point of view. It is shown that most, but not all, classical universes which are created quantum cosmologically are inflationary. The probability of inflation among such universes is also discussed.

1990-02-15

328

Quantum cosmological approach to the cosmic no-hair conjecture in the Bianchi type-IX spacetime  

International Nuclear Information System (INIS)

The propriety of the cosmic no-hair conjecture to the Bianchi-type-IX spacetime is discussed from a quantum cosmological point of view. It is shown that most, but not all, classical universes which are created quantum cosmologically are inflationary. The probability of inflation among such universes is also discussed.

329

Quantum Discrete Fourier Transform in an Ion Trap System  

International Nuclear Information System (INIS)

We propose two schemes for the implementation of quantum discrete Fourier transform in the ion trap system. In each scheme we design a tunable two-qubit phase gate as the main ingredient. The experimental implementation of the schemes would be an important step toward complex quantum computation in the ion trap system.

2007-06-15

330

Optimal Quantum State Estimation by No-Signaling Principle  

CERN Document Server

We obtain a simple derivation of the optimal quantum state estimation of a two-level system using the no-signaling principle. In particular, we show that the no-signaling principle determines the unique form of the guessing probability, independently to a given figure of merit such as the fidelity or the information gain. This proves that optimal measurements for a two-level quantum system is the same for almost all figures of merit.

2010-01-01

331

Investigation of morphology and chemical composition of self-organized semiconductor quantum dots and wires by X-ray scattering  

International Nuclear Information System (INIS)

X-ray scattering methods suitable for the investigation of the morphology and chemical composition of self-organized quantum dots and quantum wires are reviewed. Their application is demonstrated in experimental examples showing that a combination of small angle X-ray scattering with high-resolution X-ray diffraction can reveal both the shape and the chemical composition of the self-organized objects. (author)

2001-09-23

332

Finding two-dimensional peaks  

CERN Document Server

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

2004-01-01

333

Experimental realization of Dicke states of up to six qubits for multiparty quantum networking  

CERN Document Server

We report the first experimental generation and characterization of a six-photon Dicke state and demonstrate its remarkable versatility by projecting out four- and five-photon Dicke states, in addition to four-photon GHZ- and W-states. These multipartite states are studied by developing experimentally favorable characterization tools. Furthermore, we show that Dicke states have interesting applications in multiparty quantum networking protocols such as open-destination teleportation, telecloning and quantum secret sharing.

2009-01-01

334

Consistent Loop Quantum Cosmology  

CERN Document Server

A consistent combination of quantum geometry effects rules out a large class of models of loop quantum cosmology and their critical densities as they have been used in the recent literature. In particular, the critical density at which an isotropic universe filled with a free, massless scalar field would bounce must be well below the Planck density. In the presence of anisotropy, no model of the Schwarzschild black hole interior analyzed so far is consistent.

2008-01-01

335

Computing quantum eigenvalues made easy  

Energy Technology Data Exchange (ETDEWEB)

An extremely simple and convenient method is presented for computing eigenvalues in quantum mechanics by representing position and momentum operators in matrix form. The simplicity and success of the method is illustrated by numerical results concerning eigenvalues of bound systems and resonances for Hermitian and non-Hermitian Hamiltonians as well as driven quantum systems. Various MATLAB program codes are listed. (author)

2002-07-01

336

Adiabatic quantum computing with phase modulated laser pulses  

Energy Technology Data Exchange (ETDEWEB)

Implementation of quantum logical gates for multilevel systems is demonstrated through decoherence control under the quantum adiabatic method using simple phase modulated laser pulses. We make use of selective population inversion and Hamiltonian evolution with time to achieve such goals robustly instead of the standard unitary transformation language. (letter to the editor)

2005-09-23

337

2D cavity grid quantum computing  

Energy Technology Data Exchange (ETDEWEB)

We propose a novel scheme for scalable solid state quantum computing, where superconducting microwave transmission line resonators (cavities) are arranged in a two-dimensional grid on the surface of a chip, coupling to superconducting qubits (charge or flux) at the intersections. We analyze how tasks of quantum information processing can be implemented in such a topology, including efficient two-qubit gates between any two qubits on the grid and elements of fault-tolerant computation.

2008-07-01

338

Dynamic Virtual LANs for Adaptive Network Security  

Science.gov (United States)

Page 1. Dynamic Virtual LANs for Adaptive Network Security ... Dynamic Virtual LANs for adaptive network security D. Merani, A. Berni, M. Leonard ...

2004-11-01

339

3D transient calculations of PGV-1000 based on TRAC  

Energy Technology Data Exchange (ETDEWEB)

Full text of publication follows: During calculations of SAR accidents and transients it is necessary to perform steam generator simulation. Best accuracy is 3D transient calculations presented in report. Main outcomes of work was next: 1. There was shown by analysis the applicability of code TRAC (Los-Alamos laboratory) for thermal - hydraulic calculations of horizontal steam generator PGV-1000M. Special nodalization scheme was developed for it purposes. 2. Validation and selection of thermal-hydraulic correlations for improvement of using the code at calculation PGV-1000M were performed. As result Labuntsov formula is recommended for horizontal SG. 3. Calculations of nominal mode operation of PGV-1000M for cross-verification with code STEG (Electrogorsk Research and Engineering Center EREC) during its verification were performed. Solution by TRAC was obtained for transient problem ...

2005-07-01

340

Monte Carlo treatment planning for photon and electron beams  

International Nuclear Information System (INIS)

During the last few decades, accuracy in photon and electron radiotherapy has increased substantially. This is partly due to enhanced linear accelerator technology, providing more flexibility in field definition (e.g. the usage of computer-controlled dynamic multileaf collimators), which led to intensity modulated radiotherapy (IMRT). Important improvements have also been made in the treatment planning process, more specifically in the dose calculations. Originally, dose calculations relied heavily on analytic, semi-analytic and empirical algorithms. The more accurate convolution/superposition codes use pre-calculated Monte Carlo dose 'kernels' partly accounting for tissue density heterogeneities. It is generally recognized that the Monte Carlo method is able to increase accuracy even further. Since the second half of the 1990s, several Monte Carlo dose engines for radiotherapy treatment planning have ...

2007-04-01

341

Comparison of the projector augmented-wave, pseudopotential, and linearized augmented-plane-wave formalisms for density-functional calculations of solids  

International Nuclear Information System (INIS)

The projector augmented-wave (PAW) method was developed by Bloechl as a method to accurately and efficiently calculate the electronic structure of materials within the framework of density-functional theory. It contains the numerical advantages of pseudopotential calculations while retaining the physics of all-electron calculations, including the correct nodal behavior of the valence-electron wave functions and the ability to include upper core states in addition to valence states in the self-consistent iterations. It uses many of the same ideas developed by Vanderbilt in his open-quotes soft pseudopotentialclose quotes formalism and in earlier work by Bloechl in his open-quotes generalized separable potentials,close quotes and has been successfully demonstrated for several interesting materials. We have developed a version of the PAW formalism for general use in structural and dynamical studies of ...

342

A Scheme of 3-D Breakdown-whip Analysis Methodology for High Energy Piping  

Energy Technology Data Exchange (ETDEWEB)

High energy piping systems are operated with either or both conditions of maximum operating temperature exceeding 200 .deg. F(93.3 .deg. C) or maximum operating pressure exceeding 275 psig(19.3kg/cm{sup 2}) during normal operating conditions in nuclear power plants. A high energy pipe failure is postulated in branches or piping that runs larger than one inch nominal diameter. The resultant consequences of these postulated pipe breaks must be analyzed for the effect on maintenance of plant safe shutdown capability, containment integrity. And the analyzed results must be applied to the system design so that a pipe failure can not damage essential systems to an extent of impairing design function nor affect necessary component operability. The considerable effects of pipe break are as follows; dynamic effects such as pipe whip, jet impingement and environmental impact by release of system contents. Two types of forces are occurred by the pipe whip. The one is pipe ...

2007-10-15

343

{delta}f simulation of ion neoclassical transport  

Energy Technology Data Exchange (ETDEWEB)

Ion neoclassical transport with finite orbit width dynamics is calculated over whole poloidal cross section by using accurate {delta}f method which employs an improved like-particle collision operator and an accurate weighting scheme to solve drift kinetic equation. Ion thermal transport near magnetic axis shows a great reduction from its conventional neoclassical level due to non-standard orbit topology, like that of previous {delta}f simulation. On other hand, the direct particle loss from confinement region may strongly increase ion energy transport near the edge. It is found that ion parallel flow near the axis is also largely reduced due to non-standard orbit topology. In the presence of steep density gradient, ion thermal conductivity is significantly reduced, and an ion particle flux is driven by self-collision alone. (author)

1999-07-01

344

Thermal noise as a spectroscopic tool to determine transport properties  

British Library Electronic Table of Contents (United Kingdom)

The utilization of thermal fluctuations or Johnson/Nyquist noise as a spectroscopic method to determine transport properties in conductors or semiconductors is developed. The autocorrelation function is obtained from power spectral density measurements thus enabling electronic transport property calculation through the Green-Kubo formalism. This experimental approach is distinct from traditional numerical methods such as molecular dynamics simulations, which have been used to extract the autocorrelation function and directly related physics only. This work reports multi-transport property measurements consisting of the electronic relaxation time, resistivity, mobility, diffusion coefficient, electronic contribution to thermal conductivity and Lorenz number from experimental data. Double va...

2009-01-01

345

The new computer program for three dimensional relativistic hydrodynamical model  

CERN Document Server

An effective computer program for three dimensional relativistic hydrodynamical model has been developed. It implements a new approach to the early hot phase of relativistic heavy-ion collisions. The computer program simulates time-space evolution of nuclear matter in terms of ideal-fluid dynamics. Equations of motions of hydrodynamics are solved making use of finite difference methods. Commonly-used algorithms of numerical relativistic hydrodynamics RHLLE and MUSTA-FORCE have been applied in simulations. To speed-up calculations, parallel processing has been made available for solving hydrodynamical equations. The test results of simulations for 3D, 2D and Bjorken expansion are reported in this paper. As a next step we plan to implement the hadronization algorithm by implementing the continuous particle emission for freeze-out and comparing it with Cooper-Frye formula.

2006-01-01

346

Surge pressure behavior in reduced diameter segments of shipping terminals; Comportamento de pulsos de pressao em trechos de diametro reduzido de dutos de terminais maritimos  

Energy Technology Data Exchange (ETDEWEB)

In a shipping terminal, the pipeline in the pier usually has a diameter smaller than the main pipeline diameter. This diameter reduction amplifies the effects caused by hydraulic transients. It was noticed during simulations that check valves placed in the pier may introduce some error in the maximum pressure when it was modeled in a conventional fashion. The dynamic check valve model had been added to a commercial pipeline simulation software and the results was compared with a similar model using the method of characteristics. Considering a real state shipping terminal case, it was proved even a pipeline that works with low pressure and smooth elevation profile needs a detailed valve modeling to prevent the calculation of unreal pressure values in the region with diameter reduction. (author)

2004-07-01

347

Short term hydroelectric power system scheduling with wind turbine generators using the multi-pass iteration particle swarm optimization approach  

British Library Electronic Table of Contents (United Kingdom)

This paper uses multi-pass iteration particle swarm optimization (MIPSO) to solve short term hydroelectric generation scheduling of a power system with wind turbine generators. MIPSO is a new algorithm for solving nonlinear optimal scheduling problems. A new index called iteration best (IB) is incorporated into particle swarm optimization (PSO) to improve solution quality. The concept of multi-pass dynamic programming is applied to modify PSO further and improve computation efficiency.The feasible operational regions of the hydro units and pumped storage plants over the whole scheduling time range must be determined before applying MIPSO to the problem. Wind turbine power generation then shaves the power system load curves. Next, MIPSO calculates hydroelectric generation scheduling. It beg...

2008-01-01

348

Response variability in balanced cortical networks  

DEFF Research Database (Denmark)

We study the spike statistics of neurons in a network with dynamically balanced excitation and inhibition. Our model, intended to represent a generic cortical column, comprises randomly connected excitatory and inhibitory leaky integrate-and-fire neurons, driven by excitatory input from an external population. The high connectivity permits a mean field description in which synaptic currents can be treated as gaussian noise, the mean and autocorrelation function of which are calculated self-consistently from the firing statistics of single model neurons. Within this description, a wide range of Fano factors is possible. We find that the irregularity of spike trains is controlled mainly by the strength of the synapses relative to the difference between the firing threshold and the postfiring reset level of the membrane potential. For moderately strong synapses, we find spike statistics very similar to those observed in primary visual cortex.

2006-01-01

349

Particulate kinematic simulations of debris avalanches: interpretation of deposits and landslide seismic signals of Mount Saint Helens, 1980 May 18:  

British Library Electronic Table of Contents (United Kingdom)

SUMMARY We construct a new class of granular landslide models in which avalanches are simulated with large numbers of independent particles moving under the influence of topographically derived gravitational and centripetal acceleration. Concurrently, the particles suffer deceleration due to basal and dynamic friction. The novel aspect of the calculation is that complex particle-to-particle interactions, fluctuating basal contacts, and unresolved topographic roughness within and below the deforming flow are mimicked by random perturbations in along-track and cross-slope acceleration. We apply the method to the 1980 May 18 Mount Saint Helens debris avalanche by constraining the initial geometry and structure of the slide mass from geological data, and the initial failure sequence from eyewi...

2006-01-01

350

Numerical simulation of a pulsed corona discharge plasma  

Science.gov (United States)

In this paper we study theoretically a pulsed corona discharge plasma in air at atmospheric pressure. A self consistent one-dimensional model, using a flux-corrected transport numerical scheme, is presented to achieve it. The charged particle kinetics in this model are described by one-dimensional continuity equations coupled with Poisson's equations. The spatio-temporal local field, charge density variations and the velocity profile of an ionizing front are calculated to describe the dynamical behavior of corona discharge plasmas. The simulation results of a wire-in-cylinder corona discharge plasma explain the physical mechanisms of discharge processes. These results may also be apply to obtain the optimizing parameters for designing the plasma reactor.

2001-10-01

351

Mechanical properties of surface composite particles coated with finer particles; Hyomen hifukugata fukuto biryushiso no rikigaku tokusei  

Energy Technology Data Exchange (ETDEWEB)

The effect of the coated composite surface of particles on the mechanical properties of the powder bed was investigated. Polyethylene-silica surface composite powder was prepared at several coating ratios with Hybridizer. Various tests on mechanical properties of the powder bed were carried out with the prepared powder, and the following results were obtained: The ultimate tensile strength depends only on the cohesive force between particles, and the contact probability model of composite particles led to good agreement between the experimental and calculated values. The coefficient of internal friction and cohesive shear strength were influenced due to the interlocking effect of the surface roughness of composite particles. The effects of coating particles became small with dynamic properties like angle of repose. It is possible to control the mechanical properties in a step wise fashion by changing the coating ratio of the particles. 10 ...

1996-05-10

352

Gluino-Squark Production at the LHC: The Threshold  

CERN Document Server

An analysis of the cross section for hadronic production of gluino-squark pairs close to threshold is presented. Within the framework of non-relativistic QCD a significant enhancement compared to fixed order perturbation theory is observed which originates from the characteristic remnants of the gluino-squark resonances below the nominal pair threshold. The analysis includes all colour configurations of S-wave gluino-squark pairs, i.e. triplet, sextet and 15 representation. Matching coefficients at leading order are separately evaluated for all colour configurations. The dominant QCD corrections, arising from initial- and final-state radiation are included. The non-relativistic dynamics of the gluino pair is solved by calculating the Green's function in Next-to-Leading Order (NLO). The results are applied to benchmark scenarios, based on Snowmass Points and Slopes (SPS). As a consequence of the large decay rate of at least one of the ...

