WorldWideScience
2

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

3

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 ...

2011-01-01

4

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

5

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

6

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

7

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

8

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

9

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

10

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.

11

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

12

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

13

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

14

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 ...

2011-05-16

15

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 ...

1986-05-01

16

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 ...

2008-07-01

17

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

18

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

19

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 ...

2003-03-01

20

Long-lived quantum coherence in photosynthetic complexes at physiological temperature  

UK PubMed Central (United Kingdom)

Photosynthetic antenna complexes capture and concentrate solar radiation by transferring the excitation to the reaction center that stores energy from the photon in chemical bonds. This process occurs...Full Text Available

2010-07-20

21

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 ...

2005-09-27

22

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

23

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 ...

2007-12-20

24

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

25

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

26

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

27

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

28

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 ...

2002-07-01

29

MINEQL-PC. Chemical Equilibrium Composition of Aqueous Systems  

Energy Technology Data Exchange (ETDEWEB)

MINEQL is a subroutine package to calculate equilibrium composition of an aqueous system, accounting for mass transfer.

1986-11-21

30

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

31

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.).

32

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

33

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 ...

35

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

36

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

37

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

38

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

39

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

40

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

41

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

42

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

43

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

44

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

45

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

46

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

47

Density functional calculations of 15N chemical shifts in solvated dipeptides  

International Nuclear Information System (INIS)

We performed density functional calculations to examine the effects of solvation, hydrogen bonding, backbone conformation, and the side chain on 15N chemical shielding in proteins. We used N-methylacetamide (NMA) and N-formyl-alanyl-X (with X being one of the 19 naturally occurring amino acids excluding proline) as model systems. In addition, calculations were performed for selected fragments from protein GB3. The conducting polarizable continuum model was employed to include the effect of solvent in the density functional calculations. Our calculations for NMA show that the augmentation of the polarizable continuum model with the explicit water molecules in the first solvation shell has a significant influence on isotropic 15N chemical shift but not as much on the chemical shift anisotropy. The difference in the isotropic ...

2008-06-01

48

Calculations of physical and chemical reactions produced in irradiated water containing DNA  

Energy Technology Data Exchange (ETDEWEB)

Initial results obtained with a Monte Carlo computer program designed to link initial physical events in irradiated liquid water with subsequent chemical and biological events are presented. 10 refs., 4 figs., 3 tabs.

1985-01-01

49

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

50

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

51

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.).

52

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

53

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

54

Rigorous and General Definition of Thermodynamic Entropy  

CERN Document Server

The physical foundations of a variety of emerging technologies --- ranging from the applications of quantum entanglement in quantum information to the applications of nonequilibrium bulk and interface phenomena in microfluidics, biology, materials science, energy engineering, etc. --- require understanding thermodynamic entropy beyond the equilibrium realm of its traditional definition. This paper presents a rigorous logical scheme that provides a generalized definition of entropy free of the usual unnecessary assumptions which constrain the theory to the equilibrium domain. The scheme is based on carefully worded operative definitions for all the fundamental concepts employed, including those of system, property, state, isolated system, environment, process, separable system, system uncorrelated from its environment, and parameters of a system. The treatment considers also systems with movable internal walls and/or semipermeable walls, with ...

2010-01-01

55

Planar QED at finite temperature and density: Hall conductivity, Berry's phases and minimal conductivity of graphene  

CERN Document Server

We study 1-loop effects for massless Dirac fields in two spatial dimensions, coupled to homogeneous electromagnetic backgrounds, both at zero and at finite temperature and density. In the case of a purely magnetic field, we analyze the relationship between the invariance of the theory under large gauge transformations, the appearance of Chern-Simons terms and of different Berry's phases. In the case of a purely electric background field, we show that the effective Lagrangian is independent of the chemical potential and of the temperature. More interesting: we show that the minimal conductivity, as predicted by the quantum field theory, is the right multiple of the conductivity quantum and is, thus, consistent with the value measured for graphene, with no extra factor of pi in the denominator.

2009-01-01

56

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

57

Thermodynamics of reactions of chemically stable ceramics formation  

Energy Technology Data Exchange (ETDEWEB)

Theoretical thermodynamical calculations for the ZrO/sub 2/- Al/sub 2/O/sub 3/-SiO/sub 2/ system are given to expose the regions of the most chemically stable products of crystallization. It is established that ceramics on the base of mullite with zircon addition and containing the minimum quantity of glass phase should be preferably used in chemical media containing HCl.

1981-06-01

58

Evaluation of the long-term mechanical behavior in the near-fields considering chemical transitions of barrier materials  

International Nuclear Information System (INIS)

An analysis system for the long-term mechanical behavior of barrier materials (MACBECE: Mechanical Analysis system considering Chemical transitions of BEntonite-based and CEment-based materials) was developed in order to improve the reliability of the evaluation of the hydraulic field which is one of the important environmental conditions in the safety assessment of the TRU waste disposal. MACBECE is the system that calculates the deformation of barrier materials using their chemical property changes as inputs, and subsequently calculates their hydraulic conductivity taking both their chemical property changes and deformation into consideration. By using MACBECE, the long-term deformation and the transition of hydraulic field for the round-type disposal cavities were evaluated, assuming some sets of chemical evolution data as input. Based on the analysis result, ...

2007-04-22

59

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

60

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

61

QCCM - Center for NMR Quantum Information Processing  

Science.gov (United States)

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

2011-02-16

62

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

63

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

64

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

65

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

66

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

67

Supplier notification requirements under section 313 of the Emergency Planning and Community Right-to-Know Act (1991)  

International Nuclear Information System (INIS)

When Congress passed the Emergency Planning and Community Right-to-Know Act of 1986 (EPCRA), it created a number of new reporting requirements for companies that handle toxic chemicals and products containing toxic chemicals. Section 313 of EPCRA requires that certain manufacturers report annual releases to the environment of listed toxic chemicals and chemical categories. Because these manufacturers must know the toxic chemical composition of the products they use to be able to calculate releases accurately, EPA requires some suppliers of mixtures or trade name products containing one or more of the listed section 313 toxic chemicals to notify their customers. The pamphlet explains which suppliers must notify their customers, who must be notified, what form the notice must take, and when it must be sent.

68

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

69

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 ...

70

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

71

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).

72

The influence of chemically active gas on the light emission of metallic targets bombarded by positive ions  

International Nuclear Information System (INIS)

The introduction of oxygen in the vicinity of a metallic target surface, bombarded with positive argon ions of twenty kiloelectron-volts, increases the number of sputtered atoms in the excited state. This phenomenon of exaltation, very sensitive in the case of nickel and aluminium, is much less marked in the case of molybdenum. Moreover, the emission of excited particles coming from the beam's ions is not modified. A quantum-mechanical model of a kinetic emission process, which permits the interpretation of the clean metallic target's emission phenomena, seems insufficient to explain all of the results obtained in the presence of oxygen. In this last case one can therfore use a thermodynamic model in which excited metallic particles can be formed directly by chemical surface reactions of neutralization or reduction. (orig.).

73

Optoelectronic devices grown by metallo-organic chemical vapor deposition  

International Nuclear Information System (INIS)

The metallo-organic chemical vapor deposition (MOCVD) process has been used with great success to grow AlGaAs-GaAs and InGaAsP-InGaAs-InP heterostructure materials for electronic and optoelectronic applications. Devices fabricated from Al/sub x/Ga/sub 1-x/As-GaAs heterostructures grown by MOCVD include bipolar transistors, field-effect transistors (FETs), high-mobility (or modulation-doped) FETs, large-area high-efficiency solar cells, low-threshold lasers, high-power lasers, quantum-well lasers, and visible lasers. The state of the art for the MOCFD growth of optoelectronic devices is reviewed in this paper, and some comments are made regarding future trends in the growth of these materials by MOCVD.

74

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

75

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

76

Modeling of soluble impurities distribution in the steam generator secondary water  

Energy Technology Data Exchange (ETDEWEB)

A model was developed to compute concentration of impurities in the WWER 440 steam generator (SG) secondary water along the tube bundle. Calculated values were verified by concentration values obtained from secondary water sample chemical analysis. (orig.). 2 refs.

1997-12-31

77

EPA On-line Tools for Site Assessment Calculation | Ecosystems...  

Science.gov (United States)

MWo = average molecular weight of fuel est. 105 g/mole for gasoline est. 165 g/mole for Jet fuel est. 230 g/mole for diesel fuel MWX = molecular weight of selected chemical...

2011-01-19

78

Radiation-induced chemical modification of wood  

International Nuclear Information System (INIS)

The results of theoretical and experimental investigations, describing the effect of ionizing radiation on wood and its main components and methods for production of wood-plastic composites by means of radiation-induced chemical modification are generalized. Domestic and foreign experience in their production is systematized; physico-mechanical characteristics of new material, simulation and calculation of irradiating devices, as well as calculation and experimental study of #gamma#-radiation attenuation both by wood material and by wood of different species are given. Gamma sources ("6"0Co isotope, a hot loop of a nuclear reactor) as well as electron accelerators are considered as ionizing radiation sources.

1985-01-01

79

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

80

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.).

81

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

82

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

83

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

84

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

85

Poster 20. Analysis of chemical environment conditions in boiling zones  

International Nuclear Information System (INIS)

Boiling phenomenon is responsible for impurities concentration in the liquid phase and then can involve chemically aggressive conditions. This paper presents the methodology developed by NOVATOME to know the water quality conditions in the boiling zone and under deposits, in order to improve corrosion tests and materials reliability and safety. Calculations show that concentration of chloride and sodium hydroxide for example can reach significant levels which may lead to corrosion risks. (author).

86

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

88

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

90

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

91

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

92

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

93

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

94

The distribution profile of the chemical structural changes in ion-irradiated polyolefins  

Energy Technology Data Exchange (ETDEWEB)

The distribution profiles of the chemical structural changes induced in low density polyethylene(LDPE) irradiated by various ion-beams were obtained by micro-FT-IR measurement. Predominant species induced by ion-beam irradiation were trans-vinylene, hydroxyl group and carbonyl group. It was found that the depth profiles of these species resemble the Bragg curve, but they are rather different from the depth profile of the stopping power calculated by TRIM code. The terminal of the chemical reaction was observed to be deeper than the range calculated by TRIM code for all ion particles. This suggests that the energy profile in the region which the energy of the ion particle becomes lower is very complicated. (author).

1996-11-01

95

Short-wavelength (approx. 625 nm) room-temperature continuous laser operation of In/sub 0. 5/(Al/sub x/Ga/sub 1-//sub x/)/sub 0. 5/P quantum well heterostructures  

Energy Technology Data Exchange (ETDEWEB)

Data are presented demonstrating very-short-wavelength (625 nm) room-temperature (300 K) continuous (cw) photopumped laser operation of In/sub 1-//sub y/(Al/sub x/Ga/sub 1-//sub x/)/sub y/P-In/sub 1-//sub y/ (Al/sub x/Ga/sub 1-//sub x/)/sub y/P quantum well heterostructures grown lattice matched (yapprox. =0.5) on a GaAs substrate via metalorganic chemical vapor deposition. In addition, 300 K pulsed laser operation (J/sub th/approx.10/sup 4/ A/cm/sup 2/, 625 nm) of diodes fabricated from the same crystal is described.

1988-04-18

96

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.).

97

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

98

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

99

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

100

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

101

Chemical-equilibrium calculations for aqueous geothermal brines  

Energy Technology Data Exchange (ETDEWEB)

Results from four chemical-equilibrium computer programs, REDEQL.EPAK, GEOCHEM, WATEQF, and SENECA2, have been compared with experimental solubility data for some simple systems of interest with geothermal brines. Seven test cases involving solubilities of CaCO/sub 3/, amorphous SiO/sub 2/, CaSO/sub 4/, and BaSO/sub 4/ at various temperatures from 25 to 300/sup 0/C and in NaCl or HCl solutions of 0 to 4 molal have been examined. Significant differences between calculated results and experimental data occurred in some cases. These differences were traced to inaccuracies in free-energy or equilibrium-constant data and in activity coefficients used by the programs. Although currently available chemical-equilibrium programs can give reasonable results for these calculations, considerable care must be taken in the selection of free-energy data and methods of calculating activity ...

1981-05-01

102

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 ...

103

Quantum-chemical investigation of mechanism of dehydroxylation of crystalline and amorphous aluminosilicates  

Science.gov (United States)

Within the framework of the cluster approach and the semiempirical SCF MO LCAO method in the CNDO/BW valence approximation, possible pathways have been compared for the dehydroxylation of aluminosilicate systems. It has been shown that dehydroxylation as a result of splitting of a water molecule from an acidic bridge hydroxyl group and a more basic terminal group Al-OH is the most energyfavorable. Apparently, such a dehydroxylation pathway is primarily characteristic for amorphous aluminosilicates. Typical of crystalline aluminosilicates at moderate heat-treating temperature is dehydroxylation through splitting of a water molecule from an acidic bridge hydroxyl group and a neutral Si-OH group; at higher temperatures, there is a possible pathway of dehydroxylation of highsilica zeolites as a result of condensation of two acidic surface hydroxyls.

1986-07-01

104

Fractional domain walls from on-site softening in dipolar bosons  

CERN Document Server

We study dipolar bosons in a 1D optical lattice and identify a region in parameter space---strong coupling but relatively weak on-site repulsion---hosting a series of stable CDW states whose low-energy excitations, built from "fractional domain walls", are remarkably similar to those of non-abelian fractional quantum Hall states. Here, a conventional domain wall between translated CDW's may split by inserting strings of degenerate, but inequivalent, CDW states. Outside these insulating regions, we find numerous supersolids as well as a superfluid regime. The mentioned phases should be accessible experimentally, and in particular, the fractional domain walls can be created in the ground state using single-site addressing, i.e. by locally changing the chemical potential.

2011-01-01

105

A facile and green preparation of high-quality CdTe semiconductor nanocrystals at room temperature  

Energy Technology Data Exchange (ETDEWEB)

One chemical reagent, hydrazine hydrate, was discovered to accelerate the growth of semiconductor nanocrystals (cadmium telluride) instead of additional energy, which was applied to the synthesis of high-quality CdTe nanocrystals at room temperature and ambient conditions within several hours. Under this mild condition the mercapto stabilizers were not destroyed, and they guaranteed CdTe nanocrystal particle sizes with narrow and uniform distribution over the largest possible range. The CdTe nanocrystals (photoluminescence emission range of 530-660 nm) synthesized in this way had very good spectral properties; for instance, they showed high photoluminescence quantum yield of up to 60%. Furthermore, we have succeeded in detecting the living Borrelia burgdorferi of Lyme disease by its photoluminescence image using CdTe nanocrystals.

2008-06-18

106

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 vibrational-vibrational ...

2008-01-22

107

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

108

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

109

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.

110

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 the final state Pauli ...

1995-06-01

111

Recent Progress in the Growth of Mid-Infrared Emitters by Metal-Organic Chemical Vapor Deposition  

Science.gov (United States)

We report on recent progress and improvements in the metal-organic chemical vapor deposition (MOCVD) growth of mid-infrared lasers and using a high speed rotating disk reactor (RDR). The devices contain AlAsSb active regions. These lasers have multi-stage, type I InAsSb/InAsP quantum well active regions. A semi-metal GaAsSb/InAs layer acts as an internal electron source for the multi-stage injection lasers and AlAsSb is an electron confinement layer. These structures are the first MOCVD multi-stage devices. Growth in an RDR was necessary to avoid the previously observed Al memory effects found in conventional horizontal reactors. A single stage, optically pumped laser yielded improved power (greater than 650 mW/facet) at 80K and 3.8um. A multi-stage 3.8-3.9um laser structure operated up to T=170K. At 80K, peak power greater than 100mW and a high slope- efficiency were observed in gain guided lasers.

1998-01-01

112

Nuclear magnetic resonance spectroscopy in the structure elucidation and biosynthesis of natural products  

Energy Technology Data Exchange (ETDEWEB)

Examination of a chloroform extract of Dracaena loureiri Gagnep (Agavaceae), a Thia medicinal plant possessing antibacterial activity, has led to the isolation of fifteen flavenoids. The biogenic relationships among these flavenoids isolated were briefly discussed. Definition of the skeleton and the unambiguous assignment of all of the protons of the isolates was achieved through extensive 2D-homonuclear chemical shift correlation, nuclear Overhauser effect (NOE) difference spectroscopy and 2D-NOE experiments. The {sup 1}H and {sup 13}C NMR spectra of staurosporine, a potent biologically active agent from Streptomyces staurosporeus, were unambiguously assigned by using 2D homonuclear chemical shift correlation, NOE, {sup 1}H-detected heteronuclear multiple-quantum coherence via direct coupling and via multiple-bond coupling for resonance assignments of protonated and nonprotonated carbons, respectively. S. Staurosporeus was ...