2011-01-01

353

Geometry effects in the pulsed magnetization of high-temperature superconductor bulk parts  

International Nuclear Information System (INIS)

The dynamic response of cylindrical and ring-shaped YBaCuO bulk parts to pulsed magnetic fields is calculated by using small sets of finite elements. Some comparisons with experimental results are provided, and they give confidence in the modelling of the superconducting properties. Transient magnetizations as a function of time and space as well as shapes and absolute values of trapped magnetic flux profiles are presented. The influence of the sample geometry is investigated for different millisecond pulsed magnetization processes. Results are reported for different radial thicknesses and heights, different pulse durations, peak magnetic fields and pulse sequences with and without stepwise cooling. Comparisons concerning the achievable trapped magnetic field and flux are made, and implications for the use of high-temperature superconductor bulk parts as cryo-permanent magnets in potential applications like electric machinery are discussed.

2005-02-01

354

General flow and thermal boundary conditions in indoor air flow simulation  

Energy Technology Data Exchange (ETDEWEB)

The concepts of general flow and thermal boundary conditions are introduced to treat the interaction between indoor and outdoor thermal environments in computational fluid dynamics (CFD) simulations. The results from a multi-zone model are used to supply the general flow boundary conditions. The energy balance equation at wall-air interfaces is used to supply the general thermal boundary conditions. An example calculation in a 13-room building shows that infiltration influences indoor air flow patterns considerably. The air flow in a room ventilated by displacement is measured and simulated. Two surface coatings are considered, i.e. black walls and aluminum walls. Implementation of these two boundary conditions is essential in predicting air flow patterns, air quality, and thermal comfort in a real building. (author)

1994-12-31

355

Feynman graphs and generalized eikonal approach to high energy knock-out processes  

International Nuclear Information System (INIS)

The cross section of hard semiexclusive A(e,e"'N)(A-1) reactions for fixed missing energy and momentum is calculated within the eikonal approximation. Relativistic dynamics and kinematics of high energy processes are unambiguously accounted for by using the analysis of appropriate Feynman diagrams. A significant dependence of the final state interactions on the missing energy is found, which is important for interpretation of forthcoming color transparency experiments. A new, more stringent kinematic restriction on the region where the contribution of short-range nucleon correlations is enhanced in semiexclusive knock-out processes is derived. It is also demonstrated that the use of light-cone variables leads to a considerable simplification of the description of high energy knock-out reactions. copyright 1997 The American Physical Society.

356

Experimental and analytical studies of four-inch pipe whip tests under PWR LOCA conditions  

Energy Technology Data Exchange (ETDEWEB)

This paper presents experimental and analytical results of pipe whip tests performed under PWR LOCA conditions using a test pipe of 4-inch diameter and U-shaped restraints. In the tests, the effects of the overhang length on the pipe whip behavior of the piperestraints system were studied by measuring the strains and deformations of the test pipe and restraints, and the restraints forces. The equation for predicting the maximum strain at the outer surface of the pipe was derived using a static equilibrium condition. The calculated maximum strains at the outer surface of the pipe agree fairly well with experimental data. The dynamic response analysis of the pipe-restraints system was conducted by the finite element program ADINA. The applicability of the ADINA program to the pipe whip analysis is made clear through this analysis.

1984-01-01

357

Direct solar thermal-to-electric energy conversion using thermophotovoltaics  

Energy Technology Data Exchange (ETDEWEB)

Thermophotovoltaic energy conversion achieves direct conversion of thermal energy to electricity without the need for complex dynamic machinery operating in one of several possible thermodynamic cycles. This paper presents an analysis of a hybrid solar thermophotovoltaic (STPV) energy conversion system in which a receiver/photovoltaic (PV) array subsystem is powered by either a solar concentrator or a fossil fuel combustion source. The overall TPV system efficiency is calculated using an appropriate selective emitter and a spectrally tuned solar cell designed to achieve maximum conversion efficiency in the narrow band emitted by the selective emitter. Two limiting cases are examined to place upper and lower bounds on system performance. The estimates of system performance are based on actual experimental data from PV cells and selective emitters.

1995-10-01

358

Development of the high sensitivity real-time neutron radiography for low-flux neutron sources  

Energy Technology Data Exchange (ETDEWEB)

The authors have developed a high-sensitivity real-time neutron radiography (NR) system by the use of the low power reactor of Kinki University. The system was constructed with a high efficiency neutron-photon converter, an image intensifier and a SIT TELEVISION camera. Some digital image processing techniques were applied for improving the quality of the real-time neutron images. By the use of this system, dynamic neutron imaging was performed successfully under the condition of a weak neutron field that was about two orders of magnitude lower than that of the standard NR system. The neutron flux, calculated from the fluctuation of the neutron response of the images, was nearly equal to the value measured by the foil activation method. From this fact, the efficiency for the neutron detection of the imaging system was estimated to be almost 100%. For the purpose of developing a system with higher sensitivity, consideration of neutron statistics ...

1994-08-01

359

Development of the high sensitivity real-time neutron radiography for low-flux neutron sources  

International Nuclear Information System (INIS)

The authors have developed a high-sensitivity real-time neutron radiography (NR) system by the use of the low power reactor of Kinki University. The system was constructed with a high efficiency neutron-photon converter, an image intensifier and a SIT TELEVISION camera. Some digital image processing techniques were applied for improving the quality of the real-time neutron images. By the use of this system, dynamic neutron imaging was performed successfully under the condition of a weak neutron field that was about two orders of magnitude lower than that of the standard NR system. The neutron flux, calculated from the fluctuation of the neutron response of the images, was nearly equal to the value measured by the foil activation method. From this fact, the efficiency for the neutron detection of the imaging system was estimated to be almost 100%. For the purpose of developing a system with higher sensitivity, consideration of neutron statistics ...

1994-01-01

360

Development of Seismic Analysis Model and Time History Analysis for KALIMER-600  

Energy Technology Data Exchange (ETDEWEB)

This report describes a simple seismic analysis model of the KALIMER-600 sodium cooled fast reactor and its application to the seismic time history analysis. To develop the simple seismic analysis model, the detailed 3-D finite element analyses for main components, IHTS piping system, and reactor building were carried out to verify the dynamic characteristics of each part of simple seismic analysis models. By using the developed simple model, the seismic time history analyses for both cases of a seismic isolation and non-isolation design of KALIMER-600 were performed. From the comparison of the calculated floor response spectrum, it is verified that the seismically isolated KALIMER-600 reactor building shows a great performance of a seismic isolation and assures a seismic integrity.

2007-02-15

361

Deterministic Chaos in Radon Time Variation  

International Nuclear Information System (INIS)

Radon concentrations were continuously measured outdoors, in living room and basement in 10-minute intervals for a month. The radon time series were analyzed by comparing algorithms to extract phase-space dynamical information. The application of fractal methods enabled to explore the chaotic nature of radon in the atmosphere. The computed fractal dimensions, such as Hurst exponent (H) from the rescaled range analysis, Lyapunov exponent (#lambda# ) and attractor dimension, provided estimates of the degree of chaotic behavior. The obtained low values of the Hurst exponent (0calculated fractal dimensions of attractors indicated more influencing (meteorological) parameters on radon in the atmosphere. ...

2003-04-09

362

Design of the electromagnetic actuator for vibration control of a flexible rotor  

Energy Technology Data Exchange (ETDEWEB)

In order to suppress resonance vibrations of a rotor-shaft of rotating machinery, a rotor-shaft system elastically supported by ball bearings which are installed in electromagnetic actuators are proposed and the design method of some compensatory circuits in the controller to control the electromagnetic actuators in the system are explained. These actuators are controlled by the analog PID (proportional, integral, and derivative) controller. The compensation for nonlinearity of electromagnetic force, the negative stiffness of electromagnet, and the time lag of the coil current are discussed and the effective control circuits are proposed. The rotor-shaft system is replaced by the equivalent two-degree-of-freedom system and both impulse and frequency responses are numerically simulated for several parameters of PD-controller gain. By applying the principle of dynamic absorbers, optimum parameters are calculated. The gains of the control circuit ...

1994-12-21

363

Density separation of combustion-derived soot and petrogenic graphitic black carbon: Quantification and isotopic characterization  

Energy Technology Data Exchange (ETDEWEB)

The black carbon continuum is composed of a series of carbon-rich components derived from combustion or metamorphism and characterized by contrasting environmental behavior and susceptibility to oxidation. In this work, we present a micro-scale density fractionation method that allows isolating the small quantities of soot-like and graphitic material usually found in natural samples. Organic carbon and {delta}{sup 13}C mass balance calculations were used to quantify the relative contributions of the two fractions to thermally-stable organic matter from a series of aquatic sediments. Varying proportions of soot-like and graphitic material were found in these samples, with large variations in {delta}{sup 13}C signatures suggesting important differences in their origin and/or dynamics in the environment.

2009-01-01

364

Bioprocess control from a multivariate process trajectory.  

Science.gov (United States)

A multivariate bioprocess control approach, capable of tracking a pre-set process trajectory correlated to the biomass or product concentration in the bioprocess is described. The trajectory was either a latent variable derived from multivariate statistical process monitoring (MSPC) based on partial least squares (PLS) modeling, or the absolute value of the process variable. In the control algorithm the substrate feed pump rate was calculated from on-line analyzer data. The only parameters needed were the substrate feed concentration and the substrate yield of the growth-limiting substrate. On-line near-infrared spectroscopy data were used to demonstrate the performance of the control algorithm on an Escherichia coli fed-batch cultivation for tryptophan production. The controller showed good ability to track a defined biomass trajectory during varying process dynamics. The robustness of the control was high, despite significant external ...

2003-09-05

365

Atomic scale simulations of arsenic ion implantation and annealing in silicon  

International Nuclear Information System (INIS)

We present results of multiple-time-scale simulations of 5, 10 and 15 keV low temperature ion implantation of arsenic on silicon (100), followed by high temperature anneals. The simulations start with a molecular dynamics (MD) calculation of the primary state of damage after 10ps. The results are then coupled to a kinetic Monte Carlo (MC) simulation of bulk defect diffusion and clustering. Dose accumulation is achieved considering that at low temperatures the damage produced in the lattice is stable. After the desired dose is accumulated, the system is annealed at 800 degrees C for several seconds. The results provide information on the evolution for the damage microstructure over macroscopic length and time scales and affords direct comparison to experimental results. We discuss the database of inputs to the MC model and how it affects the diffusion process.

2004-12-15

366

An adaptive power system stabilizer based on the self-optimizing pole shifting control strategy  

Energy Technology Data Exchange (ETDEWEB)

An adaptive power system stabilizer (APSS) employing a new self-optimizing pole shifting control strategy and its application to a power system are described in this paper. Based on an identified model of the system, the control is computed by an algorithm which shifts the closed-loop poles of the system to some optimal locations inside the unit circle in the z-domain to minimize a given performance criterion. With the self-optimization property, outside intervention in the controller design procedure is minimized, thus simplifying the tuning procedure during commissioning. Also, a new method of calculating the variable forgetting factor in real-time parameter identification is discussed. Studies show that the proposed APSS can provide good damping of the power system over a wide operating range and significantly improve the dynamic performance of the system.

1993-12-01

367

A numerical investigation of scale-up effects on coke yields of a thermal cracking Riser reactor  

Energy Technology Data Exchange (ETDEWEB)

A validated computational fluid dynamics (CFD) computer code, ICRKFLO, was used to investigate the scale-up effects on the coke yields of thermal cracking riser factors. Comparisons were made for calculated coke yields of pilot- and commercial-scales riser units. Computational results show that the riser aspect ratio, reaction temperature, particle residence time, and particle/oil ratio have major impacts on the coke yield. A computational experiment was conducted to determine optimal operating conditions for a conceptual design of a commercial-scale riser unit. This experiment showed that the performance loss in scale-up from pilot to commercial scale may be almost completely recovered through optimizing the operating conditions after scale-up using the CFD simulations as a guide.

1995-05-01

368

Strong-Weak Coupling Duality in Quantum Mechanics  

CERN Document Server

We present a strong-weak coupling duality for quantum mechanical potentials. Similarly to what happens in quantum field theory, it relates two problems with inverse couplings, leading to a mapping of the strong coupling regime into the weak one, giving information from the nonperturbative region of the parameters space. It can be used to solve exactly power-type potentials and to extract deep information about the energy spectra of polynomial ones. We present a strong-weak coupling duality for quantum mechanical potentials. Similarly to what happens in quantum field theory, it relates two problems with inverse couplings, leading to a mapping of the strong coupling regime into the weak one, giving information from the nonperturbative region of the parameters space. It can be used to solve exactly power-type potentials and to extract deep information about the energy spectra of polynomial ones.

1996-01-01

369

Scalable quantum computing with atomic ensembles  

International Nuclear Information System (INIS)

Atomic ensembles, comprising clouds of atoms addressed by laser fields, provide an attractive system for both the storage of quantum information and the coherent conversion of quantum information between atomic and optical degrees of freedom. We describe a scheme for full-scale quantum computing with atomic ensembles, in which qubits are encoded in symmetric collective excitations of many atoms. We consider the most important sources of error-imperfect exciton-photon coupling and photon losses-and demonstrate that the scheme is extremely robust against these processes: the required photon emission and collection efficiency threshold is #approx#>86%. Our scheme uses similar methods to those already demonstrated experimentally in the context of quantum repeater schemes and yet has information processing capabilities far beyond those proposals.

2010-09-01

370

Irreversible Performance of a Quantum Harmonic Heat Engine  

CERN Document Server

The unavoidable irreversible losses of power in a heat engine are found to be of quantum origin. Following thermodynamic tradition a model quantum heat engine operating by the Otto cycle is analyzed. The working medium of the model is composed of an ensemble of harmonic oscillators. A link is established between the quantum observables and thermodynamical variables based on the concept of canonical invariance. These quantum variables are sufficient to determine the state of the system and with it all thermodynamical variables. Conditions for optimal work, power and entropy production show that maximum power is a compromise between the quasistatic limit of adiabatic following on the compression and expansion branches and a sudden limit of very short time allocation to these branches. At high temperatures and quasistatic operating conditions the efficiency at maximum power coincides with the ...

2006-01-01

371

In situ ligand exchange of thiol-capped CuInS2/ZnS quantum dots at growth stage without affecting luminescent characteristics  

British Library Electronic Table of Contents (United Kingdom)

An aliphatic thiol ligand of CuInS2/ZnS core/shell quantum dots is replaced with a hydroxyl-terminated thiol ligand by utilizing `on-off state' of ligands during growth stage of the quantum dots. After the ligand-exchange, negligible differences were observed on both photoluminescence spectrum and luminescent quantum efficiency. The reason for the high retention of luminescent efficiency comes from no local agglomeration and no surface deterioration of QDs. It is also observed that 70% of initial ligands are exchanged by the replacing ligand, determined by FT-IR and 1H NMR. The proposed method provides the quantum dots with an excellent dispersibility in polar solvents, supported by identical luminescence decay characteristics of the QDs.

2011-01-01

372

From Bargmann's superselection rule to quantum Newtonian spacetime  

CERN Document Server

Bargmann's superselection rule, which forbids the existence of superpositions of states with different mass and, therefore, implies the impossibility of describing unstable particles in non-relativistic quantum mechanics, arises as a consequence of demanding Galilean covariance of Schr\\"odinger's equation. However, the usual Galilean transformations inadequately describe the symmetries of non-relativistic quantum mechanics since they fail to take into account relativistic time contraction effects which can produce non-relativistic phases in the wavefunction. In this paper we describe the incompatibility between Bargmann's rule and Lorentz transformations in the low-velocities limit, we analyze its classical origin and we show that the Extended Galilei group characterizes better the symmetries of the theory. Furthermore, we claim that a proper description of non-relativistic quantum mechanics requires a modification of the ...

2011-01-01

373

An efficient quantum secure direct communication scheme with authentication  

Science.gov (United States)

In this paper an efficient quantum secure direct communication (QSDC) scheme with authentication is presented, which is based on quantum entanglement and polarized single photons. The present protocol uses Einstein-Podolsky-Rosen (EPR) pairs and polarized single photons in batches. A particle of the EPR pairs is retained in the sender's station, and the other is transmitted forth and back between the sender and the receiver, similar to the ``ping-pong'' QSDC protocol. According to the shared information beforehand, these two kinds of quantum states are mixed and then transmitted via a quantum channel. The EPR pairs are used to transmit secret messages and the polarized single photons used for authentication and eavesdropping check. Consequently, because of the dual contributions of the polarized single photons, no classical information is needed. The intrinsic efficiency and total efficiency are both 1 ...

2007-07-01

374

Solid state NMR, basic theory and recent progress for quadrupole nuclei with half-integer spin  

International Nuclear Information System (INIS)

This review describes the basic theory and some recently developed techniques for the study of quadrupole nuclei with half integer spins in powder materials. The latter is connected to the introduction of the double rotation (DOR) by A. Samoson et al. (1) and to the introduction of the multiple quantum magic-angle spinning (MQ MAS) technique by L. Frydman et. al. (2). For integer spins, especially the solid-state deuterium magnetic resonance, we refer to the review of G.L. Hoatson and R.L. Vold: ''"2H-NMR Spectroscopy of Solids and Liquid Crystals'' (3). For single crystals we refer to O. Kanert and M. Mehring: ''Static quadrupole effects in disordered cubic solids''(4) and we would like also to mention the ''classic'' review of M.H. Cohen and F. Reif: ''Quadrupole effects in NMR studies of solids'' (5). Some more recent reviews in the field under study are D. Freude and J. Haase ''Quadrupole effects in solid-state NMR'' (6). Ch. Jager: ''Satellite Transition ...

1998-12-01

375

On the Gravito-Electromagnetic Analogy  

International Nuclear Information System (INIS)

Earlier research by Zel'manov and by Hoenl and Dehnen has shown how the geodesic equation for a charged test particle can be written as a Lorentz force law in which the four-velocity u"i of an observer in the physical three-space #gamma#_#alpha#_#beta# = -g_#alpha#_#beta# + g_0_#alpha# g_0_#beta# / g_0_0 is regarded as a gravitational vector potential. Analysing this analogy further, we write the four ("i_0) components of the Einstein equations in a form resembling a non-linear Maxwell system, which, for a stationary field, is most clearly understood from the Kaluza-Klein perspective, the projection being from four dimensions to three, rather than from five dimensions to four. For the vacuum theory defined by vanishing energy-momentum tensor, T_i_j = 0, these equations exhibit the structure of a non-linear sigma model, found by Ernst, and investigated by Gibbons and Hawking and by Sanchez, the scalar potentials of which we here relate to the gravito-electromagnetic fields. The ...

2011-08-01

381

Dynamic Analysis and Qualification Test of Nuclear Components.  

Science.gov (United States)

This report contains the study on the dynamic characteristics of Wolsung fuel rod and on the dynamic balancing of rotating machinery to evaluate the performance of nuclear reactor components. The study on the dynamic characteristics of Wolsung fuel rod wa...

1981-01-01

383

Thermodynamics in a turbocharged direct injection diesel engine  

Energy Technology Data Exchange (ETDEWEB)

Software has been developed for the calculation of the thermodynamic cycle and the entropy changes in a turbocharged, direct injection, diesel engine based upon the measured cylinder pressure and a shaft encoder output. Assumptions of homogeneous mixture and equilibrium thermodynamic properties are made for the products of combustion and temporal variation in the fluid thermodynamic state is followed in a quasi-steady manner through a series of adjacent equilibrium states, each separated by finite intervals of one degree crank angle (1degCA). The thermodynamic properties are calculated by either of two equivalent formulations -- equilibrium constant or minimisation of Gibbs free energy, and are expressed in algebraic equations of the partial derivative of internal energy and gas constant with respect to temperature, pressure and equivalence ratio. The effect of the engine operating conditions on the thermodynamic cycle is studied, Results show ...

1998-02-01

384

Theoretical study of asymmetric molecular-frame photoelectron angular distributions for C 1s photoejection from CO2  

Energy Technology Data Exchange (ETDEWEB)

We report the results of ab initio calculations of cross sections and molecular-frame photoelectron angular distributions for C 1s ionization of CO2, and propose a mechanism for the recently observed asymmetry of those angular distributions with respect to the CO^+and O^+ions produced by subsequent Auger decay. The fixed-nuclei, photoionization amplitudes were constructed using variationally obtained electron-molecular ion scattering wave functions. We have also carried out electronic structure calculations which identify a dissociative state of the CO2^++ dication that is likely populated following Auger decay and which leads to O^+ + CO^+ fragment ions. We show that a proper accounting of vibrational motion in the computation of the photoelectron angular distributions, along with reasonable assumptions about the nuclear dissociation dynamics, gives results in good agreement with recent experimental observations. We also ...

2009-02-18

385

Study on seismic stability of seawall in man-made island. Pt. 4. Deformation analysis of seawall during earthquake by DEM-FEM coupled analysis method (SEAWALL-2D)  

Energy Technology Data Exchange (ETDEWEB)

In the development of the man-made island siting technology of nuclear power plants, assessing the stability of the seawall against large ocean waves and earthquakes is indispensable. Concerning with the seismic stability of the seawall, prediction of the deformation like sliding and settlement of the seawall during earthquake including the armour units in front of the caisson becomes important factor. For this purpose, the authors have developed the two-dimensional DEM-FEM coupled analysis method (SEAWALL-2D) to predict the deformation of the seawall covered with the armour units during earthquake. In this method, movements of the armour units are calculated in DEM analysis part and deformation of the caisson, rubble moundsand seabed and back fill are calculated in FEM analysis part taking the nonlinearity of the soil materials based on the effective stress into account. Numerical simulations of dynamic centrifuge model ...

1999-02-01

386

Process model for carbothermic production of silicon metal  

Energy Technology Data Exchange (ETDEWEB)

This thesis discusses an advanced dynamical two-dimensional cylinder symmetric model for the high temperature part of the carbothermic silicon metal process, and its computer encoding. The situation close to that which is believed to exist around one of three electrodes in full-scale industrial furnaces is modelled. This area comprises a gas filled cavity surrounding the lower tip of the electrode, the metal pool underneath and the lower parts of the materials above. The most important phenomena included are: Heterogeneous chemical reactions taking place in the high-temperature zone (above 1860 {sup o}C), Evaporation and condensation of silicon, Transport of materials by dripping, Turbulent or laminar fluid flow, DC electric arcs, Heat transport by convection, conduction and radiation. The results from the calculations, such as production rates, gas- and temperature distributions, furnace- and particle geometries, fluid flow fields etc, are ...

1995-09-12

387

Novel recombinant insulin analogue with flexible C-terminus in B chain. NMR structure of biosynthetic engineered A22^G-B31^K-B32^R human insulin monomer in water/acetonitrile solution  

British Library Electronic Table of Contents (United Kingdom)

A tertiary structure of recombinant A22^G-B31^K-B32^R-human insulin monomer (insulin GKR) has been characterized by ^1H, ^1^3C NMR at natural isotopic abundance using NOESY, TOCSY, ^1H/^1^3C-GHSQC, and ^1H/^1^3C-GHSQC-TOCSY spectra. Translational diffusion studies indicate the monomer structure in water/acetonitrile (65/35vol.%). CSI analysis confirms existence of secondary structure motifs present in human insulin standard (HIS). Both techniques allow to establish that in this solvent recombinant insulin GKR exists as a monomer. Starting from structures calculated by the program CYANA, two different refinement protocols used molecular dynamics simulated annealing with the program AMBER; in vacuum (AMBER_VC), and including a generalized Born solvent model (AMBER_GB). From these calculation...

2011-01-01

388

Influence of the inlet velocity profiles on the prediction of velocity distribution inside an electrostatic precipitator  

Energy Technology Data Exchange (ETDEWEB)

The influence of the velocity profile at the inlet boundary on the simulation of air velocity distribution inside an electrostatic precipitator is presented in this study. Measurements and simulations were performed in a duct and an electrostatic precipitator (ESP). A four-hole cobra probe was used for the measurement of velocity distribution. The flow simulation was performed by using the computational fluid dynamics (CFD) code FLUENT. Numerical calculations for the air flow were carried out by solving the Reynolds-averaged Navier-Stokes equations coupled with the realizable k-{epsilon} turbulence model equations. Simulations were performed with two different velocity profiles at the inlet boundary - one with a uniform (ideal) velocity profile and the other with a non-uniform (real) velocity profile to demonstrate the effect of velocity inlet boundary condition on the flow simulation results inside an ESP. The real velocity profile was ...

2009-01-15

389

Direct measurement of the alpha-epsilon transition stress and kinetics for shocked iron  

Energy Technology Data Exchange (ETDEWEB)

Iron undergoes a polymorphic phase transformation from alpha phase (bcc) to the epsilon phase (hcp) when compressed to stresses exceeding 13 CPa. Bccause the epsilon phase is denser than the alpha phase, a single shock wave is unstable and breaks up into an elastic wave, a plastic wave, and a phase transition wave. Examination of this structured wave coupled with various phase transformation models has been used to indirectly examine the transition kinetics. Recently, multimillion atom simulations (molecular dynamics) have been used to examine the shock-induced transition in single crystal iron illustrating an orientation dependence of the transition stress, mechanisms, and kinetics. The objective of the current work was to perform plate impact experiments to examine the shock-response of polycrystalline and single crystal iron with nanosecond resolution for impact stresses spanning the {alpha} - {epsilon} transition. The current data reveal an orientation ...

2009-01-01

390

Diffractive deep inelastic scattering in an AdS/CFT inspired model: A phenomenological study  

International Nuclear Information System (INIS)

The analytical treatment of the nonperturbative QCD dynamics is one of the main open questions of the strong interactions. Currently, it is only possible to get some qualitative information about this regime considering other QCD-like theories, as, for example, the N=4 super Yang-Mills theory, where one can perform calculations in the nonperturbative limit of large 't Hooft coupling using the anti-de Sitter space/conformal field theory (AdS/CFT). Recently, the high energy scattering amplitude was calculated in the AdS/CFT approach, applied to deep-inelastic scattering and confronted with the F_2 HERA data. In this work we extend the nonperturbative AdS/CFT inspired model for diffractive processes and compare its predictions with a perturbative approach based on the Balitsky-Kovchegov equation. We demonstrate that the AdS/CFT inspired model is not able to describe the current F_2"D"("3") HERA data and predicts a similar ...

2010-05-01

391

B-spline methods for radial Dirac equations  

International Nuclear Information System (INIS)

Although B-spline techniques have been used to solve two-point boundary value problems with Dirac Hamiltonians for more than 20 years, the treatment of boundary conditions is still a matter of controversy. Spurious, non-physical, solutions are endemic when boundary conditions are not handled correctly. These pathological problems are absent when traditional finite difference methods are used as in computer packages such as GRASP. Accurate approximation using both finite differences and B-splines depends on controlling local approximation errors, and this common property suggests no a priori reason to suppose that B-spline algorithms should be more prone to generate spurious solutions. The relativistic Bloch operators of [24], when added to the Dirac differential operator, permit the construction of a self-adjoint differential operator for the two-point boundary value problem on a finite interval. Approximate solution of this problem exploiting the properties of B-splines in variational ...

2009-03-14

392

Aerodynamics of wind turbines  

Energy Technology Data Exchange (ETDEWEB)

Wind power is an increasingly significant renewable energy resource, producing no environmentally damaging C0{sub 2} emissions. The efficient production of electricity by wind turbines relies on aerodynamics: aerodynamics of wind turbines provides the fundamental solutions to efficient wind turbine design. Following a historical introduction, Part 1 of Aerodynamics of Wind Turbines is concerned with basic rotor aerodynamics, while Part 2 deals with structural aspects of the wind turbine and calculation of the loads on it. Topics covered include increasing mass flow through the turbine, performance at low and high wind speeds, assessment of the extreme conditions under which the turbine will perform and the theory for calculating the lifetime of the turbine. The classical Blade Element Momentum method is also covered, as are eigenmodes and the dynamic behaviour of a turbine. Aerodynamics of Wind Turbines is an essential ...

2000-06-15

393

Aerodynamics of wind turbines  

Energy Technology Data Exchange (ETDEWEB)

Wind power is an increasingly significant renewable energy resource, producing no environmentally damaging CO2 emissions. The efficient production of electricity by wind turbines relies on aerodynamics. Aerodynamics of Wind Turbines provides the fundamental solutions to efficient wind turbine design. Following a historical introduction, Part 1 of Aerodynamics of Wind Turbines is concerned with basic rotor aerodynamics, while Part 2 deals with structural aspects of the wind turbine and calculation of the loads on it. Topics covered include increasing mass flow through the turbine, performance at low and high wind speeds, assessment of the extreme conditions under which the turbine will perform and the theory for calculating the lifetime of the turbine. The classical Blade Element Momentum method is also covered, as are eigenmodes and the dynamic behaviour of a turbine. Aerodynamics of Wind Turbines is an essential reference ...

2001-01-01

394

Adaptive PSS using a simple on-line identifier and linear pole-shift controller  

Energy Technology Data Exchange (ETDEWEB)

Implementation of an adaptive power system stabilizer (APSS) and experimental studies are presented in this paper. The APSS consists of an adaptive linear element (ADALINE) based identifier that identifies the power system as a third-order discrete auto-regressive moving average (ARMA) model and a pole-shift controller. The ADALINE is modeled so that its weights have a one-to-one relationship with the ARMA model parameters. The weights are updated at each sampling interval to track the dynamic characteristics of the actual system. The on-line updated ARMA parameters are used in the PS control algorithm to calculate the new closed-loop poles of the system that are always inside the unit circle in the z-plane. The calculated control is such that it achieves regulation of the system to a constant setpoint in the shortest interval of time. Experimental studies on a physical model of power system verify that the proposed ...