1988-01-01

113

Direct solar water splitting cell using water, WO3, Pt, and polymer electrolyte membrane  

British Library Electronic Table of Contents (United Kingdom)

A solar water splitting cell composed of WO3, Polymer Electrolyte Membrane (PEM) and Pt was constructed for producing hydrogen from deionized water in sunlight. Spectral responsivity measurements under various temperatures and bias voltages were conducted for the cell using the Incident Photon to Current Efficiency (IPCE) method. For comparison, a known WO3 Photo Electro Chemical (PEC) cell containing H3PO4 electrolyte, WO3/H3PO4/Pt, was tested using the same test method. The WO3/PEM-H2O/Pt cell showed better Quantum Efficiency (QE) performance compared to that obtained from the cell with the chemical electrolyte. For the first time, spectral responsivity of photo water splitting process without bias power was unveiled in the new WO3 cell, demonstrating the self-sustained photo electrolysi...

2009-01-01

114

Ammonia adsorption on the C_3_0B_1_5N_1_5 heterofullerene: DFT study of nuclear magnetic shielding and electric field gradient tensors of N and B nuclei  

International Nuclear Information System (INIS)

Ammonia adsorption on the external surface of C_3_0B_1_5N_1_5 heterofullerene was studied using density functional calculations. Three models of the ammonia-attached C_3_0B_1_5N_1_5 together with the perfect model were optimized at the B3LYP/6-31G"* level. The optimization process reveals that dramatic influences occurred for the geometrical structure of C_3_0B_1_5N_1_5 after ammonia adsorption; the B atom relaxes outwardly and consequently the heterofullerene distorts from the spherical form in the adsorption sites. The chemical shielding (CS) tensors and nuclear quadrupole coupling constants of B and N nuclei were calculated at the B3LYP/6-311G"*"* level. Our calculations reveal that the B atom is chemically bonded to NH_3 molecule. The B atom in the NH_3-attached form has the largest chemical shielding isotropic (CSI) value among the other boron nuclei. The ...

2011-04-01

115

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

116

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

117

Chemical reactions in a solar furnace 2: Direct heating of a vertical reactor in an insulated receiver. Experiments and computer simulations  

Energy Technology Data Exchange (ETDEWEB)

The performance of a solar chemical heat pipe was studied using CO{sub 2}reforming of methane as the endothermic reaction. A directly heated vertical reactor, packed with a rhodium catalyst was used. The solar tests were carried out in the Schaeffer solar furnace of the Weizmann Institute of Science. The power absorbed was up to 6.3 KW, the maximal flow rates of the gases reached 11,000 1/h, and the methane conversions reached 85%. A computer model was developed to simulate the process. Agreement of the calculations with the experimental results was quite satisfactory.

1992-01-01

118

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

119

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

120

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

121

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).

122

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

123

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

124

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

125

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

126

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

127

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 arrangement along the [110] ...

2004-07-01

128

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

129

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 observational determination ...

2009-01-01

130

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

131

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

132

How to detect acidification in flowing bodies of water? Chemical and zoo-ecological indication along an acidification gradient in two brooks in the western Harz mountains  

International Nuclear Information System (INIS)

The population of the hyporheic interstice and moss cushions by meso- and macroinvertebrates as found at the three measuring points along the Alte Riefensbeek and the Grosse Soese, respectively, in the period from March 1987 to May 1988 is studied and evaluated together with chemical measurements performed between 1987 and 1990. The six measuring points are positioned along an acidification gradient ranging from non-acid to severely acidified. Chemical and biological paramerters are studied with regard to their suitability as indicators of acidification. A model is presented which decribes the influence of abiotic anthropogenic and natural factors on invertebrate species diversity and populations and which can serve as a basis for the calculation of critical deposition burdens. (orig.).

1991-09-24

133

Chemical kinetic modeling of chlorinated hydrocarbons under stirred-reactor conditions  

Energy Technology Data Exchange (ETDEWEB)

The combustin of chloroethane is modeled as a stirred reactor so that we can study critical emission characteristics of the reactor as a function of residence time. We examine important operating conditions such as pressure, temperature, and equivalence ratio and their influence on destructive efficiency of chloroethane and production of other chlorinated products. The model uses a detailed chemical kinetic mechanism that we have developed previously for C{sub 3} hydrocarbons. We have added to this mechanism the chemical kinetic mechanism for C{sub 2} chlorinated hydrocarbons developed by Senkan and coworkers. Some reactions have been added to Senkan's mechanism and some of the reaction-rate expressions have been updated to reflect recent developments in the literature. In the modeling calculations, sensitivity coefficients are determined to find which reaction-rate constants have the largest effect on destructive ...

1990-10-04

134

Burn-up measurement of irradiated nuclear fuel by means of micro-gamma scanning  

International Nuclear Information System (INIS)

The Cs-137 radioactivity of a neutron-irradiated nuclear fuel sample has been measured by means of a micro-gamma scanning system which is associated with a high purity Ge detector. Subsequently the burn-up has been calculated from the Cs-137 radioactivity data and then compared with the values from the theoretical computation and chemical anaylsis. The burn-up value obtained with the gamma-scanning system seems to be reasonably agreeable with that of the chemical anaylsis provided that the statistical error in the experiments is taken into account. It is revealed that the burn-up data from the theoretical approach is slightly higher than those of micro-gamma scanning and chemical analysis methods. (Author).

135

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

136

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

137

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

138

The relative X-ray intensity Ksub(#alpha#)/Ksub(#beta#) of 3d elements by photoionization and electron capture  

International Nuclear Information System (INIS)

The measurement of K(alpha)/K(beta) X-ray intensity ratio indicates the excitation process and the chemical state of the atom examined. Theoretical considerations on the origin of this property are presented. The difference of these ratios following photoionization and electron capture are calculated by a computer code generating transition matrix elements. The theoretical assumptions involved in the codes are tested by comparing the experimental and calculated data concerning 3d transition element atoms. (D.Gy.).

1981-03-19

139

Ab initio study of the elastic anomalies in Pd-Ag alloys  

International Nuclear Information System (INIS)

Ab initio total-energy calculations, based on the exact muffin-tin orbital method, are used to determine the elastic properties of Pd1-xAgx random alloys in the face-centered-cubic crystallographic phase. The compositional disorder is treated within the coherent-potential approximation. The single crystal and polycrystalline elastic constants and the Debye temperature are calculated for the whole range of concentration, 0?x?1. It is shown that the variation in the elastic parameters of Pd-Ag alloys with chemical composition strongly deviates from a simple linear or parabolic trend. The complex electronic origin of these anomalies is demonstrated.

2009-02-15

140

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

141

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

142

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

143

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

144

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

145

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

146

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

147

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

148

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

149

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. ...

150

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

151

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 space geometry of ...

2009-01-01

152

(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 ...

153

Investigation of dissolution kinetics of tungsten minerals in hydrochloric acid solutions of citric acid  

Energy Technology Data Exchange (ETDEWEB)

Thermodynamic analysis of dissolution processes of tungsten minerals in citric acid solutions in the absence and in the presence of hydrochloric acid has been carried out by means of calculation of Gibbs energy of the chemical reactions. Kinetic characteristics, such as specific dissolution rates and activation energies, are determined. It is established that the dissolution reactions studied take place in kinetic region. A possibility of scheelite selective dissolution in the presence of other tungsten minerals is shown.

1985-03-01

154

A kinetic study of ozone and nitric oxides in dielectric barrier discharges for O_2/NO_x mixtures  

International Nuclear Information System (INIS)

A simple model is described to simulate kinetic processes in dielectric barrier discharges for O_2/NO_x mixtures. A threshold of ozone production found experimentally is confirmed by the calculations of this modeling, and the underlying chemical reaction mechanisms are discussed. It is also found that the effects of diffusion processes in the period of the lifetime of O atoms are not important to micro-discharge channels with a large radius, i.e. larger than 150 #mu#m

2002-04-01

155

A Monte Carlo model for predicting water quality in mine pit lakes  

Energy Technology Data Exchange (ETDEWEB)

A model has been developed to predict the chemical composition of lakes that form in pyrite-bearing open-pit mines. Pyrite oxidation in wall rock releases sulfuric acid and metals, which mix with ground waters in the lake. Aqueous metal concentrations are calculated using MINTEQA2.

1995-12-01

156

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 intramolecular energy transfers ...

2010-10-01

157

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

158

Cobalt release from PCA steel during possible fusion reactor accidents  

Energy Technology Data Exchange (ETDEWEB)

Possible accident scenarios for a fusion reactor include breaches in the vacuum or cooling system. Intruding air or steam could react with structural or plasma facing materials, possibly mobilizing radioactive isotopes. Safety assessments must consider the early dose at the site boundary from the release of these activated materials. Previous calculations have indicated that cobalt isotopes dominate dose calculations for designs using stainless steel. Values used in these calculations, however, had been largely determined by the measurement limits of the chemical analysis methodology instead of measured releases. The purpose of the current study was to refine the analytical method to reduce the limit for detecting cobalt, and then test PCA steel in air and steam between 973 and 1473 K. Goals were to obtain more accurate measurements of cobalt mobilization in terms of g/m{sup 2}{center_dot}h and insight ...

1995-01-01

159

The cascade of reservoirs of the ``Mayak`` Plant: Case history and the first version of a computer simulator  

Energy Technology Data Exchange (ETDEWEB)

The improvement of the ecological conditions at waste storing reservoirs is an important task of the restoration activity at Production Association (PA) ``Mayak`` (South Urals). The radionuclides mostly {sup 90}Sr, {sup 137}Cs, and chemical pollutants deposited in the reservoir water and in the bottom sediment are very dangerous sources for the contamination of Techa River below the reservoirs and the contamination of groundwater in the surrounding formations. The spreading of radioactive contaminants has both hydrogeological and the chemical features. The thermodynamic approach used to account for physical-chemical interactions between water and the bed rocks based on Gibbs free energy minimization of multicomponent system (H-O-Ca-Mg-K-Na-S-Cl-C-Sr) permitted the authors to calculate the corresponding ionic and complex species existing in the solutions, and to characterize the processes of ...

1994-07-01

160

Extension of the EQ3/6 computer codes to geochemical modeling of brines  

Energy Technology Data Exchange (ETDEWEB)

Recent modifications to the EQ3/6 geochemical modeling software package provide for the use of Pitzer's equations to calculate the activity coefficients of aqueous species and the activity of water. These changes extend the range of solute concentrations over which the codes can be used to dependably calculate equilibria in geochemical systems, and permit the inclusion of ion pairs, complexes, and undissociated acids and bases as explicit component species in the Pitzer model. Comparisons of calculations made by the EQ3NR and EQ6 compuer codes with experimental data confirm that the modifications not only allow the codes to accurately evaluate activity coefficients in concentrated solutions, but also permit prediction of solubility limits of evaporite minerals in brines at 25/sup 0/C and elevated temperatures. Calculations for a few salts can be made at temperatures up to approx. 300/sup 0/C, ...

1984-10-23

161

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). ...

162

The Quantum Information Revolution: 101 Uses for Schroedingers Cat  

ScienceCinema

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

163

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

164
165

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

166

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

168

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

169

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

170

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

172

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

173

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

174

Short-wavelength (approx. <6400 A) room-temperature continuous operation of p-n In/sub 0. 5/(Al/sub x/Ga/sub 1//sub -//sub x/)/sub 0. 5/P quantum well lasers  

Science.gov (United States)

Data are presented demonstrating short-wavelength (approx. <6400 A) continuous (cw) laser operation of p-n diode In/sub 0.5/(Al/sub x/Ga/sub 1-//sub x/)/sub 0.5/P multiple quantum well heterostructure (QWH) lasers grown lattice matched on GaAs substrates using metalorganic chemical vapor deposition. In the range from -30 /sup 0/C to room temperature (RTapprox. =300 K, lambdaapprox. =6395 A) the threshold current density changes from 2.3 x 10/sup 3/ A/cm/sup 2/ (-30 /sup 0/C) to 3.7 x 10/sup 3/ A/cm/sup 2/ (RT, 300 K). The cw 300 K photopumped laser operation of the same quaternary QWH crystal is an order of magnitude lower in threshold (7 x 10/sup 3/ W/cm/sup 2/, J/sub eq/approx.2.9 x 10/sup 3/ A/cm/sup 2/) than previously reported for this crystal system, and agrees with the successful demonstration of cw 300 K laser diodes at this short wavelength.

1988-11-07

175

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. Assessments of ...

2010-08-15

176

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

177

Radiolysis and photolysis of crystalline 2,4,6-triazido-3,5-dichloropyridine: generation of quintet dinitrenes  

International Nuclear Information System (INIS)

Low-temperature #gamma# radiolysis and photolysis of crystalline 2,4,6-triazido-3,5-dichloropyridine (TAP) were studied by means of the ESR technique. It was found that the long-term irradiation of TAP at 77 K leads to the appearance of characteristic signals of quintet 2,6-dinitreno-4-azido-3,5-dichloropyridine and 2,4-dinitreno-6-azido-3,5-dichloropyridine; the radiation-chemical yield was 0.035 and 0.012 molecule/100 eV, respectively. The photolysis of crystalline 2,4,6-triazido-3,5-dichloropyridine proceeded less effectively, producing only quintet 2,6 dinitrene with a quantum yield of #approx#4.5 x 10"-"4. The study showed that the generation of high-spin nitrenes via radiolysis of crystalline azides is much superior to the photochemical technique in efficiency and may be of practical importance for the preparation of magnetically active organic materials

178

Enhanced corrosion resistance of mild steel in hydrochloric acid solution by new thiadiazole derivatives: Electrochemical, theoretical and XPS studies  

Energy Technology Data Exchange (ETDEWEB)

In this work, a new class of thiadiazole derivatives, namely 3,5-bis(2-thienyl)-1,3,4-thiadiazole (2-TTH) and 3,5-bis(3-thienyl)-1,3,4-thiadiazole (3-TTH), have been studied as possible corrosion inhibitors for mild steel in molar hydrochloric acid (1M HCl). Polarisation curves and AC impedance methods have been used. These studies have shown that the thiadiazole derivatives were very good inhibitors for mild steel in 1M HCl. Comparison of results showed that 3-TTH was the best inhibitor. The potential of zero charge (PZC) of mild steel was studied by ac impedance method, and the mechanism of adsorption has been predicted. X-ray photoelectron spectroscopy surface analysis with thiadiazole derivatives shows that it chemisorbed at the mild steel/HCl interface. The adsorption of these inhibitors followed Langmuir's adsorption isotherm. The electronic properties of 2-TTH and 3-TTH, obtained using the AM1 semi-empirical quantum chemical ...

2004-07-01

179

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

180

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

181

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

182

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

183

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

184

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.

185

Transient heat transfer in a directly-irradiated solar chemical reactor for the thermal dissociation of ZnO  

International Nuclear Information System (INIS)

A numerical and experimental investigation is carried out in a solar thermochemical reactor for the thermal dissociation of ZnO at 2000 K using concentrated solar energy. The reactor consists of a cavity-receiver lined with ZnO particles and directly exposed to high-flux irradiation. A transient heat transfer model is formulated to link the rate of radiation, convection, and conduction heat transfer to the reaction kinetics. The radiosity and Monte Carlo methods are applied to obtain the distribution of net radiative fluxes at the internal surfaces of the reactor cavity and at the surface of the ZnO bed. Validation is accomplished in terms of the calculated and measured transient temperature profiles and chemical reaction rates.

2008-04-01

186

The replacement reaction controlling the fractal assembly of copper nanoparticles  

Energy Technology Data Exchange (ETDEWEB)

In this paper we describe a fractal assembly of copper nanoparticles on different substrates by controlling the chemical replacement reaction. Through calculation, we found that the 'fractal dimensions' of copper dendrites synthesized by us were about 1.832, which agreed well with the 'fractal dimensions' of natural fern leaves (fractal dimension, 1.826), suggesting that the fern fractal model was useful to describe the self-assembly of our copper nanoparticles during the chemical replacement reaction process. These results will be beneficial for the understanding of the role that highly nonequilibrium conditions play in the formation of fractal clusters as well as the self-assembly mystique of metallic nanoparticles in nonequilibrium conditions and also helpful in the future assembly of complicated nanoarchitectures of metallic nanoparticles for potential applications.