2010-04-15

395

A Risk-Based Sensor Placement Methodology  

Energy Technology Data Exchange (ETDEWEB)

A risk-based sensor placement methodology is proposed to solve the problem of optimal location of sensors or detectors to protect population against the exposure to and effects of known and/or postulated chemical, biological, and/or radiological threats. Risk is calculated as a quantitative value representing population at risk from exposure against standard exposure levels. Historical meteorological data are used to characterize weather conditions as the frequency of wind speed and direction pairs. The meteorological data drive atmospheric transport and dispersion modeling of the threats, the results of which are used to calculate risk values. Sensor locations are determined via an iterative dynamic programming algorithm whereby threats captured or detected by sensors placed in prior stages are removed from consideration in subsequent stages. In addition to the risk-based placement algorithm, the proposed methodology ...

2008-10-01

396

Antiadiabatic control of Many Body Quantum Systems  

CERN Document Server

Classical control theory has played a major role in the development of present-day technologies. Likewise, recently developed quantum optimal control methods can be applied to emerging quantum technologies, e.g. quantum information processing -- until now, at the level of a few qubits. However, such methods encounter severe limits when applied to many-body quantum systems: due to the complexity of simulating the latter, existing quantum control algorithms (requiring many iterations to converge) usually fail to yield a desired final state within an acceptable computational time. In contrast, we present here a strategy for controlling a vast range of non-integrable one-dimensional systems that is efficiently applicable to quantum many-body systems, as it can be merged with state-of-the-art tensor network simulation methods like the Density Matrix Renormalization ...

2010-01-01

397

Risk analysis for the resident bald eagles of the lower Columbia River  

Energy Technology Data Exchange (ETDEWEB)

The resident bald eagles of the lower Columbia River have lower productivity and higher contaminant levels than other bald eagles of the Pacific Northwest. The primary population stressors are believed to be habitat loss, human disturbance, p,p{prime}DDE, PCBs, dioxins and furans. The primary effect of habitat loss is to reduce the carrying capacity of the region for nesting sites, and the primary effects of human disturbance and contamination by organic compounds are to reduce productivity. The purpose of this study was to quantitatively evaluate the effects of all of, these potential stressors on the bald eagle population dynamics. A model of the population dynamics was developed. The model structure includes a physiologically-based toxicokinetic (PBTK) submodel to estimate the degree of contamination, which is linked via a toxicology submodel to a population dynamics submodel. The PBTK submodel is time-variable, ...

1995-12-31

398

Metastability and dynamics of the shock-induced phase transition in iron  

Energy Technology Data Exchange (ETDEWEB)

The shock-induced {alpha}(bcc){r_arrow}{var_epsilon}(hcp) transition in iron begins at 13 GPa on the Hugoniot. In the two-phase region above 13 GPa, the Hugoniot lies well above the equilibrium surface defined by G{sub {alpha}}=G{sub {var_epsilon}}, with G the Gibbs free energy. Also, the phase transition relaxation time {tau} is uncertain, with estimates ranging from {lt}50 ns to {approx}180 ns. Here we present an extensive study of these important aspects, metastability and dynamics, of the {alpha}-{var_epsilon} transition in iron. Our primary theoretical tools are (a) accurate theoretically based free energies for {alpha} and {var_epsilon} phases of iron and (b) accurate calculations of the wave evolution following planar impacts. We define metastable surfaces for forward and reverse transitions by the condition that the thermodynamic driving force G{sub {alpha}}{minus}G{sub {var_epsilon}} is just balanced by an opposing force resulting from ...

1997-02-01

399

Computational fluid dynamic analysis of core bypass flow phenomena in a prismatic VHTR  

International Nuclear Information System (INIS)

The core bypass flow in a prismatic very high temperature reactor (VHTR) is an important design consideration and can have considerable impact on the condition of reactor core internals including fuels. The interstitial gaps are an inherent presence in the reactor core because of tolerances in manufacturing the blocks and the inexact nature of their installation. Furthermore, the geometry of the graphite blocks changes over the lifetime of the reactor because of thermal expansion and irradiation damage. The occurrence of hot spots in the core and lower plenum and hot streaking in the lower plenum (regions of very hot gas flow) are affected by bypass flow. In the present study, three-dimensional computational fluid dynamic (CFD) calculations of a typical prismatic VHTR are conducted to better understand bypass flow phenomena and establish an evaluation method for the reactor core using the commercial CFD code FLUENT. Parametric ...

2010-09-01

400

Computational Fluid Dynamic Analysis of Core Bypass Flow Phenomena in a Prismatic VHTR  

Energy Technology Data Exchange (ETDEWEB)

The core bypass flow in a prismatic very high temperature gas-cooled reactor (VHTR) is one of the important design considerations which impacts considerably on the integrity of reactor core internals including operating fuels. The interstitial gaps are an inherent presence in the reactor core because of tolerances in manufacturing the blocks and the inexact nature of their installation. Furthermore, the geometry of the graphite blocks changes over the lifetime of the reactor because of thermal expansion and irradiation damage. The occurrence of hot spots in the core and lower plenum and hot streaking in the lower plenum (regions of very hot gas flow) will be affected by the bypass flow. In the present study, three-dimensional computational fluid dynamic (CFD) calculations of a typical prismatic VHTR are conducted to understand better the bypass flow phenomenon and establish the evaluation method in the reactor core using commercial CFD code ...

2010-09-01

401

Dosimetric validation of the anisotropic analytical algorithm for photon dose calculation: fundamental characterization in water  

International Nuclear Information System (INIS)

In July 2005 a new algorithm was released by Varian Medical Systems for the Eclipse planning system and installed in our institute. It is the anisotropic analytical algorithm (AAA) for photon dose calculations, a convolution/superposition model for the first time implemented in a Varian planning system. It was therefore necessary to perform validation studies at different levels with a wide investigation approach. To validate the basic performances of the AAA, a detailed analysis of data computed by the AAA configuration algorithm was carried out and data were compared against measurements. To better appraise the performance of AAA and the capability of its configuration to tailor machine-specific characteristics, data obtained from the pencil beam convolution (PBC) algorithm implemented in Eclipse were also added in the comparison. Since the purpose of the paper is to address the basic performances of the AAA and of its configuration procedures, only data relative ...

2006-03-21

402

Clinical implementation of enhanced dynamic wedges into the Pinnacle treatment planning system: Monte Carlo validation and patient-specific QA  

International Nuclear Information System (INIS)

The goal of this work is to present a systematic Monte Carlo validation study on the clinical implementation of the enhanced dynamic wedges (EDWs) into the Pinnacle"3 (Philips Medical Systems, Fitchburg, WI) treatment planning system (TPS) and QA procedures for patient plan verification treated with EDWs. Modeling of EDW beams in the Pinnacle"3 TPS, which employs a collapsed-cone convolution superposition (CCCS) dose model, was based on a combination of measured open-beam data and the 'Golden Segmented Treatment Table' (GSTT) provided by Varian for each photon beam energy. To validate EDW models, dose profiles of 6 and 10 MV photon beams from a Clinac 2100 C/D were measured in virtual water at depths from near-surface to 30 cm for a wide range of field sizes and wedge angles using the Profiler 2 (Sun Nuclear Corporation, Melbourne, FL) diode array system. The EDW output factors (EDWOFs) for square fields from 4 to 20 cm wide were measured in virtual water using a ...

2009-01-21

403

Distribution of quantum information between an atom and two photons  

Energy Technology Data Exchange (ETDEWEB)

The construction of networks consisting of optically interconnected processing units is a promising way to scale up quantum information processing systems. To store quantum information, single trapped atoms are among the most proven candidates. By placing them in high finesse optical resonators, a bidirectional information exchange between the atoms and photons becomes possible with, in principle, unit efficiency. Such an interface between stationary and ying qubits constitutes a possible node of a future quantum network. The results presented in this thesis demonstrate the prospects of a quantum interface consisting of a single atom trapped within the mode of a high-finesse optical cavity. In a two-step process, we distribute entanglement between the stored atom and two subsequently emitted single photons. The long atom trapping times achieved in the system together with the high photon collection ...

2008-11-03

404

Quantum geometrodynamics of the Bianchi IX cosmological model  

Energy Technology Data Exchange (ETDEWEB)

The canonical quantum theory of gravity-quantum geometrodynamics (QG)-is applied to the homogeneous Bianchi type IX cosmological model. As a result, a framework for the quantum theory of homogeneous cosmologies is developed. We show that the theory is internally consistent and prove that it possesses the correct classical limit (the theory of general relativity). To emphasize the special role that the constraints play in this new theory, we compare it to the traditional ADM square-root and Wheeler-DeWitt quantization schemes. We show that, unlike traditional approaches, QG leads to a well-defined Schroedinger equation for the wavefunction of the universe that is inherently coupled to the expectation value of the constraint equations. This coupling to the constraints is responsible for the appearance of a coherent spacetime picture. Thus, the physical meaning of the constraints of the theory is quite different from ...

2006-07-01

405

Quantum geometrodynamics of the Bianchi IX cosmological model  

International Nuclear Information System (INIS)

The canonical quantum theory of gravity-quantum geometrodynamics (QG)-is applied to the homogeneous Bianchi type IX cosmological model. As a result, a framework for the quantum theory of homogeneous cosmologies is developed. We show that the theory is internally consistent and prove that it possesses the correct classical limit (the theory of general relativity). To emphasize the special role that the constraints play in this new theory, we compare it to the traditional ADM square-root and Wheeler-DeWitt quantization schemes. We show that, unlike traditional approaches, QG leads to a well-defined Schroedinger equation for the wavefunction of the universe that is inherently coupled to the expectation value of the constraint equations. This coupling to the constraints is responsible for the appearance of a coherent spacetime picture. Thus, the physical meaning of the constraints of the theory is quite different from Dirac's ...

2006-07-01

406

Quantum Transition State Theory for proton transfer reactions in enzymes  

CERN Document Server

We consider the role of quantum effects in the transfer of hyrogen-like species in enzyme-catalysed reactions. This study is stimulated by claims that the observed magnitude and temperature dependence of kinetic isotope effects imply that quantum tunneling below the energy barrier associated with the transition state significantly enhances the reaction rate in many enzymes. We use a path integral approach which provides a general framework to understand tunneling in a quantum system which interacts with an environment at non-zero temperature. Here the quantum system is the active site of the enzyme and the environment is the surrounding protein and water. Tunneling well below the barrier only occurs for temperatures less than a temperature $T_0$ which is determined by the curvature of potential energy surface near the top of the barrier. We argue that for most enzymes this temperature is less than room ...

2009-01-01

407

Models of continuous-variable quantum computing  

Energy Technology Data Exchange (ETDEWEB)

We discuss strictly efficient models for measurement-based quantum computing using physical continuous variables, such as field modes of light. Such measurement-based quantum computing (MBQC) provides a promising paradigm for quantum computation as it does not require performing unitary gates during the computation, but rather appropriate readout. Here, we introduce novel schemes for which the resource state can be reasonably and efficiently prepared, and which notably do not require having infinite squeezing or mean energy available. What is more, error correction techniques are implementable, as the logical information is stored in finite-dimensional objects grasping correlations of the quantum states. Using the ideas of computational tensor networks we discuss how to sequentially prepare suitable physical resource states with cavity QED or with non-linear optics and how to efficiently implement a ...

2009-07-01

408

Lab-Tutorials for teaching quantum physics (Lab-Tutorials fuer den Quantenphysik Unterricht)  

CERN Document Server

English abstract: In the "Intuitive Quantum Physics" course, we use graphical interpretations of mathematical equations and qualitative reasoning to develop and teach a simplified model of quantum physics. Our course contains three units: Wave physics, Development of a conceptual toolbox, and quantum physics. It also contains three key themes: wave-particle duality, the Schroedinger equation, and tunneling of quantum particles. Students learn most new material in lab-tutorials in which students work in small groups (3 to 3 people) on specially designed worksheets. Lecture reinforces the lab-tutorial content and focuses more on issues about the nature of science. Data show that students are able to learn some of the most difficult concepts in the course, and also that students learn to believe that there is a conceptually accessible structure to the physics in the course. German abstract: Im Kurs ...

2006-01-01

409

Algebraic Principles of Quantum Field Theory II: Quantum Coordinates and WDVV Equation  

CERN Document Server

This paper is about algebro-geometrical structures on a moduli space $\\CM$ of anomaly-free BV QFTs with finite number of inequivalent observables or in a finite superselection sector. We show that $\\CM$ has the structure of F-manifold -- a linear pencil of torsion-free flat connection with unity on the tangent space, in quantum coordinates. We study the notion of quantum coordinates for the family of QFTs, which determines the connection 1-form as well as every quantum correlation function of the family in terms of the 1-point functions of the initial theory. We then define free energy for an unital BV QFT and show that it is another avatar of morphism of QFT algebra. These results are consequences of the solvability of refined quantum master equation of the theory. We also introduce the notion of a QFT integral and study some properties of BV QFT equipped with a QFT integral. We show that BV QFT with ...

2011-01-01

410

Synthesis of histidine-stabilized cadmium sulfide quantum dots: Study of their fluorescence behaviour in the presence of adenine and guanine  

British Library Electronic Table of Contents (United Kingdom)

Cadmium sulfide particles have been synthesized in the aqueous medium using the amino acid histidine as a stabilizing agent. These particles demonstrate the phenomenon of size quantization effect. The fluorescence of histidine-stabilized CdS was found to be enhanced and quenched by the addition of DNA bases adenine and guanine, respectively. The fluorescence enhancement of CdS in the presence of adenine has been explained on the basis of interaction between the quantum dot stabilizer and the amino group of adenine. Quenching of CdS fluorescence by guanine occurs due to interaction of the substrate with the quantum dot surface.

2010-01-01

411

Spin operator matrix elements in the quantum Ising chain: fermion approach  

CERN Document Server

Using some modification of the standard fermion technique we derive factorized formula for spin operator matrix elements (form-factors) between general eigenstates of the Hamiltonian of quantum Ising chain in a transverse field of finite length. The derivation is based on the approach recently used to derive factorized formula for Z_N-spin operator matrix elements between ground eigenstates of the Hamiltonian of the Z_N-symmetric superintegrable chiral Potts quantum chain. The obtained factorized formulas for the matrix elements of Ising chain coincide with the corresponding expressions obtained by the Separation of Variables Method.

2010-01-01

412

Simple Proof of Security of the BB84 Quantum Key Distribution Protocol  

Energy Technology Data Exchange (ETDEWEB)

We prove that the 1984 protocol of Bennett and Brassard (BB84) for quantum key distribution is secure. We first give a key distribution protocol based on entanglement purification, which can be proven secure using methods from Lo and Chau's proof of security for a similar protocol. We then show that the security of this protocol implies the security of BB84. The entanglement purification based protocol uses Calderbank-Shor-Steane codes, and properties of these codes are used to remove the use of quantum computation from the Lo-Chau protocol. (c) 2000 The American Physical Society.

2000-07-10

413

SU(2) potentials in quantum gravity  

CERN Document Server

We present investigations of the potential between static charges from a simulation of quantum gravity coupled to an SU(2) gauge field on 6^{3}\\times 4 and 8^{3}\\times 4 simplicial lattices. In the well-defined phase of the gravity sector where geometrical expectation values are stable, we study the correlations of Polyakov loops and extract the corresponding potentials between a source and sink separated by a distance R. In the confined phase, the potential has a linear form while in the deconfined phase, a screened Coulombic behavior is found. Our results indicate that quantum gravitational effects do not destroy confinement due to non-abelian gauge fields.