2008-04-02

187

The composition-explicit distillation curve technique: Relating chemical analysis and physical properties of complex fluids  

British Library Electronic Table of Contents (United Kingdom)

The analysis of complex fluids such as crude oils, fuels, vegetable oils and mixed waste streams poses significant challenges arising primarily from the multiplicity of components, the different properties of the components (polarity, polarizability, etc.) and matrix properties. We have recently introduced an analytical strategy that simplifies many of these analyses, and provides the added potential of linking compositional information with physical property information. This aspect can be used to facilitate equation of state development for the complex fluids. In addition to chemical characterization, the approach provides the ability to calculate thermodynamic properties for such complex heterogeneous streams. The technique is based on the advanced distillation curve (ADC) metrology, wh...

2010-01-01

188

System for cooling primary gas coolers using return water stabilized by means of ammonium sulfate  

Energy Technology Data Exchange (ETDEWEB)

Discusses scaling of closed systems for cooling coal gas from black coal coking. Scaling rate and factors that influence scaling are analyzed. Physical and chemical properties of scale buildup on the inner walls of pipe cooling systems are evaluated. Water pH value and its effects on scaling and solubility of chemical compounds that form scale are discussed. Use of ammonium sulfate for scale control is analyzed. Consumption rate of ammonium sulfate depends on ambient temperature, water pH value and chloride content in return water. Formulae for calculating optimum content of ammonium sulfates for scale control are derived. 3 refs.

1989-08-01

189

Relating Complex Fluid Composition and Thermophysical Properties with the Advanced Distillation Curve Approach  

British Library Electronic Table of Contents (United Kingdom)

Complex fluids have long posed a significant challenge in our ability to characterize and model fluid properties. Here, we consider complex fluids to be mixtures with many components that can differ significantly in polarity and polarizability. The penultimate complex fluid is crude oil, although many other fluids such as finished fuels are also highly complex. We have recently introduced a measurement strategy that can simplify these efforts and provides the added potential of linking chemical composition (i.e. analytical) information with physical property information. In addition to chemical characterization, the approach provides the ability to calculate thermodynamic and transport properties for such complex heterogeneous streams. The technique is based on the advanced distillation cu...

2010-01-01

190

Influence of chemical reaction and thermal radiation on the heat and mass transfer in MHD micropolar flow over a vertical moving porous plate in a porous medium with heat generation  

British Library Electronic Table of Contents (United Kingdom)

An analysis is presented for the effects of chemical reaction and thermal radiation on hydromagnetic free convection heat and mass transfer for a micropolar fluid via a porous medium bounded by a semi-infinite vertical porous plate in the presence of heat generation. The plate moves with a constant velocity in the longitudinal direction and the free stream velocity follows an exponentially small perturbation law. A uniform magnetic field acts perpendicularly to the porous surface in which absorbs the micropolar fluid with a suction velocity varying with time. Analytical expressions are computed numerically. Numerical calculations are carried out the purpose of the discussion of the results which are shown on graphs and the effects of the various dimensionless parameters entering into the p...

2009-01-01

191

Inferring temperature uniformity from gas composition measurements in a hydrogen combustion-heated hypersonic flow stream  

Energy Technology Data Exchange (ETDEWEB)

The application of a method for determining the temperature of an oxygen-replenished air stream heated to 2600 K by a hydrogen burner is reviewed and discussed. The purpose of the measurements is to determine the spatial uniformity of the temperature in the core flow of a ramjet test facility. The technique involves sampling the product gases at the exit of the test section nozzle to infer the makeup of the reactant gases entering the burner. Knowing also the temperature of the inlet gases and assuming the flow is at chemical equilibrium, the adiabatic flame temperature is determined using an industry accepted chemical equilibrium computer code. Local temperature depressions are estimated from heat loss calculations. A description of the method, hardware and procedures is presented, along with local heat loss estimates and uncertainty assessments. The uncertainty of the method is estimated at {+-}31 K, and the spatial ...

1995-08-01

192

Hydrothermal faunal assemblages and habitat characterisation at the Eiffel Tower edifice (Lucky Strike, Mid-Atlantic Ridge)  

British Library Electronic Table of Contents (United Kingdom)

Abstract The Eiffel Tower edifice is situated in the Lucky Strike hydrothermal vent field at a mean depth of 1690-m on the Mid-Atlantic Ridge (MAR). At this 11-m-high hydrothermal structure, different faunal assemblages, varying in visibly dominant species (mussels and shrimp), in mussel size and in density of mussel coverage, were sampled biologically and chemically. Temperature and sulphide (-S) were measured on the different types of mussel-based assemblages and on a shrimp-dominated assemblage. Temperature was used as a proxy for calculating total concentrations of CH4. Based on the physico-chemical measurements, two microhabitats were identified, corresponding to (i) a more variable habitat featuring the greatest fluctuations in environmental variables and (ii) a second, more stable, ...

2011-01-01

193

Basic uranyl perrhenate and its crystallohydrates  

Energy Technology Data Exchange (ETDEWEB)

UO/sub 2/(OH)xReO/sub 4/xH/sub 2/O, UO/sub 2/(OH)ReO/sub 4/x0.5H/sub 2/O and UO/sub 2/(OH)ReO/sub 4/ were produced and their physical and chemical properties were studied for the first time. The chemical analysis was carried out and pycnometric density of the initial crystallohydrate and basic uranyl anhydrous perrhelate wos determined. The two-step mechanism of the dehydration of uranyl hydroxoperrhenate monohydrate was revealed. Values of interplane distances were calculated for a number of roentgenogram lines of the basic uranyl perrhenate and its crystallohydrates. IR spectra of all revealed compounds in the region of 4000-250 cm/sup -1/ were studied.

1982-11-01

194

Analytical examination of the preignition processes within homogeneous mixtures of a gaseous fuel and air in a motored engine  

Energy Technology Data Exchange (ETDEWEB)

Examination is made of the main features of the physical and chemical preignition processes within homogeneous mixtures of air and gaseous fuels, such as propane, methane and hydrogen in a motored engine, while employing detailed chemical kinetics in a one zone analytical model. The changes in the compression temperature and pressure due to the admission of gaseous fuels, energy release during the preingition reactions and the contributions of heat transfer and residual gases to the preignition reaction activity were followed over a number of consecutive cycles until the occurrence of autoignition. Some of the observed differences in engine behaviour when operating on methane, propane and hydrogen were discussed with particular reference to the observed trends in dual fuel engine operation. Calculated results showed good agreement with some corresponding experimental trends. 14 refs., 9 figs.

1994-10-01

195

A thermodynamic data base for Tc to calculate equilibrium solubilities at temperatures up to 300 deg C  

International Nuclear Information System (INIS)

Thermodynamic data has been selected for solids and aqueous species of technetium. Equilibrium constants have been calculated in the temperature range 0 to 300 deg C at a pressure of 1 bar for T<100 deg C and at the steam saturated pressure at higher temperatures. For aqueous species, the revised Helgeson-Kirkham-Flowers model is used for temperature extrapolations. The data base contains a large amount of estimated data, and the methods used for these estimations are described in detail. A new equation is presented that allows the estimation of #DELTA#_rCdeg_p_m values for mononuclear hydrolysis reactions. The formation constants for chloro complexes of Tc(V) and Tc(IV), whose existence is well established, have been estimated. The majority of entropy and heat capacity values in the data base have also been estimated, and therefore temperature extrapolations are largely based on estimations. The uncertainties derived from these calculations ...

196

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

197

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

198

The effects of counter cation on lithium ion conductivity: In the case of the perovskite-type titanium oxides of La2/3?x Li3xTiO3 and LaTiO3  

British Library Electronic Table of Contents (United Kingdom)

We performed hybrid-DFT calculations for La2/3?xLi3xTiO3 (LLT) with lithium ion conductivity, in order to investigate the detailed lithium ion conductive mechanism from the viewpoint of molecular orbital (MO) method. It was concluded that the very ionic lithium ion in bottleneck accelerates the lithium ion conduction. The calculated MO shows no chemical bonding between lithium ion and other ions. In comparison with the perovskite-type trivalent titanium oxide of LaTiO3, the effect of the titanium's reduction was also investigated. We showed the possibility of the high lithium conductivity in LaTiO3.

2009-01-01

199

Study on low calorific gas combustion. Part 1  

Energy Technology Data Exchange (ETDEWEB)

Effects of combustion conditions on the critical calorific value of flame blowout were reported for low calorific gas on the assumption of using coal derived gaseous fuel. Further, calculations of adiabatic flame temperature by using chemical equilibrium calculation were conducted in order to get a possibility of increasing exit gas temperature of gas turbine combustor to 1,300 C for low calorific value gas fuel. As a result, effects of (1) fuel composition, (2) preheating fuel temperature, (3) calorific value, and (4) combustion air velocity and fuel nozzle diameter, on the critical calorific values of flame blowout were clarified. In increasing exit gas temperature of gas turbine combustor to 1,300 C when using low calorific value gas fuel, it is essential to get an advanced cooling technology for the gas turbine combustor.

1986-01-01

200

Result analysis on the parameter test of radium specific activity calculation in the tailing of uranium mine No. 794  

International Nuclear Information System (INIS)

This paper first introduces the calculating method of radium specific activity to determine the radon emanation rate of tailing of uranium mine No. 794, the method needs two parameters: radon emanation coefficient and radon diffusion coefficient. According to the measured results of parameters and the contrast between radium specific activity of indoor chemical analysis of field sample and field gamma-ray spectra, the authors discuss the variation rules and characteristics of radon emanation coefficient and radon diffusion coefficient, and the best climate and seasons for measuring these parameters in northern China, and finally summarize the characteristics of this method through analyzing measured results. (authors)

2006-09-01

201

Light amplification by S/sub 2/ molecules in the visible spectrum under supersonic cooling of a sulfur-containing gas mixture  

Energy Technology Data Exchange (ETDEWEB)

The light gain due to S/sub 2/ molecules in a supersonically cooled gas mixture is calculated. The S/sub 2/ molecules formed due to the recombination of the sulfur atoms, and the combustion gas mixture was preheated in a precombustion chamber. Optimal gas flow and nozzle parameters are found which correspond to the highest possible light gain using Cs/sub 2/-Ar and S/sub 2/-Ar gas mixtures. The steady state gas flow in the nozzle was calculated, taking into account the chemical reactions in the one-dimensional approximation. It is shown that the maximum gain values vary in the 0.0001-0.002 range for gas pressures in the precombustion chamber in the range 10-100 atm. The optimal initial relative concentration of Cs/sub 2/ molecules and S/sub 2/ molecules are given. 32 references.

1985-08-01

202

Bulk and surface electronic structure of hexagonal boron nitride  

International Nuclear Information System (INIS)

Accurate full-potential self-consistent linearized augmented-plane-wave (FLAPW) calculations have been carried out for hexagonal boron nitride. The resulting energy-band structure indicates that this material is an indirect-gap insulator and shows the existence of two unoccupied interlayer bands, similar to those found in graphite and graphite intercalation compounds. Chemical bonding is mainly covalent, with a small charge transfer towards the nitrogen atoms. Moreover, model-potential calculations, based on first-principles FLAPW wave functions and potentials, have been used to study slabs of thickness up to 35 layers. Contrary to the case of graphite, our results do not provide evidence of surface states associated with the interlayer bands.

203

Synthesis, crystallographic data, solubility and electrokinetic properties of copper-, nickel- and cobalt-uranylphosphate  

Energy Technology Data Exchange (ETDEWEB)

A discussion is given concerning the transformation in acid medium of curite into copper-, nickel- and cobalt-uranylphosphate. From chemical, differential thermal and thermogravimetric analyses, the crystal-chemical formula are calculated as: Cu(UO/sub 2//PO/sub 4/)/sub 2/.8H/sub 2/O, Ni(UO/sub 2//PO/sub 4/)/sub 2/.7H/sub 2/O and Co(UO/sub 2//PO/sub 4/)/sub 2/.7H/sub 2/O. The two last compounds crystallize in the triclinic system with space group P1 or P1(overscore) and the first one crystallizes in the tetragonal system with space group P4/nmm. The cell parameters are calculated. From solubility data, the solubility products are computed as 10sup(-12.8), 10sup(-9.5) and 10sup(-9.9) for the copper-, nickel- and colbalt-compound respectively. The electrokinetic properties of the three species are closely similar to those of natural meta-torbernite: the zeta-potential is negative and the point of zero ...

1981-01-01

204

Synthesis, crystallographic data, solubility and electrokinetic properties of copper-, nickel- and cobalt-uranylphosphate  

International Nuclear Information System (INIS)

A discussion is given concerning the transformation in acid medium of curite into copper-, nickel- and cobalt-uranylphosphate. From chemical, differentiel thermal and thermogravimetric analyses, the crystal-chemical formula are calculated as: Cu(UO_2/PO_4)_2.8H_2O, Ni(UO_2/PO_4)_2.7H_2O and Co(UO_2/PO_4)_2.7H_2O. The two last compounds crystallize in the triclinic system with space group P1 or P1(overscore) and the first one crystallizes in the tetragonal system with space group P4/nmm. The cell parameters are calculated. From solubility data, the solubility products are computed as 10sup(-12.8), 10sup(-9.5) and 10sup(-9.9) for the copper-, nickel- and colbalt-compound respectively. The electrokinetic properties of the three species are closely similar to those of natural meta-torbernite: the zeta-potential is negative and the point of zero charge be reached cannot in the pH-range 2 to 9.

205

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

206

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

207

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

208

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

209

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

210

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

211

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 both the projectile ...

212

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

213

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.

214

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 ...

215

The influence of the strength of hyperon-hyperon interactions on neutron star properties  

Energy Technology Data Exchange (ETDEWEB)

An equation of state of neutron star matter with strange baryons has been obtained. The effects of the strength of hyperon-hyperon interactions on the equations of state constructed for the chosen parameter sets have been analysed. Numerous neutron star models show that the appearance of hyperons is connected with the increasing density in neutron star interiors. The performed calculations have indicated that a change of the hyperon-hyperon coupling constants affects the chemical composition of a neutron star. The obtained numerical hyperon star models exclude a large population of strange baryons in the star interior.

2005-09-01

216

Redox potential measurement in the power station  

Energy Technology Data Exchange (ETDEWEB)

By its very nature redox potential measurement is suitable for determining the concentration ratio of a stable redox pair through its interaction with a chemically inert electrode surface but not the absolute concentration of a material. The measured redox potentials agree only rarely with those which are easily calculable theoretically. No individual defined stable redox pair is available in power station water. It is therefore not simply possible to measure definable mixed potentials more precisely. For these reasons redox potential measurement in the power station, as also with other types of water, can no longer be regarded as an indicator, by which it can be established whether oxidizing or reducing materials predominate in the water.

1983-01-01

217

Redox potential measurement in the power station  

International Nuclear Information System (INIS)

By its very nature redox potential measurement is suitable for determining the concentration ratio of a stable redox pair through its interaction with a chemically inert electrode surface but not the absolute concentration of a material. The measured redox potentials agree only rarely with those which are easily calculable theoretically. No individual defined stable redox pair is available in power station water. It is therefore not simply possible to measure definable mixed potentials more precisely. For these reasons redox potential measurement in the power station, as also with other types of water, can no longer be regarded as an indicator, by which it can be established whether oxidizing or reducing materials predominate in the water. (orig.).

218

Principle, classification and functions of geochemical modeling codes  

International Nuclear Information System (INIS)

Geochemical model is a kind of concept model which describes geochemical processes by means of chemical reaction equations and mathematical formula, and the software based on the concept model are called geochemical modeling code. Geochemical modeling codes can be divided into three categories: mass equilibrium, mass transfer and mass transport code. The major functions of geochemical codes include the calculation of forms of occurrence of elements, the prediction of direction of various geochemical reaction, the dissolution and precipitation of elements, the pH and Eh value, the rate and path of geochemical reaction in aqueous solution.

219

New demands to satisfy for air quality monitoring organisms; De nouvelles demandes a satisfaire pour les organismes de surveillance de la qualite de l'air  

Energy Technology Data Exchange (ETDEWEB)

The measurement of air pollutants is no more sufficient. It is necessary to assess the risk induced by air pollution, and then to put in place actions to reduce it. The air quality monitoring takes into account different pollutants: nitrogen oxides, carbon monoxide, particulates for the traffic; sulfur dioxide and particulates for use of fuel or coal or chemical transformations in air; ozone and nitrogen dioxide from hydrocarbon and nitrogen oxides emissions; the use of simulation methods allow to calculate the concentrations levels for these pollutants taken as indicators. (N.C.)

2000-07-01

220

Evaluation of optimum sheath electric field for selective production of metallic carbon nanotubes  

International Nuclear Information System (INIS)

We estimate the optimum electric field at the sheath edge and the minimum interval among the nanotubes to promote the growth of armchair-type nanotubes (metallic character) as a function of the tube length. On the basis of the electric charge distribution in a nanotube and the optimum electric filed E*_1 at the tip of a nanotube evaluated using the Hueckel-Poisson method, we calculate the structure of the electric field lines outside a nanotube in the sheath region. As the tube length increases, the E*_1 decreases. To maintain the chemical activity at the tip, the sheath electric field must be decreased. We show the decreasing rate of the sheath field to the tube length.

2006-03-21

221

Electrical properties of airborne nanoparticles produced by a commercial spark-discharge generator  

International Nuclear Information System (INIS)

A nanoparticle generator based on the principle of electrical discharge (PALAS GFG-1000) was used to produce nanoparticles of different chemical natures. The fractions of electrically neutral particles were then measured by means of a Spectrometre de Mobilite Electrique Circulaire (SMEC, i.e. radial-flow mobility analyzer) for different operating conditions. The experimental results were compared with the theoretical values calculated from the Fuchs extended charge equilibrium model for spherical particles and agglomerates. For the smallest particles (below 20 nm), the deviations observed remain below 10%, and tend towards 20% for larger particles (over 35 nm).

2010-08-01

222

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

223

Project SAFE. Update of the SFR-1 safety assessment. Phase 1. Appendix A1: Inventory  

Energy Technology Data Exchange (ETDEWEB)

One of the aims in the safety assessment of SFR-1 is to estimate the release to the environment. In order to make these calculations there is a need to describe the inventory in greater detail. The new computerised database of waste in SFR-1 gives a good possibility to achieve this. The aim for project SAFE is to make both conservative and realistic radionuclide transport calculations. To achieve this goal there must be two inventories. The conservative inventory is the inventory used in the design of the repository, which in most parts is identical with the limits in the licence for SFR-1. There is a great interest to have good estimates of the volumes of the different waste types. A thorough prognosis should be made in 1999, but until then the latest one from 1995 could be used in the calculations. The total (actual) inventory of nuclides is calculated from the measurements of the easy-to-measure ...

1998-10-01

224

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.).

225

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

226

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.).

227

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

228

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

229

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

230

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

231

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

232

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

233

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

234

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

235

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

236

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

237

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

238

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.).

239

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

240

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

241

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 ...

242

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

243

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

244

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

245

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

246

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

248

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

249

Self-consistent relativistic density-functional theory: Application to neutral uranium atom and some ions of lithium isoelectronic sequence  

Science.gov (United States)

In a relativistic density-functional theory the importance of the transverse photon contribution to the exchange potential in the high-density regime is pointed out. A neutral atom /sup 92/U is studied and its orbital energies calculated in the present scheme are compared with previous calculations based on relativistic Hartree, Dirac-Slater, and Dirac-Fock schemes and with experimental values from (electron spectroscopy for chemical analysis) ESCA studies. The present scheme is also used to calculate the orbital and total energies of some highly stripped ions of the Li isoelectronic sequence which occur as impurities in controlled thermonuclear plasma. These energies are found to be in close agreement with more involved Dirac-Fock results. Also, the relativistic effects significantly increase in going from C/sup 3 +/ to W/sup 71 +/ because the electronic density reaches values for which relativistic ...

1980-07-01

250

Radiation Chemistry of Aqueous Solutions Related to Nuclear Reactor Systems and Spent Fuel Management  

International Nuclear Information System (INIS)

In this thesis the rate constants for a number of radical reactions in aqueous solution have been studied in a wide temperature range. The reactions of H with H_2O_2, OH and HO_2 and the reactions of HO_2 with OH, Fe"2"+ and Cu"2"+ have been studied. For each reaction rate constants have been determined as a function of temperature using the technique of high temperature, high pressure (HTP) pulse radiolysis. The rate constants were obtained by fitting a kinetic computer model to the experimental data. From an Arrhenius plot the activation energy of each reaction was determined. The data determined in this way are important for modeling of radiolysis in nuclear light water reactors. A previously developed model for calculation of the effect of water radiolysis products on oxidation and dissolution of spent nuclear fuel has been improved. In the new model, called TraRaMo, simultaneous transport by diffusion and chemical reactions induced by ...

2003-01-01

251

Fully relativistic analysis of the absorption spectra of Ca_3Sc_2Ge_3O_1_2:Ni"2"+  

International Nuclear Information System (INIS)

Systematic analysis of the energy level schemes, ground state absorption (GSA) and covalency effects for the Ni"2"+ ion in Ca_3Sc_2Ge_3O_1_2 was performed. The recently developed first-principles approach to the analysis of the absorption spectra of impurity ions in crystals based on the discrete variational multi-electron method (DV-ME) [K. Ogasawara et al., Phys. Rev. B 64, 115413 (2001)] was used in the calculations. As a result, complete energy level schemes of Ni"2"+ and its absorption spectra at both possible crystallographic positions (distorted octahedral Sc"3"+ and tetrahedral Ge"4"+ positions) were calculated, assigned and compared with experimental data. Energies of the charge transfer (CT) transitions for both positions are estimated. Numerical contributions of all possible electron configurations into the calculated energy states were determined. By performing analysis of the molecular orbitals (MO) population, ...

2006-10-01

252

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

253

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.

254

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

255

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

256

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

257

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

258

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

259

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

260

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

261

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

262

Electromagnetic interactions in the {Delta}-resonance region  

Energy Technology Data Exchange (ETDEWEB)

Cross sections for some electro- and photoinduced spallation reactions on {sup 27}Al and {sup 51}V are measured in the energy region 130 MeV to 580 MeV with the activation method. Comparisons are made with calculations based on the Dalitz formalism for virtual photon spectra, and Monte Carlo calculations based on a cascade evaporation model, respectively. By use of Bremsstrahlung with end-point energies from threshold to 750 MeV, the yields for photo- production of{pi}{sup -}leading to ground and isomeric states in {sup 197}Hg are measured with the activation method. The activity from the Hg-isotopes were measured after a chemical separation of Hg from the target material. The yields and isomeric ratios are compared with impulse approximation calculations. For the photoproduction of {sup 195m}Hg and {sup 192}Hg from {sup 197}Au, the yields were measured. The experimental mean cross sections are compared ...

1995-03-01

263

Industrial Technologies Program: Chemicals  

Science.gov (United States)

Efficiency and Renewable Energy EERE Home | Programs & Offices | Consumer Information Chemicals Search Search Help Chemicals EERE » Industrial Technologies Program » Chemicals...

2011-10-01

264

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

265

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

266

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 quantum ...

2010-01-01

267

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

268

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

269

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

270

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

271

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

272

Chemical thermodynamics of silica: a critique on its geothermometer  

Energy Technology Data Exchange (ETDEWEB)

The chemical thermodynamic concepts used in the calculation of solubility data of silica (quartz) are presented taking into account the PVT characteristics of water. The temperature-dependence trends between the thermodynamically calculated and the experimental quartz solubility data are very similar, but the values are widely different at high temperatures. The experimental solubility, especially along the saturation curve at high temperature and thermodynamic data for silica need to be reevaluated in order to use silica chemistry to understand geological processes. There could exist a wide range of values for silica solubility at a specified temperature, depending upon the amount of water in the reaction vessel. Thus the silica contents in geothermal fluid, in general, cannot be used as a geothermometer to estimate the reservoir temperature. The derivation of a silica geothermometer needs an extra assumption about the ...

2000-06-01

273

Chemical Reactor Diagnostics  

International Science & Technology Center (ISTC)

Development of Methods and Apparatus for Processes Diagnostics in Plasma Reactors at the Neutralization of Chemical Herbiside and Pestiside

274

Chemical Emergencies  

Medline Plus

English - Chemical Emergencies Click to Stop Video Click to Start Video To Listen to the Audio or ...

275

Simulation of gas absorption with chemical reaction: The selective removal of hydrogen sulfide by aqueous methyldiethanolamine in packed columns  

Energy Technology Data Exchange (ETDEWEB)

The design of separation devices, particularly for solvent-based selective removal of H{sub 2}S from CO{sub 2}, requires an accurate mathematical model. Unfortunately, this requirement for high accuracy is often in conflict with the need for efficient computation. The addition of more and more complicated analyses, such as a move from Henry's law to a method incorporating gas and liquid activities for computing vapor liquid equilibria, may give a more accurate solution, but only at the cost of decreased computational efficiency. The efforts in this work have been directed toward two goals. The first was to develop an accurate mathematical model for the aqueous methyldiethanolamine (MDEA) system. The steady-state packed column model developed in this work has been tested with data from Schubert (1988) to verify its accuracy. The second goal was to modify the model to improve its computational efficiency. Areas such as vapor-liquid equilibrium calculations, ...

1988-01-01

276

K/sub. beta. //K/sub. cap alpha. / transition probability ratios from the measurement of fluorescent X-ray intensities of some lanthanide compounds  

Energy Technology Data Exchange (ETDEWEB)

The effect that different chemical and physical atomic environments can have on the relative intensities of radiative electron transitions from the filling of K shell vacancies was investigated. The method used involved the detection of photoionization induced X-ray fluorescence. An experimental system based on a hyper pure germanium detector (HPGE) was used to measure the relative K-L and K-M X-ray yields from the photofluorescence of a series of lanthanide elements and compounds. A background subtraction and peak integration strategy was employed which accounted for scattering in the samples and scattering of the flux from the radioisotope photoionization sources. Analysis of the data resulted in a tabulation of relative K/sub ..beta..//K/sub ..cap alpha../ X-ray intensity ratios. The measured relative K/sub ..beta..//K/sub ..cap alpha../ X-ray intensity ratios were compared to the calculated values predicted by the theoretical development of ...

1987-01-01

277

K/sub #beta#//K/sub #alpha#/ transition probability ratios from the measurement of fluorescent X-ray intensities of some lanthanide compounds  

International Nuclear Information System (INIS)

The effect that different chemical and physical atomic environments can have on the relative intensities of radiative electron transitions from the filling of K shell vacancies was investigated. The method used involved the detection of photoionization induced X-ray fluorescence. An experimental system based on a hyper pure germanium detector (HPGE) was used to measure the relative K-L and K-M X-ray yields from the photofluorescence of a series of lanthanide elements and compounds. A background subtraction and peak integration strategy was employed which accounted for scattering in the samples and scattering of the flux from the radioisotope photoionization sources. Analysis of the data resulted in a tabulation of relative K/sub #beta#//K/sub #alpha#/ X-ray intensity ratios. The measured relative K/sub #beta#//K/sub #alpha#/ X-ray intensity ratios were compared to the calculated values predicted by the theoretical development of Scofield and ...

1987-01-01

278

Chemical evolution of formation waters in the Palm Valley gas field, Northern Territory  

International Nuclear Information System (INIS)

The chemical composition and evolution of formation waters associated with gas production in the Palm Valley field, Northern Territory, has important implications for reservoir management, saline water disposal, and gas reserve calculations. Historically, the occurrence of saline formation water in gas fields has been the subject of considerable debate. A better understanding of the origin, chemical evolution and movement of the formation water at Palm Valley has important implications for future reservoir management, disposal of highly saline water and accurate gas reserves estimation. Major and trace element abundance data suggest that a significant component of the highly saline water from Palm Valley has characteristics that may have been derived from a modified evaporated seawater source such as an evaporite horizon. The most dilute waters probably represent condensate and the variation in the chemistry of the ...

279

The effects of ventilation, filtration, and outdoor air on the composition of indoor air at a telephone office building  

Energy Technology Data Exchange (ETDEWEB)

Sensors installed at a telephone office building in Neenah, WI, continuously monitor 24 parameters related to the operation of the building's heating, ventilating, and air conditioning (HVAC) system. This data is stored in a dedicated minicomputer and can be retrieved, in various formats, for subsequent analyses. For more than a year, we have measured indoor and outdoor concentrations of both fine and coarse airborne particles, their chemical constituents, and volatile organic compounds at this same location. Using this data, we have examined the composition of the indoor air as it correlates to the composition of the outdoor air and the various HVAC operating parameters. The steady-state indoor concentrations of the particles, particulate constituents, and organic vapors can be explained in the context of a mass balance model. This model can also be used to calculate the rate at which selected chemicals are ...

1989-01-01

280

Self-lubricating performance and durability of ball bearings for the LE-7 liquid oxygen rocket-turbopump  

Energy Technology Data Exchange (ETDEWEB)

The durability of ball bearings, 32-mm- and 45-mm-bore, with a retainer or glass cloth-polytetrafluoroethylene (PTFE) laminate was tested under a high radial load at a speed of 20,000 rpm in LOX or LN2. The retainers were characterized as good self-lubricators because the abrasive glass-cloth fiber tips exposed on the retainer were chemicaly etched away with hydrofluoric acid (HF). During testing, the bearing-cartridge-acceleration was monitored to detect bearing damage. Testing in LOX for about 2.2 hr showed that excellent lubricating conditions were obtained for all bearings. Testing in LN2 for about 5.1 hr detected that the fatigue life of the bearing was about the same as the calculated B10 fatigue life. The HF chemical treatment resulted in a reacted fluoride-oxide material which remained in the etched part of the glass fiber. Several chemical products, particularly MgO, CaO, and CaCO3, enhanced adhesion of PTFE ...

1993-09-01

281

Controlling Schottky energy barriers in organic electronic devices using self-assembled monolayers  

Energy Technology Data Exchange (ETDEWEB)

We demonstrate tuning of Schottky energy barriers in organic electronic devices by utilizing chemically tailored electrodes. The Schottky energy barrier of Ag on poly[2-methoxy], 5-(2{prime}-ethyl-hexyloxy)- 1,4-phenylene was tuned over a range of more than 1 eV by using self-assembled monolayers (SAM{close_quote}s) to attach oriented dipole layers to the Ag prior to device fabrication. Kelvin probe measurements were used to determine the effect of the SAM{close_quote}s on the Ag surface potential. {ital Ab} {ital initio} Hartree-Fock calculations of the molecular dipole moments successfully describe the surface potential changes. The chemically tailored electrodes were then incorporated in organic diode structures and changes in the metal/organic Schottky energy barriers were measured using an electroabsorption technique. These results demonstrate the use of self-assembled monolayers to control metal/organic interfacial ...

1996-11-01

282

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

283

Photoresponsivity of ultraviolet detectors based on In{sub x}Al{sub y}Ga{sub 1-x-y}N quaternary alloys  

Energy Technology Data Exchange (ETDEWEB)

We describe the growth, fabrication, and characterization of an ultraviolet (UV) photoconductive detector based on In{sub x}Al{sub y}Ga{sub 1-x-y}N quaternary alloy that is lattice matched to GaN. The detector consisted of 0.1 {mu}m In{sub x}Al{sub y}Ga{sub 1-x-y}N alloy grown on 0.5-1.0 {mu}m GaN epilayer by metalorganic chemical vapor deposition. With varying indium concentration, the cut-off wavelength of the In{sub x}Al{sub y}Ga{sub 1-x-y}N detectors could be varied to the deep UV range. The most important and intriguing result is that the responsivity of the In{sub x}Al{sub y}Ga{sub 1-x-y}N quaternary alloy exceeded that of AlGaN alloy of a comparable cutoff wavelength by a factor of five. This makes the nitride quaternary alloy very important material for solar blind UV detectors applications particularly in the deep UV range where Al rich AlGaN alloys have problems with low quantum efficiency and cracks due in part to lattice mismatch ...

2000-08-07

284

Photoresponsivity of ultraviolet detectors based on In_xAl_yGa_1_-_x_-_yN quaternary alloys  

International Nuclear Information System (INIS)

We describe the growth, fabrication, and characterization of an ultraviolet (UV) photoconductive detector based on In_xAl_yGa_1_-_x_-_yN quaternary alloy that is lattice matched to GaN. The detector consisted of 0.1 #mu#m In_xAl_yGa_1_-_x_-_yN alloy grown on 0.5-1.0 #mu#m GaN epilayer by metalorganic chemical vapor deposition. With varying indium concentration, the cut-off wavelength of the In_xAl_yGa_1_-_x_-_yN detectors could be varied to the deep UV range. The most important and intriguing result is that the responsivity of the In_xAl_yGa_1_-_x_-_yN quaternary alloy exceeded that of AlGaN alloy of a comparable cutoff wavelength by a factor of five. This makes the nitride quaternary alloy very important material for solar blind UV detectors applications particularly in the deep UV range where Al rich AlGaN alloys have problems with low quantum efficiency and cracks due in part to lattice mismatch with GaN. The advantages of ...