1994-01-01

414

Quantum theory of the interaction of Josephson junctions with non-classical microwaves  

Energy Technology Data Exchange (ETDEWEB)

We present a study of the interaction between Josephson junctions in circular superconducting rings and non-classical microwaves, treating both quantum mechanically. A Hamiltonian that describes both inductive and capacitive coupling between the two systems is derived within the external field approximation. Other Hamiltonians which go beyond the external field approximation, and describe explicitly the interaction of the quantum circuit that produces the non-classical microwaves with the Josephson junction circuit, are also presented. A comparison between current experiments which use classical electromagnetic fields and the proposed experiments that use non-classical microwaves, is made. (orig.) With 6 figs., 32 refs.

1997-01-01

415

Quantum electrodynamic and semiclassical interference effects in spontaneous radiation  

International Nuclear Information System (INIS)

The theory of spontaneous decay is studied using both quantum electrodynamics (QED) and semiclassical theories of radiation. There are qualitative differences between the theories in the prediction of interference phenomena. In QED, systems which were excited with pulsed laser light do not exhibit quantum interference effects associated with lower state splittings. On the other hand, semiclassical treatments of spontaneous decay do indicate the existence of interference effects not present in QED. In addition to this, differences are found between the predictions of fluorescence intensity in the presence of lower-state level crossings under continuous excitation. (U.S.).

1975-01-01

416

Quantum Computation with Nonlinear Optics  

International Nuclear Information System (INIS)

We propose a scheme of quantum computation with nonlinear quantum optics. Polarization states of photons are used for qubits. Photons with different frequencies represent different qubits. Single qubit rotation operation is implemented through optical elements like the Faraday polarization rotator. Photons are separated into different optical paths, or merged into a single optical path using dichromatic mirrors. The controlled-NOT gate between two qubits is implemented by the proper combination of parametric up and down conversions. This scheme has the following features: (1) No auxiliary qubits are required in the controlled-NOT gate operation; (2) No measurement is required in the course of the computation; (3) It is resource efficient and conceptually simple.

2008-01-15

417

Observational constraints on loop quantum cosmology  

CERN Document Server

In the inflationary scenario of loop quantum cosmology (LQC) in the presence of inverse-volume corrections, we give analytic formulas for the power spectra of scalar and tensor perturbations convenient to confront with observations. Since inverse-volume corrections can provide strong contributions to the running spectral indices, inclusion of terms higher than the second-order runnings in the power spectra is crucially important. Using the recent data of cosmic microwave background (CMB) and other cosmological experiments, we place bounds on the quantum corrections for a quadratic inflaton potential.

2011-01-01

418

Molecular models in the quantum-chemical investigation of the structure of defect centers on oxide catalysts  

Energy Technology Data Exchange (ETDEWEB)

Several possibilities of the use of molecular models in quantum-chemical investigations of the structure of defect centers on the surfaces of oxides on nontransition elements have been illustrated. There has been a special discussion of the assumption of the local nature of the chemical interactions in these systems, which underlies such an approach, and of the consequent laws governing the formation of their lattices in the example cases of zeolites, kaolinites, and comparable boron- and aluminum-containing oxides. A quantum-chemical interpretation of the body of experimental data from investigations of the dehydroxylation of H forms of zeolites has been given. The structure of the Lewis acid centers formed as a result, and their chemisorption properties, have been discussed.

1987-05-01

419

Incompatibility of the Copenhagen interpretation with quantum formalism and its reasons  

CERN Document Server

It is proved the mathematical theorem, that the wave function describes the statistical ensemble of particles, but not a single particle. Supposition, that the wave function describes a single particle appears to be incompatible with formalism of quantum mechanics. One discusses the reasons, why this very simple statement has not been proved mathematically for many years. The reason lies in application of the trial and error methods for construction of the quantum mechanics. Application of this method as the main tool of investigation during eighty years generated "fitting mentality" of all microwold researchers.

2006-01-01

420

Electrodynamical and quantum-chemical approaches to modeling the electrochemical and catalytic processes on metals, metal alloys, and semiconductors  

British Library Electronic Table of Contents (United Kingdom)

A problem of the catalytic activity definition for metals, binary metallic alloys, and semiconductor materials is considered within new quantum mechanical and electrodynamics approach in the electron theory of catalysis. The quantitative link between the electron structure parameters of the materials and their catalytic activity on example of simple model reactions of the following type are found: H = H+ + e, O2 + e- = O2-. Copyright 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2009

2009-01-01

421

Effective Constraints for Quantum Systems  

CERN Document Server

An effective formalism for quantum constrained systems is presented which allows manageable derivations of solutions and observables, including a treatment of physical reality conditions without requiring full knowledge of the physical inner product. Instead of a state equation from a constraint operator, an infinite system of constraint functions on the quantum phase space of expectation values and moments of states is used. The examples of linear constraints as well as the free non-relativistic particle in parameterized form illustrate how standard problems of constrained systems can be dealt with in this framework.

2008-01-01

422

Coherent state quantum key distribution with multi letter phase-shift keying  

International Nuclear Information System (INIS)

We present a protocol for quantum key distribution using discrete modulation of coherent states of light. Information is encoded in the variable phase of coherent states which can be chosen from a regular discrete set ranging from binary to continuous modulation similar to phase-shift keying in classical communication. Information is decoded by simultaneous homodyne measurement of both quadratures and requires no active choice of basis. The protocol utilizes either direct or reverse reconciliation both with and without postselection. We analyze the security of the protocol and show how to enhance it by the optimal choice of all variable parameters of the quantum signal.

2010-05-01

423

Capacity of a Simultaneous Quantum Secure Direct Communication Scheme between the Central Party and Other M Parties  

Science.gov (United States)

We analyse the capacity of a simultaneous quantum secure direct communication scheme between the central party and other M parties via M+1-particle GHZ states and swapping quantum entanglement. It is shown that the encoding scheme should be secret if other M parties wants to transmit M+1 bit classical messages to the centre party secretly. However, when the encoding scheme is announced publicly, we prove that the capacity of the scheme in transmitting the secret messages is 2 bits, no matter how large M is.

2006-10-01

424

The geometry emerging from the symmetries of a quantum system  

CERN Document Server

We investigate the relation between the symmetries of a quantum system and its topological quantum numbers, in a general C*-algebraic framework. We prove that, under suitable assumptions on the symmetry algebra, there exists a generalization of the Bloch-Floquet transform which induces a direct-integral decomposition of the algebra of observables. Such generalized transform selects uniquely the set of "continuous sections" in the direct integral, thus yielding a Hilbert bundle. The emerging geometric structure provides some topological invariants of the quantum system. Two running examples provide an Ariadne's thread through the paper. For the sake of completeness, we review two related theorems by von Neumann and Maurin and compare them with our result.

2009-01-01

425

Secure Direct Communication Based on Non-Orthogonal Entangled Pairs and Local Measurement  

Science.gov (United States)

We propose a quantum secure direct communication scheme based on non-orthogonal entangled pairs and local measurement. In this scheme, we use eight non-orthogonal entangled pairs to act as quantum channels. Due to the non-orthogonality of the quantum channels, the present protocol can availably prohibit from all kinds of valid eavesdropping and acquire a secure quantum channel. By local measurement, the sender acquires a secret random sequence. The process of encoding on the random sequence is identical to the one in one-time-pad. So the present protocol is secure. Even for a highly lossy channel, our scheme is also valid. The scheme is feasible with present-day techniques.

2008-12-01

426

Quasienergy description of the driven Jaynes-Cummings model  

CERN Document Server

We analyze the driven resonantly coupled Jaynes-Cummings model in terms of a quasienergy approach by switching to a frame rotating with the external modulation frequency and by using the dressed atom picture. A quasienergy surface in phase space emerges whose level spacing is governed by a rescaled effective Planck constant. Moreover, the well-known multiphoton transitions can be reinterpreted as resonant tunneling transitions from the local maximum of the quasienergy surface. Most importantly, the driving defines a quasienergy well which is nonperturbative in nature. The quantum mechanical quasienergy state localized at its bottom is squeezed. In the Purcell limited regime, the potential well is metastable and the effective local temperature close to its minimum is uniquely determined by the squeezing factor. The activation occurs in this case via dressed spin flip transitions rather than via quantum activation as in other driven nonlinear ...

2010-01-01

427

Quantum dot micropillars  

International Nuclear Information System (INIS)

This topical review provides an overview of quantum dot micropillars and their application in cavity quantum electrodynamics (cQED) experiments. The development of quantum dot micropillars is motivated by the study of fundamental cQED effects in solid state and their exploitation in novel light sources. In general, light-matter interaction occurs when the dipole of an emitter couples to the ambient light field. The corresponding coupling strength is strongly enhanced in the framework of cQED when the emitter is located inside a low mode volume microcavity providing three-dimensional photon confinement on a length scale of the photon wavelength. In addition, coherent coupling between light and matter, which is essential for applications in quantum information processing, can be achieved when dissipative losses, predominantly due to photon leakage out of the cavity, are strongly reduced. In this paper, we ...

2010-01-27

428

Quantum Information Processing Using Local Control of ...  

Science.gov (United States)

... The insu- lation between gate and nanowire is the high-k dielectric HfO2, deposited by atomic layer depo- sition (ALD). ...

2006-12-31

429

Quantization of coupled 1D vector modes in integrated photonic waveguides  

International Nuclear Information System (INIS)

A quantum mechanical analysis of the guided light in integrated photonics waveguides is presented. The analysis is made starting from one-dimensional (1D) guided vector modes by taking into account the modal orthonormalization property on a cross section of an optical waveguide, the vector structure of the guided optical modes and the reversal-time symmetry in order to quantize the 1D vector modes and to derive the quantum momentum operator and the Heisenberg equations. The results provide a quantum-consistent formulation of the linear and nonlinear quantum light propagations as a function of forward and backward creation and annihilation operators in integrated photonics. As an illustration, an application to an integrated nonlinear directional coupler is given, that is, both the nonlinear momentum and the Heisenberg equations of the nonlinear coupler are derived.

2008-06-01

430

Photon shell game in three-resonator circuit quantum electrodynamics  

CERN Document Server

The generation and control of quantum states of light constitute fundamental tasks in cavity quantum electrodynamics (QED). The superconducting realization of cavity QED, circuit QED, enables on-chip microwave photonics, where superconducting qubits control and measure individual photon states. A long-standing issue in cavity QED is the coherent transfer of photons between two or more resonators. Here, we use circuit QED to implement a three-resonator architecture on a single chip, where the resonators are interconnected by two superconducting phase qubits. We use this circuit to shuffle one- and two-photon Fock states between the three resonators, and demonstrate qubit-mediated vacuum Rabi swaps between two resonators. This illustrates the potential for using multi-resonator circuits as photon quantum registries and for creating multipartite entanglement between delocalized bosonic modes.

2010-01-01

431

One-way quantum computing in a decoherence-free subspace  

Energy Technology Data Exchange (ETDEWEB)

We introduce a novel scheme for one-way quantum computing (QC) based on the use of information encoded qubits in an effective cluster state resource. With the correct encoding structure, we show that it is possible to protect the entangled resource from phase damping decoherence, where the effective cluster state can be described as residing in a decoherence-free subspace (DFS) of its supporting quantum system. One-way QC then requires either single or two-qubit adaptive measurements. As an example where this proposal can be realized, we describe an optical lattice set-up where the scheme provides robust quantum information processing. We also outline how one can adapt the model to provide protection from other types of decoherence.

2007-06-15

433

Image Smearing in a Quantum Well Infrared Photodetector ...  

Science.gov (United States)

... Assuming isotropic emission, the 25' half angle cone represents only -9% [= 1/(2(ngaas/nopticglue) 2)] of the spontaneous radiation. ...

1998-12-01

434

High power GaInP-AlGaInP quantum-well lasers grown by solid source molecular beam epitaxy  

Science.gov (United States)

AlGaInP-based quantum-well laser diodes operating at wavelengths near 680 nm have been grown by all solid source molecular beam epitaxy (SSMBE). The lowest room temperature threshold current densities obtained from shallow rid structures were 300 A/cm{sup 2} and 330 A/cm{sup 2} for pulsed and continuous wave operation, respectively. The dependences of the differential quantum efficiency and threshold current density on the cavity length were also studied in this preliminary SSMBE work. The internal quantum efficiency of 87--89% and the internal losses of 7--10 cm{sup {minus}1} were obtained.

1996-03-01

435

Generation of number-phase minimum uncertainty states  

Energy Technology Data Exchange (ETDEWEB)

The difference between the two nonclassical lights, i.e., the squeezed state and number-phase minimum uncertainty state (NUS) is discussed. The four different generation principles for NUS are described. They are: unitary evolution using self-phase modulation; nonunitary state reduction by the first kind measurement; controlled state reduction by quantum correlation measurement-feedback, and high saturated laser oscillation with suppressed-pump-noise. The constant current-driven semiconductor laser based on the last principle generated the NUS with photon number noise reduced below the standard quantum limit by 40 percent in the entire frequency region from dc to 1.1 GHz. Several applications of NUS including quantum communication, quantum mechanical computers and interferometric gravitational detection are discussed briefly. This presentation is represented by viewgraphs only.

1987-01-01

436

Extended BRS symmetry in non-Abelian gauge theories  

Energy Technology Data Exchange (ETDEWEB)

In this paper, the superfield formulation of quantum gauge theories, recently proposed, is reviewed and developed. The extended BRS symmetry, which comes out quite naturally in this formulation, is investigated.

1981-08-01

437

Excitonic transitions in InGaP/InAlGaP strained quantum wells  

Science.gov (United States)

Excitonic transitions in metalorganic vapor phase epitaxially grown In[sub [ital x

1993-08-30

438

Causality Constrains Higher Curvature Corrections to Gravity  

CERN Document Server

We show that causality constrains the sign of quartic Riemann corrections to the Einstein-Hilbert action. Our constraint constitutes a restriction on candidate theories of quantum gravity.

2006-01-01

439

Brane-world Quantum Gravity  

CERN Document Server

The Arnowitt-Deser-Misner canonical formulation of general relativity is extended to the covariant brane-world theory in arbitrary dimensions. The exclusive probing of the extra dimensions makes a substantial difference, allowing for the construction of a non-constrained canonical theory. The quantum states of the brane-world geometry are defined by the Tomonaga-Schwinger equation, whose integrability conditions are determined by the classical perturbations of submanifolds contained in the Nash's differentiable embedding theorem. In principle, quantum brane-world theory can be tested by current experiments in astrophysics and by near future laboratory experiments at Tev energy. The implications to the black-hole information loss problem, to the accelerating cosmology, and to a quantum mathematical theory of four-sub manifolds are briefly commented.

2007-01-01

440

Black hole horizons from within loop quantum gravity  

CERN Document Server

In general relativity, the fields on a black hole horizon are obtained from those in the bulk by pullback and restriction. Similarly, in quantum gravity, the quantized horizon degrees of freedom should result from restricting, or pulling-back, the quantized bulk degrees of freedom. This is not yet fully realized in the - otherwise very successful - quantization of isolated horizons in loop quantum gravity. In this work we outline a setting in which the quantum horizon degrees of freedom are simply components of the quantized bulk degrees of freedom. There is no need to quantize them separately. We present evidence that for a horizon of sphere topology, the resulting horizon theory is remarkably similar to what has been found before.