2000-08-07

285

NMR of a synthetic peptide spanning the triphosphate binding site of adenosine 5'-triphosphate in actin  

Energy Technology Data Exchange (ETDEWEB)

The amino acid residues 114-118 in actin were found to be implicated strongly in the binding of nucleotide, and as would be expected for such an important binding site, they are located in a completely conserved region of the actin sequence. A 19-residue peptide with the actin sequence 106-124 was synthesized in order to span the putative triphosphate binding site. Proton NMR spectra of the actin peptide 114-118 in the presence and absence of ATP indicated that Arg-116 and Lys-118 are particularly involved in binding ATP. A strong binding of ATP to the peptide 106-124 also was measured. Tripolyphosphate bound to the peptide 106-124 somewhat more weakly than ATP. Binding involved residues 115-118 and 121-124, indicating the presence of a reverse turn between these segments. Proton resonances were assigned by using two-dimensional double quantum correlated spectroscopy, one-dimensional spin decoupling techniques, one-dimensional nuclear Overhauser enhancement ...

1987-03-10

286

Transuranic radionuclides dispersed into the environment at accident sites, a bibliography  

Energy Technology Data Exchange (ETDEWEB)

The purpose of this project was to compile a bibliography of references containing environmental transuranic radionuclide data. The authors intent was to identify those parameters affecting transuranic radionuclide transport that may be generic and those that may be dependent on chemical form and/or environmental conditions. An understanding of the unique characteristics and similarities between source terms and environmental conditions relative to transuranic radionuclide transport and cycling will provide the ability to assess and predict the long term impact on man and the environment. An additional goal of the literature review, was to extract the ranges of environmental transuranic radionuclide data from the identified references for inclusion in a data base. Related to source term, these ranges of data can be used to calculate the dose to man from the radionuclides, and to perform uncertainty analyses on these dose assessments.

1994-07-01

287

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

British Library Electronic Table of Contents (United Kingdom)

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 isostructura...

2008-01-01

288

Short-term impacts of air pollutants in Switzerland: Preliminary scenario calculations for selected Swiss energy systems  

Energy Technology Data Exchange (ETDEWEB)

In the frame of the comprehensive assessment of Swiss energy systems, air quality simulations were performed by using a 3-dimensional photo-chemical dispersion model. The objective is to investigate the impacts of pollutants in Switzerland for future options of Swiss energy systems. Four scenarios were investigated: Base Case: simulations with the projected emissions for the year 2030, Scenario 1) all nuclear power plants were replaced by oil-driven combined cycle plants (CCP), Scenarios 2 to 4) traffic emissions were reduced in whole Switzerland as well as in the cities and on the highways separately. Changes in the pollutant concentrations and depositions, and the possible short-term impacts are discussed on the basis of exceedences of critical levels for plants and limits given to protect the public health. (author) 2 figs., 7 refs.

1999-08-01

289

Rocky Mountain Arsenal, Basin F liquid storage tank spill, draft risk assessment  

Energy Technology Data Exchange (ETDEWEB)

The scope of this RA is limited to the evaluation of potential human health risks associated with a failure event of a tank containing Basin F liquid. Section 1.0 contains an introduction to the health risk assessment. Section 2.0 describes the site history, location, and land use. Section 3.0 provides a brief description of exposure pathways and potention receptors. Section 4.0 describes the sources of data used and identifies chemicals of concern. Section 5.0 discusses the toxicity of concern. Section 6.0 explains the methods used for calculation of carcinogenic risks and the noncarcinogenic hazard indexes. Section 7.0 describes uncertainties inherent in the current methodology used to determine potential human health risks. Section 8.0 presents a summary of results and conclusions. Section 9.0 includes the references cited.

1993-04-01

290

Recent developments in the CONTAIN-LMR code  

International Nuclear Information System (INIS)

Through an international collaborative effort, a special version of the CONTAIN code is being developed for integrated mechanistic analysis of the conditions in liquid metal reactor (LMR) containments during severe accidents. The capabilities of the most recent code version, CONTAIN LMR/1B-Mod.1, are discussed. These include new models for the treatment of two condensables, sodium condensation on aerosols, chemical reactions, hygroscopic aerosols, and concrete outgassing. This code version also incorporates all of the previously released LMR model enhancements. The results of an integral demonstration calculation of a sever core-melt accident scenario are given to illustrate the features of this code version. 11 refs., 7 figs., 1 tab.

1990-08-12

291

Mixed-ligand complexes of scandium with 4-(2-pyridylazo)resorcinol and monocarboxylic acids  

International Nuclear Information System (INIS)

Scandium reacts with 4-(2-pyridylazo)resorcinol in the presence of monocarboxylic acids (X) to form mixed-ligand complexes with a Sc:PAR:x ratio of 1:2:2. The chemical nature of this interaction has been established, and the extraction of these mixed-ligand complexes has also been investigated; stability constants and molar extinction coefficients have been calculated. The values of the latter decrease in the order CH_3COOH > CH_2ClCOOH > CCl_3COOH. The formation and extraction of mixed-ligand complexes in Sc-PAR-HX systems make it possible to increase the sensitivity and selectivity of scandium determination in comparison with the use of the Sc-PAR mono-ligand complex.

1987-09-01

292

Enthalpy and mass flowrate measurements for two-phase geothermal production by Tracer dilution techniques  

Energy Technology Data Exchange (ETDEWEB)

A new technique has been developed for the measurement of steam mass flowrate, water mass flowrate and total enthalpy of two-phase fluids produced from geothermal wells. The method involves precisely metered injection of liquid and vapor phase tracers into the two-phase production pipeline and concurrent sampling of each phase downstream of the injection point. Subsequent chemical analysis of the steam and water samples for tracer content enables the calculation of mass flowrate for each phase given the known mass injection rates of tracer. This technique has now been used extensively at the Coso geothermal project, owned and operated by California Energy Company. Initial validation of the method was performed at the Roosevelt Hot Springs geothermal project on wells producing to individual production separators equipped with orificeplate flowmeters for each phase.

1993-01-28

293

Electronic and spectral properties of adatoms on metals in electrostatic fields  

Energy Technology Data Exchange (ETDEWEB)

Electrostatic fields of the order of 1 V/Angst, as they occur at field emission tips, are comparable to those experienced by valence electrons in atoms and molecules. Such fields are strong enough to induce a significant redistribution of the valence charge in chemical bonds. In this work we investigate the effects on the electronic properties of a single adatom on a metal surface induced by the presence of an electrostatic field. In particular we present the results of a full ab initio DFT calculation, within the embedding method, of the CCV Auger spectra of Si and Mg atoms in and on a jellium-Ag host. Differently from impurities in bulk, Auger spectral profiles of adsorbates on metal surfaces can show notable modifications due to the applied electric field.

2002-11-15

294

Electrochemical and gas phase parameters of cathodes for intermediate temperature solid oxide fuel cells  

International Nuclear Information System (INIS)

A series of cyclic voltammetry, chronoamperometry and electrochemical impedance experiments have been carried out in order to investigate the effect of cathode composition and porosity on the electrochemical characteristics of strontium-doped lanthanum, praseodymium and gadolinium cobaltite cathodes. The impedance responses at different electrode potentials of the half cell and symmetric single cell setups are compared and analyzed by the equivalent circuit modeling method. The deconvolution of impedance spectra for single cell cathode and anode reactions contributions based on the results of simultaneous analysis of half cells and symmetric single cells has been made by differential impedance real part vs. ac frequency plot analysis method. Noticeable influence of cathode chemical composition, meso-porosity and macro-porosity on the electrochemical activity of the oxygen electroreduction has been demonstrated. Seeming activation energy values have been ...

2010-11-01

295

Effects of dietary fibre on subjective appetite, energy intake and body weight: a systematic review of randomized controlled trials  

British Library Electronic Table of Contents (United Kingdom)

Summary Dietary fibres are believed to reduce subjective appetite, energy intake and body weight. However, different types of dietary fibre may affect these outcomes differently. The aim of this review was to systematically investigate the available literature on the relationship between dietary fibre types, appetite, acute and long-term energy intake, and body weight. Fibres were grouped according to chemical structure and physicochemical properties (viscosity, solubility and fermentability). Effect rates were calculated as the proportion of all fibre-control comparisons that reduced appetite (n-=-58 comparisons), acute energy intake (n-=-26), long-term energy intake (n-=-38) or body weight (n-=-66). For appetite, acute energy intake, long-term energy intake and body weight, there were cl...

2011-01-01

296

Development of a detailed kinetic model for gasoline surrogate fuels  

Energy Technology Data Exchange (ETDEWEB)

A detailed chemical kinetic model to describe the autoignition of gasoline surrogate fuels is presented consisting of the fuels iso-octane, n-heptane, toluene, diisobutylene and ethanol. Model predictions have been compared with shock tube ignition delay time data for surrogates of gasoline over practical ranges of temperature and pressure, and the model has been found to be sensitive to both changes in temperature and pressure. Moreover, the model can qualitatively predict the observed synergistic and antagonistic non-linear blending behaviour in motor octane number (MON) for different combinations of primary reference fuels (PRFs) and non-PRFs by correlating calculated autoignition delay times from peak pressures and temperatures in the MON test to experimental MON values. The reasons for the blending behaviour are interpreted in terms autoignition chemistry. 37 refs., 11 figs., 4 tabs.

2008-08-15

297

Decays of "1"0"1Mo and "1"0"1Tc  

International Nuclear Information System (INIS)

The activities "1"0"1Mo and "1"0"1Tc produced from neutron capture by natural Mo were chemically separated and studied using Ge(Li) #gamma#-ray detectors. Out of 185 transitions observed in the decay of "1"0"1Mo, 170 were assigned to 44 excited levels in "1"0"1Tc. For the decay of "1"0"1Tc, 26 of 27 transitions were placed among 10 excited levels in "1"0"1Ru. The interpretation of the "1"0"1Tc level scheme using the shell-model approach is not satisfactory even for a five-particle calculation. Systematics of odd-A level structures in the region of A=101 indicate that the level structure of "1"0"1Tc could be due partly to the onset of collective effects.

298

Decay of Neutron-Rich Mn Nuclides and Deformation of Heavy Fe Isotopes  

Energy Technology Data Exchange (ETDEWEB)

The use of chemically selective laser ionization combined with {beta} -delayed neutron counting at CERN/ISOLDE has permitted identification and half-life measurements for 623-ms {sup 61}Mn up through 14-ms {sup 69}Mn . The measured half-lives are found to be significantly longer near N=40 than the values calculated with a quasiparticle random-phase-approximation shell model. Gamma-ray singles and coincidence spectroscopy has been performed for {sup 64,66}Mn decays to levels of {sup 64,66}Fe , revealing a significant drop in the energy of the first 2{sup +} state in these nuclides that suggests an unanticipated increase in collectivity near N=40 . {copyright} {ital 1999} {ital The American Physical Society }

1999-02-01

299

Decay of Neutron-Rich Mn Nuclides and Deformation of Heavy Fe Isotopes  

International Nuclear Information System (INIS)

The use of chemically selective laser ionization combined with #beta# -delayed neutron counting at CERN/ISOLDE has permitted identification and half-life measurements for 623-ms "6"1Mn up through 14-ms "6"9Mn . The measured half-lives are found to be significantly longer near N=40 than the values calculated with a quasiparticle random-phase-approximation shell model. Gamma-ray singles and coincidence spectroscopy has been performed for "6"4","6"6Mn decays to levels of "6"4","6"6Fe , revealing a significant drop in the energy of the first 2"+ state in these nuclides that suggests an unanticipated increase in collectivity near N=40 . copyright 1999 The American Physical Society.

1999-02-01

300

Consumption of filtered and boiled coffee and the risk of incident cancer: a prospective cohort study  

British Library Electronic Table of Contents (United Kingdom)

Background Despite potentially relevant chemical differences between filtered and boiled coffee, this study is the first to investigate consumption in relation to the risk of incident cancer. Methods Subjects were from the V?sterbotten Intervention Project (64,603 participants, including 3,034 cases), with up to 15?years of follow-up. Hazard ratios (HR) were calculated by multivariate Cox regression. Results No associations were found for all cancer sites combined, or for prostate or colorectal cancer. For breast cancer, boiled coffee ?4 versus <1 occasions/day was associated with a reduced risk (HR?=?0.52, CI?=?0.30?0.88, p trend?=?0.247). An increased risk of premenopausal and a reduced risk of postmenopausal breast cancer were found for both total (HRpremenopausal?=?1.69, CI?=?0.96?2.98...

2010-01-01

301

Calculations using the OSPM model of NO sub x and CO air pollution in Bredgade, Copenhagen. [Denmark. Operational Street Pollution Model. Nitrogen oxides, carbon monoxide]. Beregninger med OSPM-modellen af NO sub x - og CO-luftforurening i Bredgade, Koebenhavn  

Energy Technology Data Exchange (ETDEWEB)

The emission of air pollutants from road vehicles is the most significant source of air pollution in towns. The chemical composition of these pollutive substances is dependent on the fuel, the type of vehicle and the character of the traffic system. The pollution concentration was measured, (nitrogen oxides and carbon monoxide) in relation to each type of vehicle, in four streets in the Copenhagen area. The system of measurement used was the ''Operational Street Pollution Model'' (OSPM). Results are presented in the form of tables and charts. (AB) 11 refs.

1991-01-01

302

ASPEN simulation of environmental control processes: Final report  

Energy Technology Data Exchange (ETDEWEB)

The United States Department of Energy (DOE) at the Morgantown Energy Technology Center (METC) contracted with P.S. Lowell and Co. Inc. (Lowell and Co.) and Jay S. Dweck, Consultant, Inc., (JSD) to enhance the capability of ASPEN in simulating coal gasification and oil shale processing plants. Of particular concern was the capability to predict the distribution of environmentally significant components among the various aqueous and organic liquids and gas streams within or leaving the process. The project was divided into major task areas. The first was to develop and implement the calculational routines necessary for predicting aqueous electrolyte chemical reactions. Part of this effort also was to select a species list and collect and/or regress data for the necessary parameters. The second task was to develop and implement a multi-phase flash capability (including precipitated solids) and unit operations models for a venturi and a ...

1988-04-01

303

A new method for adiabatic flame temperature estimations of hydrocarbon fuels  

Energy Technology Data Exchange (ETDEWEB)

This paper presents the application of artificial neural networks to adiabatic flame temperature prediction of hydrocarbon fuels. The investigation was conducted over a wide range of operating conditions in terms of fuel composition, pressure and temperature of reactants, fuel-air equivalence ratio and fuel vapour fraction. Several neural network models for predicting the flame temperature for different applicable fuel ranges were built and examined. The proper preparation of network training data and the appropriate choice of network parameters for achieving better prediction accuracy are discussed. The neural network prediction results were compared with those calculated by a thermodynamic and chemical equilibrium-based computer code - the NASA program CET89. It was shown that trained neural network models can provide the adiabatic flame temperature prediction with a good level of accuracy over a wide range of operating conditions. 16 refs., ...

1999-03-01

304

Understanding of the volatility of GeO/sub 2/ in the presence of WO/sub 2/  

Energy Technology Data Exchange (ETDEWEB)

The equilibria composition of the gaseous and the solid phase in the system GeO/sub 2//WO/sub 2/ is calculated with an improved thermodynamical program for temperatures 1100 < T < 1400 K and constant volume. By means of the results the experimental observed migration of GeO/sub 2/ in the presence of WO/sub 2/ in a temperature gradient T/sub 2/ ..-->.. T/sub 1/ (1200 ..-->.. 1100 K) in sealed evacuated silica tubes is due to a chemical transport with H/sub 2/ as the transporting agent. The H/sub 2/ is formed by H/sub 2/O which is desorbed by the quartz glass of the ampoules. The also observed volatility of WO/sub 2/ and its deposition in form of Ge/sub 0.75/W/sub 3/O/sub 9/ at the 'cold' end (T/sub 1/) of the tubes is performed by gaseous GeWO/sub 4/. The calculated and experimental transport rates are compared and discussed.

1983-08-01

305

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

306

Oxidation, volatilization, and redistribution of molybdenum from TZM alloy in air  

Energy Technology Data Exchange (ETDEWEB)

The excellent high temperature strength and thermal conductivity of molybdenum-base alloys provide attractive features for components in advanced magnetic and inertial fusion devices. Refractory metal alloys react readily with oxygen and other gases. Oxidized molybdenum in turn is susceptible to losses from volatile molybdenum trioxide species, MoO{sub 3}(m), in air and the hydroxide, MoO{sub 2}(OH){sub 2}, formed from water vapor. Transport of radioactivity by the volatilization, migration, and re-deposition of these volatile species during a potential accident involving a loss of vacuum or inert environment represents a safety issue. In this report the authors present experimental results on the oxidation, volatilization and re-deposition of molybdenum from TZM in flowing air between 400 and 800 C. These results are compared with calculations obtained from a vaporization mass transfer model using chemical thermodynamic data for vapor ...

2000-01-01

307

Oxidation, Volatilization, and Redistribution of Molybdenum from TZM Alloy in Air  

Energy Technology Data Exchange (ETDEWEB)

The excellent high temperature strength and thermal conductivity of molybdenum-base alloys provide attractive features for components in advanced magnetic and inertial fusion devices. Refractory metal alloys react readily with oxygen and other gases. Oxidized molybdenum in turn is susceptible to losses from volatile molybdenum trioxide species, (MoO3)m, in air and the hydroxide, MoO2(OH)2, formed from water vapor. Transport of radioactivity by the volatilization, migration, and re-deposition of these volatile species during a potential accident involving a loss of vacuum or inert environment represents a safety issue. In this report we present experimental results on the oxidation, volatilization and re-deposition of molybdenum from TZM in flowing air between 400 and 800°C. These results are compared with calculations obtained from a vaporization mass transfer model using chemical thermodynamic data for vapor pressures of MoO3(g) over ...

2000-01-01

308

On the off-design of a natural gas-fired combined cycle with CO{sub 2} capture  

Energy Technology Data Exchange (ETDEWEB)

During the last 15 years cycles with CO{sub 2} capture have been in focus, due to the growing concern over our climate. Often, a natural gas fired combined cycle with a chemical absorption plant for CO{sub 2} capture from the flue gases have been used as a reference in comparisons between cycles. Neither the integration of the steam production for regeneration of amines in the combined cycle nor the off-design behaviour of such a plant has been extensively studied before. In this paper, the integration of steam production for regeneration of the amines is modelled at design load and studied in off-design conditions for a combined cycle. Different ambient conditions and part-load strategies and their influence on the cycle performance are also examined. Of particular interest is a novel strategy with the possibility of longer life of gas turbine blading, with marginal loss in efficiency. The off-design performance of the combined cycle is modelled in a rigorous way ...

2007-04-15

309

Mound Facility activities in chemical and physical research: July--December 1977. [Kr-Xe and Kr-Ar diffusion; Ne-Ar thermal diffusion  

Science.gov (United States)

Isotope separation of Ar, C, /sup 3/He, Kr, Ne, O, and Xe isotopes is reported. TiFeH/sub x/, TiCoH/sub x/, TiCuH/sub x/, and VH/sub x/ were studied using NMR (proton relaxation times). VD/sub x/ and VT/sub x/ were synthesized. The problem of calculating the valence state of Pu is discussed. A series solution to the plutonium (N,H) characteristic equation is suggested. Shipments of /sup 231/Pa, /sup 230/Th, and /sup 229/Th are reported. Separation and processing of /sup 234/U are also reported. Theoretical methods were developed to calculate temperature distributions as functions of water flow rate in liquid thermal diffusion columns. Diffusion coefficients were measured from 300 to 1200/sup 0/K for Kr-Xe and Kr-Ar. New thermal diffusion factors are submitted for Ne-Ar.

1978-05-01

310

Assessment of the nuclide concentration estimates with CASMO-4E with experimental data for very high burn-up UO_2 and MOX fuels  

International Nuclear Information System (INIS)

In this paper a computational analysis of 11 fuel samples (seven UO_2 and four MOX) with a burn-up ranging from 20 MWd/kgHM up to 121 MWd/kgHM (HM: Heavy Metal) is carried out with the depletion module of the lattice code CASMO-4E [Rhod01, Rhod01b] using the neutron data libraries ENDF/B-VI and JEF-2.2 and a pin cell model. In order to assess the accuracy of the model and the depletion calculation in the determination of the isotopic inventory after several irradiation cycles, the calculated results were compared to experimental data gathered from a chemical isotopic analysis of the fuel samples performed at the Hot Laboratory at the Paul Scherrer Institut (PSI), Switzerland. Selected results of this comparison, which includes 54 isotopes (17 actinides and 37 fission products), are presented here. (orig.)

311

Analysis of EPA`s cost-effectiveness study for the coastal oil and gas effluent limitations guidelines  

Energy Technology Data Exchange (ETDEWEB)

The US Environmental Protection Agency (EPA) conducted a cost-effectiveness (CE) analysis to estimate the incremental cost of complying with the proposed effluent limitation guidelines (ELGs) for the coastal oil and gas industry (EPA 1995a). EPA`s CE analysis calculates the pounds of each pollutant that would be removed if the chosen discharge option is selected. In 1993, EPA issued final ELGs for the offshore oil and gas industry and published an offshore CE analysis. The chemical characteristics of produced water from the offshore region are essentially the same as those of produced water from the coastal region. It was surprising, therefore, that EPA chose a much longer list of pollutants and generally stricter weighting factors for the coastal CE analysis. This report reviews the data, assumptions, and analyses used in EPA`s coastal CE analysis and identifies alternate data, assumptions, and analyses that could lead to significantly ...

1995-05-01

312

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

313

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 obtain the ...

2006-12-15

314

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

315

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

316

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

317

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

318

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

319

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

320

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

321

Evaluation method for grate combustion (EMGC); Utvaerderingsmetod foer eldning i rostpannor  

Energy Technology Data Exchange (ETDEWEB)

The aim with this project sponsored by Energimyndigheten is to develop a method for calculations of grate boilers fueled by bark. This report describes this project, 'Evaluation Method for Grate Combustion' (EMGC). CFD codes is an engineering tool applicable in the area of the over-grate section called the furnace. This part of the boiler is easy to model for an experienced CFD code user and the results are usually quite satisfactory for evaluating the combustion process in general. Various gas phases reactions and related combustion processes over the burning bed can be simulated including air staging, fuel staging and SNCR. However the simulation needs information of amount and properties of the burning bed products, entering the furnace. The simulation of the in-furnace processes without this information is often just a numerical speculation. A predictive mathematical model based on physical and chemical data for the grate ...

2000-04-01

322

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

323

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

324

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

325

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

326

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

327

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

328

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

329

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

330

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

331

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

332

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

333

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

334

The economic limits of in situ leach mining  

International Nuclear Information System (INIS)

Different technological procedures used for the chemical mining of uranium differ for one thing with a level of the deposit exploitation and for another with the expenditures. It is necessary to find out the highest acceptable value of the costs per unit of production - limit unit costs. This criterion serves both for selection of the minable parts of deposit, and for determination of the exploitation level of the deposit parts. The paper describes a calculation of the costs and their decomposition into the fixed and variable costs. An evaluation of the different variants of the deposit exploitation is based on the variable costs, expressed in the dependence on the parameters of technological procedure. These parameters are either primary, e.g. density of the wells or dosage of reagents, or secondary, e.g. the uranium production. A relation between primary and secondary variables is defined by the technological models. The first economic ...

2002-03-01

335

Methodology for calculating guideline concentrations for safety shot sites  

Energy Technology Data Exchange (ETDEWEB)

Residual plutonium (Pu), with trace quantities of depleted uranium (DU) or weapons grade uranium (WU), exists in surficial soils at the Nevada Test Site (NTS), Nellis Air Force Range (NAFR), and the Tonopah Test Range (TTR) as the result of the above-ground testing of nuclear weapons and special experiments involving the detonation of plutonium-bearing devices. The special experiments (referred to as safety shots) involving plutonium-bearing devices were conducted to study the behavior of Pu as it was being explosively compressed; ensure that the accidental detonation of the chemical explosive in a production weapon would not result in criticality; evaluate the ability of personnel to manage large-scale Pu dispersal accidents; and develop criteria for transportation and storage of nuclear weapons. These sites do not pose a health threat to either workers or the general public because they are under active institutional control. The DOE is committed to remediating ...

1997-06-01

336

ASPEN simulation of environmental control processes, Task 1  

Energy Technology Data Exchange (ETDEWEB)

P.S. Lowell and Co., Inc. (Lowell and Co.) and Jay S. Dweck, Consultant, Inc. (JSD) under contract to the US Department of Energy (DOE) Morgantown Energy Technology Center (METC) have developed and implemented an aqueous electrolyte calculation capability into the ASPEN (Advanced System for Process Engineering) process simulator. This report documents the efforts of Task 1 which were to implement the basic calculational capability. Task 2 involves development of several unit operations models and demonstration of the models in simulating environmental control processes in coal gasification and shale oil processing plants. Task 1 of the project involved several subtasks: selection of a chemical equilibrium algorithm; selection of activity coefficient algorithms; selection of species for inclusion in the initial implementation; collection of required data for the selected species; regression of parameters not found in the ...

1986-07-01

337

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

338

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

339

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

340

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

341

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

342

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

343

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

344

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

346

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

347

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

348

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

349

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

350

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

351

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

352

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

353

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

354

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

355

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, equivalent to a gauge ...

2010-01-01

356

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

357

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

358

Prediction of Chemicals Ecotoxicity  

International Science & Technology Center (ISTC)

Computer-Aided Prediction of Chemical Ecotoxicity on the basis of Quantitative Structure-Activity Relationships with the Use of Physico-Chemical Descriptors, Including H-bond Parameters

359

Cell proliferation and chemical carcinogenesis: symposium overview.  

UK PubMed Central (United Kingdom)

Cancer, by definition, is a proliferative disease. The fundamental scientific issue explored at the international symposium "Cell Proliferation and Chemical Carcinogenesis" was the impact of chemically...Full Text Available

1993-12-01

360

CHEMICAL LEUCODERMA: INDIAN SCENARIO, PROGNOSIS, AND TREATMENT  

UK PubMed Central (United Kingdom)

Chemical leucoderma is an industrial disorder in developed countries and the common causative chemicals are phenols and catechols. Due to stringent controls and preventive measures the incidence has...Full Text Available

2010-07-01

361

The role of condensed carbonaceous materials on the sorption of hydrophobic organic contaminants in subsurface sediments.  

Science.gov (United States)

The identification and characterization of carbonaceous materials (CMs) that control hydrophobic organic chemical (HOC) sorption is essential to predict the fate and transport of HOCs in soils and sediments. The objectives of this paper are to determine the types of CMs that control HOC sorption in the oxidized and reduced zones of a glacially deposited groundwater sediment in central Illinois, with a special emphasis on the roles of kerogen and black carbon. After collection, the sediments were treated to obtain fractions of the sediment samples enriched in different types of CMs (e.g., humic acid, kerogen, black carbon), and selected fractions were subject to quantitative petrographic analysis. The original sediments and their enrichment fractions were evaluated for their ability to sorb trichloroethene (TCE), a common groundwater pollutant. Isotherm results and mass fractions of CM enrichments were used to calculate sorption contributions of ...

2008-03-01

362

Reprocessed uranium fuel fabrication in Japan  

International Nuclear Information System (INIS)

Nuclear fuel vendors in Japan are now studying reprocessed uranium (RepU) fuel in order to prepare for full scale utilization in the future. Separate studies are made for PWR and BWR fuel. The study consists of 2 phrases. The purposes of phase-1 are to understand various RepU characteristics in the fuel fabrication process, to analyze the core characteristics by loading RepU assemblies, to solve the problems clarified in the study, and to collect basic data for licensing. In phase-2, the effects of impurities on the fabrication process will be evaluated, and the safety of RepU fuel manufacturing will be confirmed with a RepU fuel fabrication campaign in 1990. The neutronic data will be collected after insertion into power reactors, and the data will be used to verify plant safety for full utilization of RepU in the future. This paper summarizes the phase-1 study results. 1. RepU Characteristics. The internal and external radiation exposures due to nuclide impurities in RepU, were ...

1990-12-01

363

Experimental investigation of the KLL Auger spectrum of "8"8Sr from the EC-decay of "8"8Y  

International Nuclear Information System (INIS)

According to the calculations, intensity of the KL_1L_2("3P_0) Auger transition should drastically increase with increasing atomic number Z due to the relativistic effects. However, this behavior was experimentally proved only for very few elements. A lack of enough precise experimental data in the atomic number region Z<45 does not enable one to distinguish between relativistic and non-relativistic approaches in this region. Thus for Z=38 the KL_1L_2("3P_0/"1P_1) intensity ratio was determined with relative uncertainty of 63 % in the only measurement with external excitation. Here we present results of our investigation of the KLL Auger electron spectrum of "8"8Sr generated in the EC decay of "8"8Y (T_1_/_2= 106.6 d). Electron spectra were measured with the 11 eV instrumental resolution using a combined electrostatic spectrometer. The present value of the KL_2L_3("1D_2) absolute transition energy in Sr is higher by 7.4 eV (i.e. more than 3#sigma#) then that ...

2007-06-04

364

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

365

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 vacuum expectation ...

2001-10-15

366

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 VEVs, leaving a gauge ...

2001-07-25

367

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

377

Comparison of thermochemically calculated and measured dioxin contents in the off-gas of a sinter plant  

Energy Technology Data Exchange (ETDEWEB)

Polychlorinated dibenzo-p-dioxins and dibenzo-furans form a family of more than 200 compounds which are relatively stable in the biosphere and tend to accumulate in the human body. The tetra- to hexa-chlorinated dioxins and furans are considered highly toxic. To facilitate the assessment of the total toxicity of dioxin and furan mixtures, the estimated toxic effects of the individual compounds relative to the 2,3,7,8-tetrachloro-dibenzo-p-dioxin (TCDD) were introduced as Toxic Equivalent Factors which yield, when multiplied with the respective concentrations, the Toxic Equivalent (TE) of the mixture. Toxic dioxins and furans are unintentionally formed in a number of industrial combustion processes such as waste incineration and iron ore sintering, in the chemical industry and in household heating. To keep the emissions as low as possible, off-gas clearing systems for the collection of dioxins and furans are increasingly prescribed by the authorities. In addition, ...

1997-12-31

378

Massage Therapy  

Medline Plus

... Massage therapy can help the body release certain chemicals. These chemicals help us relax, improve blood circulation and get ...

379

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

380

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

381

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

382

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

383

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

384

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

385

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.).

386

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

387

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

388

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

389

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

390

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

391

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

392

Laboratory evaluation of the feasibility of chemical oxidation processes for treatment of contaminated groundwaters. Final report  

Energy Technology Data Exchange (ETDEWEB)

Chemical oxidation is a treatment technology that uses powertul chemical oxidizers to destroy organic contaminants. Typical oxidizers used in chemical oxidation processes include ozone, hydrogen peroxide, chlorine, and potassium permanganate. The chemical reaction products are usually simple organic compounds, such as carboxylic acids, and/or inorganic compounds, such as carbon dioxide, water, and simple inorganic complexes (e.g., chloride salts, in the case of chemical oxidation treatment of chlorinated solvents).

1995-09-01

393

Coatings with controlled porosity and chemical properties  

Energy Technology Data Exchange (ETDEWEB)

Coatings and sensors having both steric and chemical selectivity. Controlled porosity provides the steric selectivity, whereas chemically tailored film properties, using controlled composition or modification by coupling agents, chemical species replacement, or chemical species within pores, provide the chemical selectivity. Single or multiple layers may be provided.

1996-01-01

394

The quantum N-body problem with a minimal length  

CERN Document Server

The quantum $N$-body problem is studied in the context of nonrelativistic quantum mechanics with a one-dimensional deformed Heisenberg algebra of the form $[\\hat x,\\hat p]=i(1+\\beta \\hat p^2)$, leading to the existence of a minimal observable length $\\sqrt\\beta$. For a generic pairwise interaction potential, analytical formulas are obtained that allow to estimate the ground-state energy of the $N$-body system by finding the ground-state energy of a corresponding two-body problem. It is first shown that, in the harmonic oscillator case, the $\\beta$-dependent term grows faster with $N$ than the $\\beta$-independent one. Then, it is argued that such a behavior should be observed also with generic potentials and for $D$-dimensional systems. In consequence, quantum $N$-body bound states might be interesting places to look at nontrivial manifestations of a minimal length since, the more particles are present, the more the ...