2011-01-01

441

BPS Condensates, Matrix Models and Emergent String Theory  

CERN Document Server

A prescription is given for computing anomalous dimensions of single trace operators in SYM at strong coupling and large $N$ using a reduced model of matrix quantum mechanics. The method involves treating some parts of the operators as "BPS condensates" which, in certain limit, have a dual description as null geodesics on the $S^5$. In the gauge theory, the condensate is similar to a representative of the chiral ring and it is described by a background of commuting matrices. Excitations around these condensates correspond to excitations around this background and take the form of ``string bits" which are dual to the "giant magnons" of Hofman and Maldacena. In fact, the matrix model approach gives a {\\it quantum} description of these string configurations and explains why the infinite momentum limit suppresses the quantum effects. This method allows, not only to derive part of the classical sigma model Hamiltonian of the ...

2007-01-01

442

An algebraic approach to linear-optical schemes for deterministic quantum computing  

Energy Technology Data Exchange (ETDEWEB)

Linear-optical passive (LOP) devices and photon counters are sufficient to implement universal quantum computation with single photons, and particular schemes have already been proposed. In this paper we discuss the link between the algebraic structure of LOP transformations and quantum computing. We first show how to decompose the Fock space of N optical modes in finite-dimensional subspaces that are suitable for encoding strings of qubits and invariant under LOP transformations (these subspaces are related to the spaces of irreducible unitary representations of U (N). Next we show how to design in algorithmic fashion LOP circuits which implement any quantum circuit deterministically. We also present some simple examples, such as the circuits implementing a cNOT gate and a Bell state generator/analyser.

2005-12-01

443

A Quantum-Enhanced Prototype Gravitational-Wave Detector  

CERN Document Server

The quantum nature of the electromagnetic field imposes a fundamental limit on the sensitivity of optical precision measurements such as spectroscopy, microscopy, and interferometry. The so-called quantum limit is set by the zero-point fluctuations of the electromagnetic field, which constrain the precision with which optical signals can be measured. In the world of precision measurement, laser-interferometric gravitational wave (GW) detectors are the most sensitive position meters ever operated, capable of measuring distance changes on the order of 10^-18 m RMS over kilometer separations caused by GWs from astronomical sources. The sensitivity of currently operational and future GW detectors is limited by quantum optical noise. Here we demonstrate a 44% improvement in displacement sensitivity of a prototype GW detector with suspended quasi-free mirrors at frequencies where the sensitivity is shot-noise-limited, by ...

2008-01-01

444

Dynamic recrystallization behavior of a directionally solidified superalloy  

Energy Technology Data Exchange (ETDEWEB)

This paper investigates the dynamic recrystallization behavior of a directionally solidified (DS) nickel-base superalloy. The dynamic recrystallization occurs after the uncoated superalloy has been tested by tensile creep at elevated temperature for a long time. The dynamic recrystallization temperature is slightly lower than that of the static recrystallization. The dynamic recrystallization behavior of the DS superalloy below the static recrystallization temperature is mainly related to the high temperature oxidation and the free surface. (Abstract Copyright [2007], Wiley Periodicals, Inc.)

2007-10-15

445

Simulation of natural convection cooling phenomena for research reactors using the code PARET  

International Nuclear Information System (INIS)

This study deals with testing the capability of the code PARET to simulate natural convection cooling phenomena under different boundary conditions. In addition to applying and testing some new options related to simulation of the control rod movement and studying the reactivity effect of thermal expansion fuel elements. The experiments of the simple thermal hydraulic loop of Missouri university about natural cooling phenomena in two narrow paralled channels were used to validate the code. The study indicate good results regarding the distribution of coolant flux velocity and clad temperature. In particular the heat transfer coefficient of natural convection has been calculated in good agreement with the experiment. On the other hand, the core of MNSR reactor has been modelled to simulate the reactor dynamic behaviour under natural convection cooling conditions for different initial power level. The observed oscillation during the initial phase ...

446

HEXTRAN-SMABRE calculation of the 6th AER Benchmark, main steam line break in a WWER-440 NPP  

International Nuclear Information System (INIS)

The sixth AER benchmark is the second AER benchmark for couplings of the thermal hydraulic codes and three dimensional neutron kinetic core models. It concerns a double end break of one main steam line in a WWER-440 plant. The core is at the end of its first cycle in full power conditions. In VTT HEXTRAN2.9 is used for the core kinetics and dynamics and SMABRE4.8 as a thermal hydraulic model for the primary and secondary loop. The plant model for SMABRE consists mainly of two input models, Loviisa model and a standard WWER-440/213 plant model. The primary loop includes six separate loops, the pressure vessel is divided into six parallel channels in SMABRE and the whole core calculation is performed in the core with HEXTRAN. The horizontal steam generators are modelled with heat transfer tubes in five levels and vertically with two parts, riser and downcomer. With this kind of detailed modelling of steam generators there occurs strong flashing ...

2003-11-01

447

Electronic instabilities and the martensitic transition in A-15 compounds  

International Nuclear Information System (INIS)

The structural transition and anomalous properties of the high temperature A-15 superconductors have been investigated from two different standpoints. The first is a Landau theory based on Gorkov's physical model of a Peierls-like charge density wave (CDW) transition involving electronic CDW order parameters coupled to phonon coordinates. Pretransition elastic anomalies, softening of the [1 anti 10] transverse ([1 anti 10] polarized) phonon, sublattice distortions, variation of transition temperature with stress and alloying and other effects have been accurately predicted, and a detailed comparison is made with experimental results. Central peaks in neutron scattering are shown to be non-dynamic in nature and no pretransition forbidden (300) reflection is predicted. The GAMMA_1_2 optic mode does not go soft at the transition, though its frequency is expected to be temperature dependent right up to room temperature. A tight binding, two (3-D) band model of the A-15 ...

448

Nuclear radiation detectors on II-VI compounds  

International Nuclear Information System (INIS)

Nuclear radiation detectors in integral execution were produced by successive epitaxial growth from vapor phase of Zn Te and Cd Se thin layers onto scintillating Zn Se (Te) crystals. The irradiation of combined Zn Se (Te) - Zn Te - Cd Se detectors by Cu_K_a X-rays leads to the appearance of photoreceiver e.m.f., which tends to saturation with the increase of X-ray radiation dose reaching the value of 0.34-0.40 V at 200 R/min. The short circuit current dependence of irradiation dose power is linear. The matching factor for detectors with Zn Te-Cd Se photoreceivers with different doping levels is 0.68-0.92. The absolute monochromatic sensitivity is 0.32-0.35 m A/m W at a quantum efficiency 0.58-0.61 and a time constant 2 x 10"-"4 s. The calculated dose sensitivity for Zn Se(Te)-Zn Te-Cd Se combined detectors at the irradiation with X-rays having effective energy 8.86 keV gives the value 3.9 x 10"-"7 A/cm"2 (R/min); the experimental value of dose ...

1993-10-13

449

Chemistry of transuranium elements and compounds  

International Nuclear Information System (INIS)

Studies are made in this program to enhance our understanding of the role of 5f electrons in chemical bonding. Most of our studies on the macroscopic scale emphasize certain isotopes available from the National Transplutonium Production Program centered at HFIR/TRU -namely, _9_6"2"4"8Cm, _9_7"2"4"9Bk, _9_8"2"4"9Cf, _9_9"2"5"3Es, and _9_9"2"5"4Es. Particular classes of compounds, such as hydrides, chalcogenides, and pnictides are often selected for study on the basis of their utility in bringing out significant chemical differences between the lanthanides and the actinides. High temperature/high pressure experiments on actinide metals and compounds reveal characteristics about the degree of 5f electron localization as a function of atomic number in the series. Magnetic properties of metals and compounds are investigated using ultra-sensitive methods and hydration numbers of ions in solution are investigated by neutron scattering at HFIR. As a result of a recently renewed ...

1986-05-01

450

Acid/base and hydrogen bonding effects on the proton-coupled electron transfer of quinones and hydroquinones in acetonitrile: Mechanistic investigation by voltammetry, "1H NMR and computation  

International Nuclear Information System (INIS)

This report seeks to address the role of hydrogen bonding with Bronsted acids and bases in proton-coupled electron transfer (PCET) as it pertains to concerted or stepwise pathways of quinone (Q) and hydroquinone (QH_2) electrochemistry. This study was performed using a series of techniques that included cyclic voltammetry (CV), digital simulations, computational chemistry and "1H NMR. Hydrogen bonding was inferred by a decrease in diffusion coefficient (D) values measured using a pulsed gradient echo- (PGE-) "1H NMR technique. Changes of 40.8% and 37.9% in D values were only noted after the addition of two equivalents of acetate to 1,4-hydroquinone (1,4-QH_2) and catechol (1,2-QH_2), respectively. In contrast, the D values for the addition of selected amines (pyridine, N,N-diisopropylethylamine and triethylamine) changed only 3.2% on average. Quantum mechanical calculations were conducted to determine the pK_a of all quinoid species to serve as ...

2010-09-01

451

PROCEEDINGS OF RIKEN BNL RESEARCH CENTER WORKSHOP (VOL. 71)  

Energy Technology Data Exchange (ETDEWEB)

The high energy limit of Quantum Chromodynamics is one of the most fascinating areas in the theory of strong interactions. Over a decade ago the HERA experiment at DESY in Hamburg provided strong evidence for the rise of the proton structure function at small values of the Bjorken variable x. This behavior can be explained as an increase of the gluon density of the proton with energy or correspondingly with smaller values of x. This increase can be attributed on the other hand to the large probability of gluon splitting in QCD. The natural framework for describing the gluon dynamics at small x is the Balitskii-Fadin-Kuraev-Lipatov formalism developed some 30 years ago. It predicts that the gluon density grows very fast with increasing energy, as a power with a large intercept. This increase has to be tamed in order to satisfy the unitarily bound. Over two decades ago, Gribov, Levin and Ryskin proposed the mechanism called the parton saturation, ...

2005-03-07

452

Final technical report for ''Frontiers in Plasma Kinetic Theory''  

International Nuclear Information System (INIS)

This report summarizes the results and activities funded by this three-year award. The principal goal of this project was to determine the thermal conductivity in clusters of galaxies. Intracluster plasmas possess chaotic magnetic fields. Since charged particles are constrained to move primarily along magnetic field lines, the topology of intracluster magnetic fields slows particle diffusion relative to the non-magnetized case, thereby reducing the thermal conductivity. Our first approach to this problem was to employ the static-magnetic-field approximation. In reality, intracluster magnetic field lines are constantly moving, since they are advected by turbulent intracluster motions. The turbulent velocities, however, are much smaller than the rapid speeds of thermal electrons, which make the dominant contribution to the thermal conductivity. In the static-field approximation, one neglects turbulent motions of field lines, and calculates the diffusion coefficient ...

2007-02-01

453

X-radiation effects on muscle cell membrane electrical parameters  

International Nuclear Information System (INIS)

Early effects of 100 Kilorads of X-rays on muscle cell membrane properties have been measured in sartorius muscles from Leptodactylus ocellatus. Threshold strength for rectangular current pulses increased 10% after irradiation, and action potential propagation velocity decreased 10%. Passive membrane parameters were calculated from potential responses to sub-threshold current pulses, assuming conventional cable theory. Specific membrane conductance increased to 18% after irradiation, membrane capacitance increased 14%, and length constant decreased 10% but membrane time constant was unchanged. Cell diameter decreased 5%, and resting membrane potential decreased 8%. Membrane parameters during an action potential were also evaluated by the phase-plane and current-voltage plot techniques. Irradiation significantly decreased the action potential amplitude, the excitation potential, and the maximum rates of rise and fall of membrane potential. Increases were observed in ...

454

Verification of maximum impact force for interim storage cask for the Fast Flux Testing Facility  

Energy Technology Data Exchange (ETDEWEB)

The objective of this paper is to perform an impact analysis of the Interim Storage Cask (ISC) of the Fast Flux Test Facility (FFTF) for a 4-ft end drop. The ISC is a concrete cask used to store spent nuclear fuels. The analysis is to justify the impact force calculated by General Atomics (General Atomics, 1994) using the ILMOD computer code. ILMOD determines the maximum force developed by the concrete crushing which occurs when the drop energy has been absorbed. The maximum force, multiplied by the dynamic load factor (DLF), was used to determine the maximum g-level on the cask during a 4-ft end drop accident onto the heavily reinforced FFTF Reactor Service Building`s concrete surface. For the analysis, this surface was assumed to be unyielding and the cask absorbed all the drop energy. This conservative assumption simplified the modeling used to qualify the cask`s structural integrity for this accident condition.

1996-06-01

455

VAWT (Vertical-Axis Wind Turbine) stochastic loads produced by atmospheric turbulence  

Science.gov (United States)

Blade fatigue life is an important element in determining the economic viability of the Vertical-Axis Wind Turbine (VAWT). A principal source of blade fatigue is thought to be the stochastic (i.e., random) aerodynamic loads created by atmospheric turbulence. This paper discusses the development of a model for the simulation of these stochastic loads, given the rotor geometry, operating conditions, and assumed turbulence properties. A Double-Multiple-Streamtube analysis is employed, which includes the effects of wind shear. Reynolds number variations, different airfoil sections and chord lengths along the blade span, and an empirical model for dynamic stall effects. Calculations are presented for the VAWT 34-m Test Bed currently being assembled at Bushland, Texas. Time histories of the loads, as well as their Fourier spectra, are presented and discussed. An unexpected finding is that the average output power is predicted to be more sensitive to ...

1987-01-01

456

Two-phase flow studies  

Energy Technology Data Exchange (ETDEWEB)

The two-phase flow program is directed at understanding the hydrodynamics of two-phase flows. The two-phase flow regime is characterized by a series of flow patterns that are designated as bubble, slug, churn, and annular flow. Churn flow has received very little scientific attention. This lack of attention cannot be justified because calculations predict that the churn flow pattern will exist over a substantial portion of the two-phase flow zone in producing geothermal wells. The University of Houston is experimentally investigating the dynamics of churn flow and is measuring the holdup over the full range of flow space for which churn flow exists. These experiments are being conducted in an air/water vertical two-phase flow loop. Brown University has constructed and is operating a unique two-phase flow research facility specifically designed to address flow problems of relevance to the geothermal industry. An important feature of the facility ...

1983-12-01

457

Time-Dependent 2D Modeling of Magnetron Plasma Torch in Turbulent Flow  

International Nuclear Information System (INIS)

A theoretical model is presented to describe the electromagnetic, heat transfer and fluid flow phenomena within a magnetron plasma torch and in the resultant plume, by using a commercial computational fluid dynamics (CFD) code FLUENT. Specific calculations are presented for a pure argon system (i.e., an argon plasma discharging into an argon environment), operated in a turbulent mode. An important finding of this work is that the external axial magnetic field (AMF) may have a significant effect on the behavior of arc plasma and thus affects the resulting plume. The AMF impels the plasma to retract axially and expand radially. As a result, the plasma intensity distribution on the cross section of torch seems to be more uniform. Numerical results also show that with AMF, the highest plasma temperature decreases and the anode arc root moves upstream significantly, while the current density distribution at the anode is more concentrated with a ...