2010-01-01

395

Holomorphic wave function of the Universe  

Energy Technology Data Exchange (ETDEWEB)

The quantum behavior of the vacuum Bianchi type-IX universe with the cosmological constant is investigated in terms of the Ashtekar variables. An exact solution to the quantum Hamiltonian constraint in the holomorphic representation is given. This solution reduces to the Hartle-Hawking wave function in the spatially isotropic sector and extends in the triad representation to the classically forbidden region where the determinant of the spatial metric becomes negative. The analysis of the quantum Robertson-Walker universe indicates that if the superspace is extended to such a classically forbidden region, the holomorphic representation picks up some restricted class of solutions in general. This observation leads to a new ansatz on the boundary condition of the Universe. In particular, the behavior of the Lorentzian and Euclidean WKB orbits corresponding to the solution suggests a new picture on the semiclassical behavior of ...

1990-10-15

396

Holomorphic wave function of the Universe  

International Nuclear Information System (INIS)

The quantum behavior of the vacuum Bianchi type-IX universe with the cosmological constant is investigated in terms of the Ashtekar variables. An exact solution to the quantum Hamiltonian constraint in the holomorphic representation is given. This solution reduces to the Hartle-Hawking wave function in the spatially isotropic sector and extends in the triad representation to the classically forbidden region where the determinant of the spatial metric becomes negative. The analysis of the quantum Robertson-Walker universe indicates that if the superspace is extended to such a classically forbidden region, the holomorphic representation picks up some restricted class of solutions in general. This observation leads to a new ansatz on the boundary condition of the Universe. In particular, the behavior of the Lorentzian and Euclidean WKB orbits corresponding to the solution suggests a new picture on the semiclassical behavior of ...

397

Free-field representation of the quantum affine algebra U_q(sl_2) and form factors in the higher-spin XXZ model  

International Nuclear Information System (INIS)

We consider the spin-k/2 XXZ model in the antiferromagnetic regime using the free-field realization of the quantum affine algebra U_q(sl_2) of level k. We give a free-field realization of the type-II q-vertex operator, which describes creation and annihilation of physical particles in the model. By taking a trace of the type-I and type-II q-vertex operators over the irreducible highest-weight representation of U_q(sl_2), we also derive an integral formula for form factors in this model. Investigating the structure of poles, we obtain a residue formula for form factors, which is a lattice analog of the higher-spin extension of Smirnov's formula in the massive integrable quantum field theory. This result as well as the quantum deformation of the Knizhnik-Zamolodchikov equation for form factors shows a deep connection in the mathematical structure of the integrable lattice models and the massive integrable ...

1994-12-01

398

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 using the obtained ...

2010-11-01

399

Fully relativistic analysis of the absorption spectra of Ca{sub 3}Sc{sub 2}Ge{sub 3}O{sub 12}:Ni{sup 2+}  

Energy Technology Data Exchange (ETDEWEB)

Systematic analysis of the energy level schemes, ground state absorption (GSA) and covalency effects for the Ni{sup 2+} ion in Ca{sub 3}Sc{sub 2}Ge{sub 3}O{sub 12} was performed. The recently developed first-principles approach to the analysis of the absorption spectra of impurity ions in crystals based on the discrete variational multi-electron method (DV-ME) [K. Ogasawara et al., Phys. Rev. B 64, 115413 (2001)] was used in the calculations. As a result, complete energy level schemes of Ni{sup 2+} and its absorption spectra at both possible crystallographic positions (distorted octahedral Sc{sup 3+} and tetrahedral Ge{sup 4+} positions) were calculated, assigned and compared with experimental data. Energies of the charge transfer (CT) transitions for both positions are estimated. Numerical contributions of all possible electron configurations into the calculated energy states were determined. By performing analysis of the ...

2006-10-15

400

Temperature-dependent properties of semiconductor quantum dots in coherent regime; Temperaturabhaengige Eigenschaften einzelner Halbleiter-Quantenpunkte im Kohaerenten Regime  

Energy Technology Data Exchange (ETDEWEB)

Recently, the public has become aware of keywords like ''Quantum computer'' or ''Quantum cryptography''. Regarding their potential application in solid state based quantum information processing and their overall benefit in fundamental research quantum dots have gained more and more public interest. In this context, quantum dots are often referred to as ''artificial atoms'', a term subsuming their physical properties quite nicely and emphasizing the huge potential for further investigations. The basic mechanism to be considered is the theoretical model of a two-level system. A quantum dot itself represents this kind of system quite nicely, provided that only the presence or absence of a single exciton in the ground state of that structure is regarded. This ...

2009-10-15

402

Hybrid apparatus for Bose-Einstein condensation and cavity quantum electrodynamics: Single atom detection in quantum degenerate gases  

International Nuclear Information System (INIS)

We present and characterize an experimental system in which we achieve the integration of an ultrahigh finesse optical cavity with a Bose-Einstein condensate (BEC). The conceptually novel design of the apparatus for the production of BECs features nested vacuum chambers and an in vacuo magnetic transport configuration. It grants large scale spatial access to the BEC for samples and probes via a modular and exchangeable ''science platform.'' We are able to produce 87Rb condensates of 5x106 atoms and to output couple continuous atom lasers. The cavity is mounted on the science platform on top of a vibration isolation system. The optical cavity works in the strong coupling regime of cavity quantum electrodynamics and serves as a quantum optical detector for single atoms. This system enables us to study atom optics on a single particle level and to further develop the field of quantum atom optics. We describe the technological ...

2006-06-01

403

Tool Life Prediction for Ceramic Tools in Intermittent Turning of Hardened Steel Based on Damage Evolution Model  

Science.gov (United States)

Al2O3-based ceramic is one of the most widely used materials for tools employed in hardened steel turning applications due to its high hardness, wear resistance, heat resistance and chemical stability. The objective of this work is to predict the lives of Al2O3-(W, Ti)C ceramic tools in intermittent turning of hardened AISI 1045 steel by means of damage evolution model taking into account the mechanical loading and thermal effect in the cutting process. A damage evolution model analyzing the RVE with uniformly distributed interacting cracks is constructed based on micromechanics. The calculated results of the proposed damage evolution model are compared with the lives of two kinds of Al2O3-(W, Ti)C ceramic tools obtained through experiments. It is found that the proposed model can be used to predict the lives of the ceramic cutting tools in intermittent turning operation.

2011-07-01

404

Study on the correlation between chemical and mineral composition of coal ashes; Sekitanbaibun no kobutsu soseigakuteki kento kagakubutsu sosei to kobutsugakuteki sosei no sokan  

Energy Technology Data Exchange (ETDEWEB)

Coal ash is a substance that has been mixed into minerals in the earth`s crust during their coalification process. Estimation was made on what kinds of mineral composition have been mixed into coals. Noted first was the kinds of compounds contained in the ash, wherein the ratios of mass in the compounds and minerals were correlated, and selection was made on minerals which are thought correlated. The selection criterion was based on minerals containing silica, alumina, iron oxide, lime and magnesium as compounds. Then, a phase equilibrium line diagram was used to estimate compositions and melting points of minerals which are thought to have been produced from these compounds. By comparing the estimation with the measured melting points of the ashes, mineral compositions thought reasonable were all selected. Assumption was possible on minerals that are thought to have been transferred into coal ash. Compound indications of ashes from 29 kinds of the world`s typical coals were replaced ...

1996-10-28

405

Rationale for chemical control of feedwater and boiler water. Volume 1. Concentration models. Final report  

Science.gov (United States)

Operating PWR units in the USA have experienced very severe corrosion of the tube support plate at the crevice between the tube and the support. This results in distortion of the plate and crushing of the tube (denting). The first task of this project required that currently available computational methods to estimate the pH attained by concentrating boiler water under various fault conditions such as condenser leakage of river waters and faulty operation of condensate polishing plant. Particular attention has been paid to systems in which sulfate predominates. In the second task, the mechanisms are discussed by which solutions become concentrated in porous deposits on a boiling heat transfer surface. It is concluded that more experimental data are needed to test the validity of existing models. High solution concentrations in the deposit may occur at a heat flux close to the critical value for drying out the base of the deposit. The pore to bulk concentration ratio is ...

1984-01-01

406

Radio Frequency Plasma Applications for Space Propulsion  

Energy Technology Data Exchange (ETDEWEB)

Recent developments in solid-state radio frequency (RF) power technologies allow for the practical consideration of RF heated plasmas for space propulsion. These technologies permit the use of any electrical power source, de-couple the power and propellant sources, and allow for the effcient use of both the propellant mass and power. Effcient use of the propellant is obtained by expelling the rocket exhaust at the highest possible velocity, which can be orders of magnitude higher than those achieved in chemical rockets. Handling the hot plasma exhaust requires the use of magnetic nozzles, and the basic physics of ion detachment from the magnetic eld is discussed. The plasma can be generated by RF using helicon waves to heat electrons. Further direct heating of the ions helps to reduce the line radiation losses, and the magnetic geometry is tailored to allow ion cyclotron resonance heating. RF eld and ion trajectory calculations are presented to ...

1999-09-13

407

Propagation of an alkaline wave with a short contact time through an argilite sample from the Meuse-Haute Marne underground laboratory; Propagation d'une onde alcaline a temps de contact court a travers un echantillon d'argilite de l'est  

Energy Technology Data Exchange (ETDEWEB)

In the framework of the feasibility study of radioactive waste disposal in deep geologic formations, a clay formation (named 'argilite de l'Est') has been selected in the Meuse-Haute Marne region (France) for the construction of an underground laboratory. The percolation of alkaline solutions through the argilite has been studied using column experiments with short residence times (30 min). These experiments simulate the leaching of a cement which could be used in the building materials of the laboratory. The alkaline solutions used are mono-cationic solutions of calcium, sodium and strontium. The behaviour of calcium is differentiated from the other cations. For all alkaline solutions (NaOH, Ca(OH){sub 2} or Sr(OH){sub 2}) chemical reactions consuming both hydroxide ions and their associated cations have been evidenced. These reactions are heterogenous reactions of surface adsorption by site ionization. The calcium has a different ...

2001-07-01

408

Prediction of Skin Sensitization with a Particle Swarm Optimized Support Vector Machine  

Science.gov (United States)

Skin sensitization is the most commonly reported occupational illness, causing much suffering to a wide range of people. Identification and labeling of environmental allergens is urgently required to protect people from skin sensitization. The guinea pig maximization test (GPMT) and murine local lymph node assay (LLNA) are the two most important in vivo models for identification of skin sensitizers. In order to reduce the number of animal tests, quantitative structure-activity relationships (QSARs) are strongly encouraged in the assessment of skin sensitization of chemicals. This paper has investigated the skin sensitization potential of 162 compounds with LLNA results and 92 compounds with GPMT results using a support vector machine. A particle swarm optimization algorithm was implemented for feature selection from a large number of molecular descriptors calculated by Dragon. For the LLNA data set, the classification accuracies are 95.37% and ...

2009-07-17

409

On the theory of mechano-catalytic water-splitting system  

Energy Technology Data Exchange (ETDEWEB)

A theory has been developed for the mechano-catalytic water-splitting, which is the system of simultaneous H{sub 2} and O{sub 2} evolution by stirring the powder of an oxide semiconductor in pure water under the condition that the stirring rod must be kept in contact with the surface of the glass vessel. The kinetic equations and the coupling strength of the frictional energy conversion between mechanical and electrical systems are calculated . The total system composed of the formation of the dangling bonds on the glass surface, the trapping of the semiconductor particles at the microcrevice of the glass surface, the strong field inside the fine particles due to the frictional electricity, the mechanism of charge transfer from the semiconductor to the stirring rod, the hopping conduction of positive hole, the electric current density injected into water from the semiconductors, and the tunnel chemical reaction for splitting-water have been ...

2000-10-01

410

Magnetic properties of the Mn{sub 1-x}Fe{sub x}In{sub 2}S{sub 4} spinel compounds  

Energy Technology Data Exchange (ETDEWEB)

Mn{sub 1-x}Fe{sub x}In{sub 2}S{sub 4} spinel compounds (x=0.3, 0.8) were grown by the chemical vapor transport method. The analysis of the X-ray diffraction data suggest that both the compounds crystallize in a cubic structure under the space group Fd3m. The magnetic study done between 300 and 2 K showed a paramagnetic behavior for the intermediate concentration sample x=0.3. A good fitting to the Curie-Weiss law allows us to calculate the paramagnetic Curie temperature. They are negative indicating predominant antiferromagnetic interactions. However, in sample with high Fe concentration, x=0.8, it was possible to observe a peak at around T{sub sg} congruent with 10 K. From ac magnetic susceptibility data at different driving frequencies f, it is found that the peak at T{sub sg} shifts to lower temperatures with decreasing frequency suggesting an spin-glass behavior.

2004-04-28

411

Enhanced photoconductivity and fine response tuning in nanostructured porous silicon microcavities  

Energy Technology Data Exchange (ETDEWEB)

We used light confinement in optical microcavities to achieve a strong enhancement and a precise wavelength tunability of the electrical photoconductance of nanostructured porous silicon (PS). The devices consist of a periodic array of alternating PS layers, electrochemically etched to have high and low porosities - and therefore distinct dielectric functions. A central layer having a doubled thickness breaks up the symmetry of the one-dimensional photonic structure, producing a resonance in the photonic band gap that is clearly observed in the reflectance spectrum. The devices were transferred to a glass coated with a transparent SnO{sub 2} electrode, while an Al contact was evaporated on its back side. The electrical conductance was measured as a function of the photon energy. A strong enhancement of the conductance is obtained in a narrow (17nm FWHM) band peaking at the resonance. We present experimental results of the angular dependence of this photoconductance peak energy, and ...

2009-05-01

412

Effects of clove (Caryophyllus aromaticus L.) on the labeling of blood constituents with technetium-99m and on the morphology of red blood cells  

Energy Technology Data Exchange (ETDEWEB)

Clove (Caryophyllus aromaticus L.) has been used for clinical procedures. Blood constituents labeled with technetium-99m (99mTc) are used in nuclear medicine. The aim of this work was to evaluate the effects of clove extract on the labeling blood constituents with 99mTc and on the morphology of red blood cells. Blood samples were incubated with clove, stannous chloride and 99mTc. Plasma, blood cells, insoluble fractions of plasma and blood cells were separated. The radioactivity was counted and percentage of radioactivity (%ATI) to each blood fraction was calculated. The shape and morphometric parameter (perimeter/area ratio) were evaluated. Clove extract altered significantly (p<0.05) the %ATI of blood constituents and the shape of red blood cells without modifying the perimeter/area ratio. The results indicate that clove extract presents chemical compounds that interfere with the radiolabeling of blood constituents and alter the ...

2007-09-15

413

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

414

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

415

Drying characteristics and nitrogen loss of biogas digestate during drying process  

Energy Technology Data Exchange (ETDEWEB)

The cost of transporting biogas digestate can be decreased by reducing its water content. However, the digestate emits volatile compounds during drying. This study investigated the drying behaviour and the change of digestate composition. Drying took place in a hybrid solar/waste-heat dryer that used solar energy as well as waste heat from a combined heat and power unit (CHP) and the exhaust air of a microturbine. The experiment involved the use of 60 t of liquid digestate. Climatic conditions were measured inside and outside the drying hall. Dry matter (DM) and organic dry matter (ODM) were also measured on a daily basis. In addition, the energy consumption of waste and solar heat were recorded and related to the quantity of dried feedstock. The total nitrogen, ammonium, phosphate, potassium oxide, magnesium oxide and calcium oxide in the digestate were subjected to chemical analysis before and after the drying process. Losses of nitrogen were ...

2010-07-01

416

Composition determination of sputter-deposited HgS films by electron microprobe analysis  

Energy Technology Data Exchange (ETDEWEB)

The composition of sputter-deposited HgS films was determined by electron microprobe analysis. From the relative x-ray intensity as a function of film thickness, the depth of the ionizations that produce SK sub(..cap alpha..) and HgM sub(..cap alpha..) was found to be approximately 0.65 ..mu..m at an accelerating voltage of 15 kV. This value agreed well with a value calculated from Castaings' empirical law after absorption correction. The determination of film composition was limited to sufficiently thicker films than this critical value, usually 1 - 2 ..mu..m thick. The relation between the conposition of bulk standard determined by chemical analysis and the x-ray intensity ratio was used for the correction of film composition. The results showed that the crystal structure of HgS films was independent of the composition, i.e., the growth of metastable ..beta..-HgS films was not caused by the nonstoichiometry, and that the composition ...