2008-06-01

458

Thermodynamic properties of carbosilane dendrimers of the third to the sixth generations with terminal butyl groups in the range from T->0 to 600K  

Energy Technology Data Exchange (ETDEWEB)

In the present work temperature dependences of heat capacity of carbosilane dendrimers with butyl terminal groups of the third and the fourth generations as well as of the fifth and the sixth generations have been determined first in the range from 6 to 340K and between 6 and 600K, respectively, by precision adiabatic vacuum and dynamic calorimetry. In the above temperature ranges the physical transformations have been detected and their thermodynamic characteristics have been estimated and analyzed. The experimental data were used to calculate standard thermodynamic functions, namely the heat capacity C{sub p}{sup o}(T), enthalpy H{sup o}(T)-H{sup o}(0), entropy S{sup o}(T)-S{sup o}(0) and Gibbs function G{sup o}(T)-H{sup o}(T), for the range from T->0 to (340-600)K. Linear dependences of changing the corresponding thermodynamic functions of the dendrimers on their molecular weight and the number of butyl groups on an outer sphere have ...

2006-01-15

459

Theoretical and experimental modelling of the gas droplet flow in premixing and pre-evaporation regions of gas turbine burners. Theoretische und experimentelle Modellierung der Gas-Tropfen-Stroemung in Vormisch-/Vorverdunstungszonen von Gasturbinenbrennern  

Energy Technology Data Exchange (ETDEWEB)

Precondition for the low-NO operation of gas turbine burners is the generation of as homogeneous as possible a gaseous fuel/air mixture. Such a burner behavior can be achieved by selective adaptation of the flow and injection. A computing model is introduced that calculates the dynamically balanced GASs/droplet flow through numerical solution of the transport equations in a curved orthogonal coordinate system. The feedback reaction of the fuel droplets to the gas phase is considered by source terms and/or sink terms. Test computations were carried out for comparison with analytical solutions from the flow mechanics and validated by comparison with measurement results. Droplet motion and evaporation were checked by means of published experimental results on single droplets. For the validation of the developed computing technique, model tests were carried out with water in place of fuel. It is pointed out that the choice of different parameters ...

1989-01-01

460

The effect of heat transfer augmentation on two-phase flow instabilities in a vertical boiling channel  

International Nuclear Information System (INIS)

Experimental and theoretical work have been carried out to find out the effects of heat transfer augmentation on two-phase flow instabilities in a single channel system. The effect of mass flow rate, heat input and inlet subcooling on the system behavior is studied using Freon-11 as the test fluid and six different heater surfaces are tested at various experimental conditions. Experimental evaluation is done using the steady-state pressure drop versus mass flow rate curves along with the curves of additional inlet pressure drop required to stabilize the system during the oscillations, and tables generated using the experimental data. Homogeneous equilibrium flow model and finite differences are used in theoretical analysis. An empirical relationship is obtained to calculate the pressure drop across the exit restriction. Characteristic equation for the system is found by linearizing the dynamic equations of the overall system and analyzed to ...

1985-11-01

461

Suppression of band crossing in the neutron-rich nuclei {sup 172,173}Yb due to the absence of a static pair field  

Energy Technology Data Exchange (ETDEWEB)

High-spin states in the neutron-rich nuclei {sup 172,173}Yb have been populated in a {sup 170}Er({sup 7}Li,(p,d,t)xn) incomplete-fusion reaction and the emitted {gamma}-radiation was detected with the GASP array. The signature partners of the 7/2{sup +}[633] rotational band of the odd-N {sup 173}Yb isotope have been newly established and were observed up to spin values of (45/2{sup +}) and (43/2{sup +}), respectively. The ground-state band of the even-even nucleus {sup 172}Yb has been observed up to a spin value of (22{sup +}). No band crossings were found in these bands. To explain this observation, it is proposed that the static pair field is absent, considering that the neutron odd-even mass differences reach for these nuclei very small values and that the band crossing is absent in cranked shell modell calculations without pairing. The results indicate, however, that strong dynamic correlations are still present. (orig.)

2005-10-01

462

Structural design and fabrication of the Sandia 34-meter Vertical Axis Wind Turbine  

Science.gov (United States)

The Wind Energy Research Division of Sandia National Laboratories has been funded by the Wind/Ocean Technology Division of the Department of Energy (DOE) to design and build a 34-meter diameter Vertical Axis Wind Turbine (VAWT). The turbine design incorporates the results of recent VAWT research in aerodynamics and structural dynamics. Initial system concept studies identified several blade options that met the required power rating of 500 kW. The final blade and rotor configurations were chosen based on finite element calculations that determined the turbine modes of response, their frequency of vibration, and stress levels. For parked survival turbine components were designed to with stand the loading of a 150 mph (67.0 m/s) wind coupled with maximum cable tensions. Specific areas of design discussed include the rotor, cables, bearings, brakes, and foundations. Construction of the turbine is in progress at this time and anticipated completion ...

1987-01-01

463

Solar system constraints on a Rindler-type extra-acceleration from modified gravity at large distances  

CERN Document Server

We analytically work out the orbital effects caused by a Rindlertype extra-acceleration ARin which naturally arises in some recent models of modified gravity at large distances. In particular, we focus on the perturbations induced by it on the two-body range {\\rho} and range-rate {\\rho}\\cdot which are commonly used in satellite and planetary investigations as primary observable quantities. The constraints obtained for ARin by comparing our calculations with the currently available range and range-rate residuals for some of the major bodies of the solar system, obtained without explicitly modeling ARin, are 1 - 2 \\times 10-13 m s-2 (Mercury and Venus), 1 \\times 10-14 m s-2 (Saturn), 1 \\times 10-15 m s-2 (Mars), while for a terrestrial Rindler acceleration we have 5 \\times 10-16 m s-2 (Moon). Another approach which could be followed consists of taking into account ARin in re-processing all the available data sets with accordingly modified ...

2010-01-01

464

Simulation of velocity profiles in a laboratory electrolyser using computational fluid dynamics  

International Nuclear Information System (INIS)

A commercial CFD code, Fluent, has been used to analyse the design of a filter-press reactor operating with characteristic linear flow velocities between 0.024 and 0.192 m s-1. Electrolyte flow through the reactor channel was numerically calculated using a finite volume approach to solve the Navier-Stokes equations. The length of the channel was divided into 7 sections corresponding to distances of 0, 0.01, 0.04, 0.08, 0.12, 0.14 and 0.15 m from the electrode edge nearest to the inlet. The depth of the channel was divided into three planes parallel to the channel bottom. For each channel section, a velocity profile was obtained at each depth together with the average velocity in each plane. The flow predictions show that the flow development, as the electrolyte passes through the cell, is strongly affected by the manifold causing strong vortex structures at the entrance and exit of the channel. Although the flow disturbances are a function of the flow rate, they ...

2010-04-01

465

Short term hydroelectric power system scheduling with wind turbine generators using the multi-pass iteration particle swarm optimization approach  

Energy Technology Data Exchange (ETDEWEB)

This paper uses multi-pass iteration particle swarm optimization (MIPSO) to solve short term hydroelectric generation scheduling of a power system with wind turbine generators. MIPSO is a new algorithm for solving nonlinear optimal scheduling problems. A new index called iteration best (IB) is incorporated into particle swarm optimization (PSO) to improve solution quality. The concept of multi-pass dynamic programming is applied to modify PSO further and improve computation efficiency. The feasible operational regions of the hydro units and pumped storage plants over the whole scheduling time range must be determined before applying MIPSO to the problem. Wind turbine power generation then shaves the power system load curves. Next, MIPSO calculates hydroelectric generation scheduling. It begins with a coarse time stage and searching space and refines the time interval between two time stages and the search spacing pass by pass (iteration). With ...

2008-04-15

466

Seal Monitoring System for an Explosive Containment Vessel  

Energy Technology Data Exchange (ETDEWEB)

Researchers at Lawrence Livermore National Laboratory are developing high-performance explosive firing vessels to contain (one time) explosive detonations that contain toxic metals and hazardous gases. The filament-wound polymer composite vessels are designed to contain up to 80 lb (TNT equivalent) explosive in a 2-meter sphere without leakage. So far, two half-scale (1-meter diameter) vessels have been tested; one up to 150% of the design explosive limit. Peak dynamic pressures in excess of 280 MPa (40 Ksi) in the vessel were calculated and measured. Results indicated that there was a small amount of gas and particle leakage past the first two of the seven o-ring seals. However, the remaining five seals prevented any transient leakage of the toxic gases and particulates out of the vessel. These results were later confirmed by visual inspection and particulate analysis of swipes taken from the sealing surfaces.

2004-06-28

467

Roper resonance and S{sub 11}(1535) from lattice QCD  

Energy Technology Data Exchange (ETDEWEB)

Using the constrained-curve fitting method and overlap fermions with the lowest pion mass at 180 MeV, we observe that the masses of the first positive and negative parity excited states of the nucleon tend to cross over as the quark masses are taken to the chiral limit. Both results at the physical pion mass agree with the experimental values of the Roper resonance (N{sup 1/2+}(1440)) and S{sub 11} (N{sup 1/2-}(1535)). This is seen for the first time in a lattice QCD calculation. These results are obtained on a quenched Iwasaki 16{sup 3}x28 lattice with a=0.2 fm. We also extract the ghost {eta}{sup '}N states (a quenched artifact) which are shown to decouple from the nucleon interpolation field above m{sub {pi}}{approx}300 MeV. From the quark mass dependence of these states in the chiral region, we conclude that spontaneously broken chiral symmetry dictates the dynamics of light quarks in the nucleon.

2005-01-06

468

Roper resonance and S_1_1(1535) from lattice QCD  

International Nuclear Information System (INIS)

Using the constrained-curve fitting method and overlap fermions with the lowest pion mass at 180 MeV, we observe that the masses of the first positive and negative parity excited states of the nucleon tend to cross over as the quark masses are taken to the chiral limit. Both results at the physical pion mass agree with the experimental values of the Roper resonance (N"1"/"2"+(1440)) and S_1_1 (N"1"/"2"-(1535)). This is seen for the first time in a lattice QCD calculation. These results are obtained on a quenched Iwasaki 16"3x28 lattice with a=0.2 fm. We also extract the ghost #eta#"'N states (a quenched artifact) which are shown to decouple from the nucleon interpolation field above m_#pi##approx#300 MeV. From the quark mass dependence of these states in the chiral region, we conclude that spontaneously broken chiral symmetry dictates the dynamics of light quarks in the nucleon.

2005-01-06

469

Roper resonance and S11(1535) from lattice QCD  

Energy Technology Data Exchange (ETDEWEB)

Using the constrained curve fitting method and overlap fermions with the lowest pion mass at 180 MeV, we observe that the masses of the first positive and negative parity excited states of the nucleon tend to cross over as the quark masses are taken to the chiral limit. Both results at the physical pion mass agree with the experimental values of the Roper resonance (N{sup 1/2+} (1440)) and S{sub 11} (N{sup 1/2-}(1535)). This is seen for the first time in a lattice QCD calculation. These results are obtained on a quenched Iwasaki 16{sup 3} x 28 lattice with a = 0.2 fm. We also extract the ghost {eta}{prime} N states (a quenched artifact) which are shown to decouple from the nucleon interpolation field above m{sub {pi}} {approx} 300 MeV. From the quark mass dependence of these states in the chiral region, we conclude that spontaneously broken chiral symmetry dictates the dynamics of light quarks in the nucleon.

2005-01-06

470

Roper resonance and S11(1535) from lattice QCD  

International Nuclear Information System (INIS)

Using the constrained curve fitting method and overlap fermions with the lowest pion mass at 180 MeV, we observe that the masses of the first positive and negative parity excited states of the nucleon tend to cross over as the quark masses are taken to the chiral limit. Both results at the physical pion mass agree with the experimental values of the Roper resonance (N"1"/"2"+ (1440)) and S_1_1 (N"1"/"2"-(1535)). This is seen for the first time in a lattice QCD calculation. These results are obtained on a quenched Iwasaki 16"3 x 28 lattice with a = 0.2 fm. We also extract the ghost #eta#(prime) N states (a quenched artifact) which are shown to decouple from the nucleon interpolation field above m_#pi# #approx# 300 MeV. From the quark mass dependence of these states in the chiral region, we conclude that spontaneously broken chiral symmetry dictates the dynamics of light quarks in the nucleon.

471

Renewable natural fats and their derivatives as source of fuels. 1. Physical properties of vegetable oil and farm engines diesel fuel mixtures  

Energy Technology Data Exchange (ETDEWEB)

The characteristics of diesel fuel jet atomization in carburetors depend on dynamic viscosity (v) density (d) and surface tension (st) of fuel, grouped in the combined functions v/d; st/v and st/d. Values of these combined functions for binary mixtures of a farm diesel fuel with a crude vegetable oil (sunflower, soybean, cotton and foot-cake olive oils) as well as with a used frying olive oil, are calculated. Three different diesel fuels have been studied. Combined function values of these mixtures are influenced by the characteristics of their diesel fuel. Mixtures containing less than 24% of any studied crude oils show kinematic viscosity values at 40 degrees C not exceeding 5.8 squared millimeters/s. This value is the higher limit for typical United States farm diesel fuels, according to specifications of the Cummins Engine Company. Mixture with 21% of the used frying olive oil shows at 40 degrees C this kinematic viscosity.

1985-09-01

472

Refinement and evaluation of crack-opening-area analyses for circumferential through-wall cracks in pipes  

Energy Technology Data Exchange (ETDEWEB)

Leak-before-break (LBB) analyses for circumferentially cracked pipes are currently being conducted in the nuclear industry to justify elimination of pipe whip restraints and jet impingement shields which are present because of the expected dynamic effects from pipe rupture. The application of the LBB methodology frequently requires calculation of leak rates. These leak rates depend on the crack-opening area of a through-wall crack in the pipe. In addition to LBB analyses, which assume a hypothetical flaw size, there is also interest in the integrity of actual leaking cracks corresponding to current leakage detection requirements in NRC Regulatory Guide 1.45, or for assessing temporary repair of Class 2 and 3 pipes that have leaks as are being evaluated in ASME Section 11. This study was requested by the NRC to review, evaluate, and refine current analytical models for crack-opening-area analyses of pipes with circumferential through-wall ...

1995-04-01

473

Quantitative bone scintigraphy in patients with osteoporosis  

International Nuclear Information System (INIS)

Quantitative bone scans were evaluated in 16 patients with osteoporosis and in a control group of 7 healthy subjects. Along with a detailed biochemical analysis of calcium-phosphorus metabolism and standartized reongenographs, a quantitative dynamic bone scintigraphy was performed according to the method proposed by the authors. The bone-accumulating factor K_b was determined on the base of mathematical analysis of the graph reflecting activity changes in bone tissue unit during the investigation, the blood-elimination factor K_h and kidney-elimination factor K_k. In addition the accumulation index AI (in %) was calculated as a relation between the activity in bone tissue unit, registered in 20 min interval, and the activity in soft tissues for the same time. Whereas the static gamma camera scintigraphy, made 3-4 hrs after injecting of the osteotrope radiopharmaceuticals, showed no specific changes in the patients examined, the method proposed ...

474

Numerical analysis of erosion of the rotor labyrinth seal in a geothermal turbine  

Energy Technology Data Exchange (ETDEWEB)

Excessive erosion of the labyrinth seal of a 100 MW geothermal turbine has been investigated. This study used computational fluid dynamics (CFD) and aims to identify one cause of erosion and a possible solution for substantially reducing it. The predictions were based upon a numerical calculation using a CFD model of the labyrinth seal with a water/steam flow containing hard solid particles and solved with a commercial CFD code: Fluent V5.0. The results confirmed the existence of flow conditions that play a major role in the rotor labyrinth seal erosion. Afterwards, the flow path was simulated with changes of rotor labyrinth seal geometry, which are indeed feasible of being implemented. The results confirmed that it is possible to reduce the erosion process by approximately 80% by incorporating a steam flow deflector in the fourth stage diaphragm, which changes the steam flow direction in the inlet zone to the rotor labyrinth seal channel, ...

2002-10-01

475

Modelling of temperature field in a reactor vessel downcomer during transients  

International Nuclear Information System (INIS)

The B test series from the course of ISP Nr. 43 was analysed. The boundary conditions measured include the initial temperature of the primary system, the front/slug injection flowrate and temperature, and the pressure drop across the core. Temperature data were collected at 185 thermocouple positions in the downcomer and 38 positions in the lower plenum. The frequency of data acquisition for code predictions was set to 2 Hz, which corresponds to the acquisition frequency of the two experimental setups. Calculations were performed using the FLUENT Computational Fluid Dynamics (CFD) code. This program is based on the finite volume method, The computational mesh was generated by the pre-processor - GAMBIT program. FLUENT uses a control-volume-based technique to convert the governing equations to algebraic equations, which can be solved numerically. This control volume technique consists of integrating the governing equations about each control ...

2003-08-17

476

MTF analysis of the MURR real-time neutron radiography facility  

International Nuclear Information System (INIS)

In neutron radiography, as in other forms of NDE, it is sometimes desirable to observe dynamic events. This need has generated increased interest in real-time neutron radiography systems. As in other forms of radiography, a standard method for measuring the image forming capability of real-time systems is necessary in order to compare the various methods and systems used. A technique which has been used extensively in general photography and has been applied in the characterization of several screen-film combinations used in conventional neutron radiography is to determine the imaging system's modulation transfer function (MTF). This gives a graphical representation of the system's spatial resolution capabilities and was therefore chosen as the method for evaluation of the real-time neutron radiography facility at the University of Missouri Research Reactor (MURR). The method used was to image a knife-edge, differentiate the edge gradient to obtain the line spread ...

1982-04-01

477

Local and regional ozone production: Chemistry and transport  

International Nuclear Information System (INIS)

The EUROTRAC sub-project ''Tropospheric Ozone Research'' (TOR) follows a dual strategy: - Observation of the chemical processes contributing to the oxygen balance directly in the atmosphere; - Establishment of a validated data base for model calculations. Both tasks require simultaneous measurements of a wide range of chemical and meteorological components. In the case of the investigation of the chemical processes, it is also desirable to measure the free radicals directly involved in ozone production. In the project described, a measuring station was set up. For a period of two years and a half, continuous measurements were made of ozone and its chemical precursors (NO, NO_2, NO_y, VOC, CO), as well as other photooxidants (H_2O_2 and organic hydroperoxides, organic nitrates), the photolysis frequency of NO_2, and meteorological parameters (wind, temperature, moisture, aerosols). The station was located on the Schauinsland mountain in the southern Black Forest, at ...

478

IR double-resonance spectroscopy applied to the 4-aminophenol(H{sub 2}O){sub 1} cluster  

Energy Technology Data Exchange (ETDEWEB)

The IR double-resonance techniques IR/R2PI (infrared/resonant 2-photon ionization), IR/PIRI (infrared-photo-induced Rydberg ionization) and IR-photodissociation spectroscopy are valuable tools to investigate structure, vibrations, and dynamical processes of neutral and ionic hydrogen-bonded clusters containing aromatic molecules. In this paper we report on the application of the IR double-resonance techniques to determine the NH and OH stretching vibrations of 4-aminophenol and 4-aminophenol(H{sub 2}O){sub 1}, both in the neutral (S{sub 0}) and ionic (D{sub 0}) ground state. All vibrational frequencies obtained for 4-aminophenol and the cluster are compared with the values obtained from ab initio and DFT calculations. In the S{sub 0} state, a trans-linear arrangement of 4-aminophenol(H{sub 2}O){sub 1} is obtained containing an O-H. O hydrogen bond. In the D{sub 0} state an overlay of two spectra can be observed resulting from the trans-linear ...

2001-03-01

479

Heat transfer augmentation for external ice-on-tube TES systems using porous copper mesh to increase volumetric ice production  

Energy Technology Data Exchange (ETDEWEB)

Substantial thermal performance improvement in ice-on-tube cold thermal energy storage systems (TES) is possible by making use of porous copper mesh as a Heat Conducting Enhancement Device (HCED). HCEDs are inexpensive heat transfer augmentation devices that can result in faster rate of ice growth and larger final steady state ice build volume by reducing the controlling thermal conduction resistance of the ice layer. This improves the competitiveness of external ice-on-tube systems as compared to other TES systems, such as dynamic ice harvesters and static internal melt systems. In this study the amount of ice growth enhancement is predicted theoretically, by performing simplified 1-D calculations, and is then validated in the laboratory through carefully controlled experiments. This study shows that ice volume increase between 50 and 90% is possible by using HCEDs of the type tested. (author)

2006-09-15

480

Dust resuspension and transport modeling for loss of vacuum accidents  

Energy Technology Data Exchange (ETDEWEB)

Plasma surface interactions in tokamaks are known to create significant quantities of dust, which settles onto surfaces and accumulates in the vacuum vessel. In ITER, a loss of vacuum accident may result in the release of dust which will be radioactive and/or toxic, and provides increased surface area for chemical reactions or dust explosion. A new method of analysis has been developed for modeling dust resuspension and transport in loss of vacuum accidents. The aerosol dynamic equation is solved via the user defined scalar (UDS) capability in the commercial CFD code Fluent. Fluent solves up to 50 generic transport equations for user defined scalars, and allows customization of terms in these equations through user defined functions (UDF). This allows calculation of diffusion coefficients based on local flow properties, inclusion of body forces such as gravity and thermophoresis in the convection term, and user defined source terms. The code ...

2007-07-01

481

Dust resuspension and transport modeling for loss of vacuum accidents  

International Nuclear Information System (INIS)

Plasma surface interactions in tokamaks are known to create significant quantities of dust, which settles onto surfaces and accumulates in the vacuum vessel. In ITER, a loss of vacuum accident may result in the release of dust which will be radioactive and/or toxic, and provides increased surface area for chemical reactions or dust explosion. A new method of analysis has been developed for modeling dust resuspension and transport in loss of vacuum accidents. The aerosol dynamic equation is solved via the user defined scalar (UDS) capability in the commercial CFD code Fluent. Fluent solves up to 50 generic transport equations for user defined scalars, and allows customization of terms in these equations through user defined functions (UDF). This allows calculation of diffusion coefficients based on local flow properties, inclusion of body forces such as gravity and thermophoresis in the convection term, and user defined source terms. The code ...

2007-10-05

482

Comprehensive simulations of superhumps  

CERN Document Server

(Abridged) We use 3D SPH calculations with higher resolution, as well as with more realistic viscosity and sound-speed prescriptions than previous work to examine the eccentric instability which underlies the superhump phenomenon in semi-detached binaries. We illustrate the importance of the two-armed spiral mode in the generation of superhumps. Differential motions in the fluid disc cause converging flows which lead to strong spiral shocks once each superhump cycle. The dissipation associated with these shocks powers the superhump. We compare 2D and 3D results, and conclude that 3D simulations are necessary to faithfully simulate the disc dynamics. We ran our simulations for unprecedented durations, so that an eccentric equilibrium is established except at high mass ratios where the growth rate of the instability is very low. Our improved simulations give a closer match to the observed relationship between superhump period excess and binary ...

2007-01-01

483

Adaptation of a cubic smoothing spline algortihm for multi-channel data stitching at the National Ignition Facility  

Energy Technology Data Exchange (ETDEWEB)

Some diagnostics at the National Ignition Facility (NIF), including the Gamma Reaction History (GRH) diagnostic, require multiple channels of data to achieve the required dynamic range. These channels need to be stitched together into a single time series, and they may have non-uniform and redundant time samples. We chose to apply the popular cubic smoothing spline technique to our stitching problem because we needed a general non-parametric method. We adapted one of the algorithms in the literature, by Hutchinson and deHoog, to our needs. The modified algorithm and the resulting code perform a cubic smoothing spline fit to multiple data channels with redundant time samples and missing data points. The data channels can have different, time-varying, zero-mean white noise characteristics. The method we employ automatically determines an optimal smoothing level by minimizing the Generalized Cross Validation (GCV) score. In order to automatically validate the ...

2010-12-28

484

A comprehensive approach to cooling tower design  

Energy Technology Data Exchange (ETDEWEB)

In this paper, a mathematical model for a counterflow wet cooling tower is derived, which is based on one-dimensional heat and mass balance equations using the measured heat transfer coefficient. The balance equations are solved numerically to predict the temperature change of air and water, as well as the humidity as a function of the cooling tower high. Experimental measurements on two pilot-scale cooling towers were carried out in order to analyze the performance of different cooling tower filling materials. Also, the performance of other cooling tower elements, such as droplet separators and water spray nozzles, was investigated in the pilot experiments. The flow distribution, i.e. the velocity field, upstream to the filling material was predicted using the three-dimensional version of the computational fluid dynamics (CFD) code Fluent/UNS, version 4.2. The calculated flow fields are presented for different distances between the inlet of ...

2001-06-01

485

Three-Party Simultaneous Quantum Secure Direct Communication Scheme with EPR Pairs  

Science.gov (United States)

We present a scheme for three-party simultaneous quantum secure direct communication by using EPR pairs. In the scheme, three legitimate parties can simultaneously exchange their secret messages. It is also proved to be secure against the intercept-and-resend attack, the disturbance attack and the entangled-and-measure attack.

2007-09-01

486

The enhancement of three-party simultaneous quantum secure direct communication scheme with EPR pairs  

Science.gov (United States)

Recently, Wang et al. proposed a three-party simultaneous quantum secure direct communication (3P-SQSDC) scheme with EPR pairs, which enables three involved parties to exchange their secret messages simultaneously by using an EPR pair. This work proposed an enhancement on Wang et al.'s scheme. With the enhancement, the communications in the improved 3P-SQSDC can be paralleled and thus improves the protocol efficiency.

2011-01-01

487

Quantum Cloning for Absolute Radiometry  

International Nuclear Information System (INIS)

In the quantum regime information can be copied with only a finite fidelity. This fidelity gradually increases to 1 as the system becomes classical. In this Letter we show how this fact can be used to directly measure the amount of radiated power. We demonstrate how these principles can be used to build a practical primary standard.

2010-08-20

488

Model of quantum noise of shadow radiation images  

International Nuclear Information System (INIS)

Correlation characteristics of quantum noise on the shadow radiation image (RI) of the object under nondestructive testing are studied. Mathematical model of RI occasional distortions is derived. The model takes into account the parameters of object under testing and of radiation beam by radiation quanta flux density. The results obtained can be used as a component in the process of investigation of various radiation testing systems

489

Measuring-Basis Encrypted Quantum Key Distribution with Four-State Systems  

International Nuclear Information System (INIS)

A measuring-basis encrypted quantum key distribution scheme is proposed by using twelve nonorthogonal states in a four-state system and the measuring-basis encryption technique. In this scheme, two bits of classical information can be encoded on one four-state particle and the transmitted particles can be fully used.

2007-01-15

490

Global quantum gauge symmetry via reconstruction theorems  

Energy Technology Data Exchange (ETDEWEB)

In this paper we establish that every quantum field theory satisfying some basic axioms possesses a weak quasi Hopf algebra as gauge symmetry. We use a reconstruction theorem to find this symmetry algebra and show how it is sed to build a gauge covariant field algebra. We investigate the question of why this generality is necessary. The non-uniqueness of the reconstruction process is interpreted and a cohomological classification of possible global gauge symmetries is given. (author)

1996-12-21

491

Covariant quantum equations in curved space-time, Lorentz covariance and tachyons  

International Nuclear Information System (INIS)

The author presents his views on the interrelation of quantum theory, space-time, Lorentz covariance and tachyons. He makes general observations on the nature of these topics and in particular on the nature of the mathematics used for their description and, without reaching any definite conclusions, points out some areas which require further critical examination. (W.D.L.).

492

Confinement, chiral symmetry, and the lattice  

CERN Document Server

Two crucial properties of QCD, confinement and chiral symmetry breaking, cannot be understand within the context of conventional Feynman perturbation theory. Non-perturbative phenomena enter the theory in a fundamental way at both the classical and quantum level. Over they years a coherent qualitative picture of the interplay between chiral symmetry, quantum mechanical anomalies, and the lattice has emerged and is reviewed here.

2011-01-01

493

Comment on: 'Critical assessment of the Schroedinger picture of quantum mechanics' [Phys. Lett. A 305 (2002) 322  

Energy Technology Data Exchange (ETDEWEB)

Recently, Faria et al. [Phys. Lett. A 305 (2002) 322] discussed an example in which the Heisenberg and the Schroedinger pictures of quantum mechanics gave different results. We identify the mistake in their reasoning and conclude that the example they discussed does not support the inequivalence of these two pictures.

2004-05-24

494

Coherent oscillator radiation  

International Nuclear Information System (INIS)

Coherent oscillator radiation is considered. A comparison is made with classical particle radiation with gauss distribution. Decay probability for coherent state in spontaneous radiation is estimated. The method suggested for describing harmonic oscillator allows to separate the effect of classical field radiation from quantum description of particle state within the framework of a self-consistent quantum mechanical problem.

1982-04-01

495

Coefficient algebra of the minimal representation of the elliptic quantum group  

International Nuclear Information System (INIS)

The algebra of the coefficients in the minimal representation of the A_n_-_1 quantum group, discussed by Felder and Varchenko, is given. Those coefficients are associated with the Boltzmann weights of A_n_-_1"("1") interaction-round-a-face model. The authors show that the algebra satisfies the Yang-Baxter equation. The PBW base for this algebra is also given

2001-07-01

496

Amplitude-real-phase exact solutions for quantum mixmaster universes  

Energy Technology Data Exchange (ETDEWEB)

We present a set of exact solutions for quantum Bianchi type-IX anisotropic cosmological models (including the Taub model) of the form {Psi}={ital We}{sup {minus}{ital S}}. These solutions are spread over all values of anisotropy near the singularity, but at larger values of the radius of the universe they are strongly peaked around the {ital k}=+1 Friedmann-Robertson-Walker model.

1991-10-15

497

A quantum-statistical-mechanical extension of Gaussian mixture model  

Energy Technology Data Exchange (ETDEWEB)

We propose an extension of Gaussian mixture models in the statistical-mechanical point of view. The conventional Gaussian mixture models are formulated to divide all points in given data to some kinds of classes. We introduce some quantum states constructed by superposing conventional classes in linear combinations. Our extension can provide a new algorithm in classifications of data by means of linear response formulas in the statistical mechanics.

2008-01-15

498

Gallbladder function and dynamics of bile flow in asymptomatic gallstone disease  

UK PubMed Central (United Kingdom)

AIM: To investigate the effects of gallbladder stones on motor functions of the gallbladder and the dynamics of bile flow in asymptomatic gallstone disease.METHODS: Quantitative hepatobiliary...Full Text Available

2009-06-14

499

DYNAMIC ANALYSIS OF DARRIEUS VERTICAL AXIS WIND ...  

Science.gov (United States)

The dynamic response characteristics of the VAWT rotor are important factors governing the safety and fatique life of VAWT systems. The principal problems are ...