1982-01-01

417

Composition determination of sputter-deposited HgS films by electron microprobe analysis  

International Nuclear Information System (INIS)

The composition of sputter-deposited HgS films was determined by electron microprobe analysis. From the relative x-ray intensity as a function of film thickness, the depth of the ionizations that produce SK sub(#alpha#) and HgM sub(#alpha#) was found to be approximately 0.65 #mu#m at an accelerating voltage of 15 kV. This value agreed well with a value calculated from Castaings' empirical law after absorption correction. The determination of film composition was limited to sufficiently thicker films than this critical value, usually 1 - 2 #mu#m thick. The relation between the conposition of bulk standard determined by chemical analysis and the x-ray intensity ratio was used for the correction of film composition. The results showed that the crystal structure of HgS films was independent of the composition, i.e., the growth of metastable #betta#-HgS films was not caused by the nonstoichiometry, and that the composition of #alpha#-HgS films was ...

1982-01-01

418

Antiferromagnetic exchange in a bis(imido) uranium (V) dimeric complex  

Energy Technology Data Exchange (ETDEWEB)

Magnetic coupling between two or more metal centers is an important facet of d- and f-block transition metal chemistry due to its implications in chemical bonding. With respect to actinide metals, magnetic coupling between polymetallic actinide centers is less well-known. Of the few documented examples, only one bimetallic uranium(V) complex, [(MeC{sub 5}H{sub 4}){sub 2}U]{sub 2}[{mu}-1,4-N{sub 2}C{sub 6}H{sub 4}] (1), has unequivocally demonstrated antiferromagnetic coupling. This complex employs a {pi}-conjugated 1,4-phenylenedimide ligand system which bridges the two f{sup 1}-metal centers and enables antiferromagentic coupling between unpaired f-e1ectrons residing in a {pi}-symmetry orbital. In this communication, we report the synthesis of a dimeric bis(imido) uranium(V) iodide complex and demonstrate with magnetic susceptibility measurements and density functional theory (DFT) calculations that the f{sup 1}-uranium centers display ...

2008-01-01

419

Anisotropic magnetism in hybridizing uranium systems  

International Nuclear Information System (INIS)

The isostructural uranium monopnictides and monochalcogenides have become prototype systems in actinide research with respect to their unusual magnetic properties. We have investigated the origins in the electronic structure of the variation in magnetic behavior as the degree of 5f-electron localization changes from localized to itinerant on going up the pnictogen or chalcogen column, thus decreasing the U-U separation. We have applied a synthesis of: (1) A phenomenological theory of orbitally driven magnetic ordering which includes both the hybridization-induced and the RKKY exchange interactions on an equal footing, and (2) Ab initio electronic structure calculations, based on the linear-muffin-tin-orbital method, allowing a first-principles evaluation of the parameters entering the model Hamiltonian. We have investigated systematically characteristic trends and changes of the 5f-state resonance width, the hybridization potential, and the hybridization-induced ...

420

Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework I: Total energy calculation  

CERN Document Server

Kohn-Sham density functional theory is one of the most widely used electronic structure theories. Uniform discretization of the Kohn-Sham Hamiltonian generally results in a large number of basis functions per atom in order to resolve the rapid oscillations of the Kohn-Sham orbitals around the nuclei. Previous attempts to reduce the number of basis functions per atom include the usage of atomic orbitals and similar objects, but the atomic orbitals generally require fine tuning in order to reach the chemical accuracy. We present a novel discretization scheme that adaptively and systematically builds the rapid oscillations of the Kohn-Sham orbitals around the nuclei as well as environmental effects into the basis functions. The resulting basis functions are localized in the real space, and are discontinuous in the global domain. The continuous Kohn-Sham orbitals and the electron density are evaluated from the discontinuous basis functions using the discontinuous ...

2011-01-01

421

A study on the photocatalytic decomposition reactions of organics dissolved in water (II)  

Energy Technology Data Exchange (ETDEWEB)

Experiments on aqueous TiO{sup 2} photocatalytic reaction characteristics of 4 nitrogen-containing and 12 aromatic organic compounds were carried out. Based on the values calculated for the distribution of ionic species and atomic charge, the characteristics of their photocatalytic decomposition were estimated. It was shown that the dependence of decomposition of the N-containing compounds were linearly proportional to their nitrogen atomic charge values, while that of the aromatic compounds were inversely proportional. The effects of aqueous pH, oxygen content and concentration on the TiO{sup 2} photocatalytic characteristics of EDTA-Cu(II) and EDTA-Fe(III) were experimentally investigated. All EDTA systems were decomposed better in the pH range of 2.5{approx}3.0 and with more dissolved oxygen. These results could be applied to a unit process for removal of organic impurities dissolved in a source water of the system water, and for treatment of EDTA-containing ...

2001-01-01

422

A joint computational and experimental study of a novel dioxomolybdenum(VI) complex bearing chiral N,N-dimethyllactamide ligand  

British Library Electronic Table of Contents (United Kingdom)

A new cis-dioxomolybdenum complex MoO2(DMLA)2 (DMLA=N,N-dimethyllactamide) has been synthesized and characterized by X-ray crystallography, H NMR and IR spectroscopies and electronic structure calculations at DFT/B3LYP level. This compound (chemical formula C10H20MoO6N2) crystallizes in the orthorhombic space group P212121 with Z=4, a=6.9357(2)?, b=11.8761(4)?, c=17.7251(5), V=1460.00(8)?3 and renders a slightly distorted octahedral structure with two long Mo-O bonds (2.253(3)? and 2.257(3)?) trans to each of the MoO groups and with two short Mo-O bonds of 1.942(3)4? cis to them. The MoO bond length are 1.715(3) and 1.704(3)?). Each lactamide ligand is bidentate; they are coordinated in their deprotonated form with the carbonyl oxygen occupy...

2011-01-01

423

Towards a quantum theory of chiral magnetic effect  

CERN Document Server

We discuss three possible ways to address quantum physics behind chiral magnetic effect and electric charge fluctuation patterns in heavy ion collisions. The first one makes use of P-parity violation probed by local order parameters, the second considers CME in quantum measurement theory framework and the third way is to study P-odd * P-odd contributions to P-even observables. In the latter approach relevant form-factor is extracted and computed for weak magnetic field in confinement region and for free quarks in strong field regime. It is shown that the effect is negligible in the former case. We also discuss saturation effect - charge fluctuation asymmetry for free fermions reaches constant value at asymptotically large fields.

2010-01-01

424

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 the standard case, in which the moments ...

2010-01-01

425

The MacMahon Master Theorem for right quantum superalgebras and higher Sugawara operators for \\hat gl(m|n)  

CERN Document Server

We prove an analogue of the MacMahon Master Theorem for the right quantum superalgebras. In particular, we obtain a new and simple proof of this theorem for the right quantum algebras. In the super case the theorem is then used to construct higher order Sugawara operators for the affine Lie superalgebra \\hat gl(m|n) in an explicit form. The operators are elements of a completed universal enveloping algebra of \\hat gl(m|n) at the critical level. They occur as the coefficients in the expansion of a noncommutative Berezinian and as the traces of powers of generator matrices. The same construction yields higher Hamiltonians for the Gaudin model associated with the Lie superalgebra gl(m|n).

2009-01-01

426

Solution state hybridization detection using time-resolved fluorescence anisotropy of quantum dot-DNA bioconjugates  

British Library Electronic Table of Contents (United Kingdom)

In this Letter, we demonstrate the application of time-resolved fluorescence anisotropy measurements to detect solution state hybridization of streptavidin conjugate (CdSe)ZnS quantum dots (QD). The study was performed on samples containing 10nM QD incubated with 800nM DNA. We show that the rotational correlation time of QD-DNA constructs increases significantly upon hybridization with values of 330ns (QD-ssDNA) and 1.3ms (QD-dsDNA), corresponding to a diameter of 14nm and 23nm respectively. The present study opens a new modality for hybridization detection using quantum dots.

2010-01-01

427

Resource Letter: Quantum Chromodynamics  

CERN Document Server

This Resource Letter provides a guide to the literature on Quantum Chromodynamics (QCD), the relativistic quantum field theory of the strong interactions. Journal articles, books, and other documents are cited for the following topics: quarks and color, the parton model, Yang-Mills theory, experimental evidence for color, QCD as a color gauge theory, asymptotic freedom, QCD for heavy hadrons, QCD on the lattice, the QCD vacuum, pictures of quark confinement, early and modern applications of perturbative QCD, the determination of the strong coupling and quark masses, QCD and the hadron spectrum, hadron decays, the quark-gluon plasma, the strong nuclear interaction, and QCD's role in nuclear physics. The letter {E} after an item indicates elementary level or material of general interest to persons becoming informed in the field. The letter {I}, for intermediate level, indicates material of a somewhat more specialized nature, and the letter {A} ...

2010-01-01

428

Quantum Particle Swarm Optimization for Electromagnetics  

CERN Document Server

A new particle swarm optimization (PSO) technique for electromagnetic applications is proposed. The method is based on quantum mechanics rather than the Newtonian rules assumed in all previous versions of PSO, which we refer to as classical PSO. A general procedure is suggested to derive many different versions of the quantum PSO algorithm (QPSO). The QPSO is applied first to linear array antenna synthesis, which is one of the standard problems used by antenna engineers. The performance of the QPSO is compared against an improved version of the classical PSO. The new algorithm outperforms the classical one most of the time in convergence speed and achieves better levels for the cost function. As another application, the algorithm is used to find a set of infinitesimal dipoles that produces the same near and far fields of a circular dielectric resonator antenna (DRA). In addition, the QPSO method is employed to find an equivalent circuit model ...

2006-01-01

429

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 presented.

2007-07-01

430

Origin of complex quantum amplitudes and Feynman's rules  

International Nuclear Information System (INIS)

Complex numbers are an intrinsic part of the mathematical formalism of quantum theory and are perhaps its most characteristic feature. In this article, we show that the complex nature of the quantum formalism can be derived directly from the assumption that a pair of real numbers is associated with each sequence of measurement outcomes, with the probability of this sequence being a real-valued function of this number pair. By making use of elementary symmetry conditions, and without assuming that these real number pairs have any other algebraic structure, we show that these pairs must be manipulated according to the rules of complex arithmetic. We demonstrate that these complex numbers combine according to Feynman's sum and product rules, with the modulus-squared yielding the probability of a sequence of outcomes.

2010-02-01

431

On 15-component theory of a charged spin-1 particle with polarizability in Coulomb and Dirac monopole fields  

CERN Document Server

The problem of a spin 1 charged particle with electromagnetic polarizability, obeying a generalized 15-component quantum mechanical equation, is investigated in presence of the external Coulomb potential. With the use of the Wigner's functions techniques, separation of variables in the spherical tetrad basis is done and the 15-component radial system is given. It is shown that there exists a class of quantum states for which the additional characteristics, polarizability, does not manifest itself anyhow; at this the energy spectrum of the system coincides with the known spectrum of the scalar particle. For j=0 states, a 2-order differential equation is derived, it contains an additional potential term 1/r^{4}. In analogous approach wave functions the generalized particle are examined in presence of external Dirac monopole field. It is shown that there exists one special state with minimal conserved quantum number j_{min}. ...

2006-01-01

432

Many-particle confinement by constructed disorder and quantum computing  

Energy Technology Data Exchange (ETDEWEB)

Many-particle confinement (localization) is studied for a 1D system of spinless fermions with nearest-neighbour hopping and interaction, or equivalently, for an anisotropic Heisenberg spin-1/2 chain. This system is frequently used to model quantum computers with perpetually coupled qubits. We construct a bounded sequence of site energies that leads to strong single-particle confinement of all states on individual sites. We show that this sequence also leads to a confinement of all many-particle states in an infinite system for a time that scales as a high power of the reciprocal hopping integral. The confinement is achieved for strong interaction between the particles while keeping the overall bandwidth of site energies comparatively small. The results show the viability of quantum computing with time-independent qubit coupling.

2005-10-01

433

Isomorphisms of quantizations via quantization of resolutions  

CERN Document Server

In this paper we prove the existence of isomorphisms between certain non-commutative algebras that are interesting from representation theoretic perspective and arise as quantizations of certain Poisson algebras. We show that quantizations of Kleinian resolutions obtained by three different constructions are isomorphic to each other. The constructions are via symplectic reflection algebras, quantum Hamiltonian reduction, and W-algebras. Next, we prove that parabolic W-algebras in type A are isomorphic to quantum Hamiltonian reductions associated to quivers of type A. Finally, we show that the symplectic reflection algebras for wreath-products of the symmetric group and a Kleinian group are isomorphic to certain quantum Hamiltonian reductions. Our results involving W-algebras are new, while for those dealing with symplectic reflection algebras we just give new proofs. A key ingredient in our proofs is the study of ...

2010-01-01

434

High-visibilty two-photon interference at a telecom wavelength using picosecond regime separated sources  

CERN Document Server

We report on a two-photon interference experiment in a quantum relay configuration using two picosecond regime PPLN waveguide based sources emitting paired photons at 1550 nm. The results show that the picosecond regime associated with a guided-wave scheme should have important repercussions for quantum relay implementations in real conditions, essential for improving both the working distance and the efficiency of quantum cryptography and networking systems. In contrast to already reported regimes, namely femtosecond and CW, it allows achieving a 99% net visibility two-photon interference while maintaining a high effective photon pair rate using only standard telecom components and detectors.

2009-01-01

435

High-fidelity entanglement swapping with fully independent sources  

CERN Document Server

Entanglement swapping allows to establish entanglement between independent particles that never have interacted nor share a common past. This feature makes it an integral constituent of quantum repeaters and a promising tool for future tests of the foundations of quantum physics. Here, we demonstrate entanglement swapping with time-synchronized independent sources with a fidelity high enough to violate a Clauser-Horne-Shimony-Holt (CHSH) inequality by more than four standard deviations. The fact that both entangled photon pairs are created by fully independent laser sources, which are only electronically connected, ensures that this technique is suitable for future long-distance entanglement swapping and quantum-repeater experiments.

2008-01-01

436

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 description of neutrino ...

2010-01-01

437

Experimental demonstration of three-color entanglement  

CERN Document Server

Entanglement is the essential quantum resource for a potential speed-up of information processing, as well as for sophisticated quantum communication. Quantum information networks will be required to convey information from one place to another, by using entangled light beams. Many physical systems are under consideration as building blocks, with different merits and faults, so that hybrid systems are likely to be developed. Here we present an important tool for connecting systems that share no common resonance frequencies: we demonstrate the first direct generation of entanglement among more than two bright beams of light, all of different wavelengths (532.251 nm, 1062.102 nm, and 1066.915 nm). We also observe, for the first time, disentanglement for finite channel losses, the continuous variable counterpart to entanglement sudden death.

2010-01-01

438

Effects of quantum vacuum fluctuations of the electric field on DNA condensation  

British Library Electronic Table of Contents (United Kingdom)

By assuming that not only counter-ions but DNA molecules as well are thermally distributed according to a Boltzmann law, we propose a modified Poisson-Boltzmann equation, at the classical level, as a starting point to compute the effects of quantum fluctuations of the electric field on the interaction among DNA-cation complexes. The latter are modeled here as infinite one-dimensional wires (?-functions). Our goal is to single out such quantum-vacuum-driven interaction from the counterion-induced and water-related interactions. We obtain a universal, frustration-free Casimir-like (codimension 2) interaction that extensive numerical analysis show to be a good candidate to explain the formation and stability of DNA aggregates. Such Casimir energy is computed for a variety of configurations of...

2011-01-01

439

Covariance of quantum general relativity from Ashtekar variables  

CERN Document Server

In this paper we examine the relationship between covariance and unitarity for quantum gravity in Ashtekar variables. A usual description would discard half of the original Lorentz group, in exchange for the resulting simplifications of general relativity. We start by quantizing a trivial SL(2,C) gauge theory resulting in a nonunitary covariant theory. By the addition of a total time derivative we transform this into a unitary theory of the Ashtekar description of gravity with complete accountability of the degrees of freedom. We find that covariance on the spacetime level bears a direct relationship to covariance on the level ofthe quantum fields themselves. This procedure can in principle be applied to any totally constrained system, and bears a resemblance to the Gupta--Bleuler method. Finally, we make some observation regarding the loop representation of the SL(2,C) connection.

2008-01-01

440

An amusing analogy: modelling quantum-type behaviours with wormhole-based time travel  

Energy Technology Data Exchange (ETDEWEB)

When backward time travel through wormholes is taken into account, classical physics loses its determinism and allows simulation of some quantum behaviours. We show how it is possible to simulate a non-local wavefunction reduction-type effect, i.e. we present a mechanical analogy for the collapse of the wavefunction of an entangled state of two removed particles. This situation can be seen as the simplest EPR situation, i.e. the situation where there is just one direction to measure along the spin (or the correlated properties). We present no rigorous results here, just a different point of view about something that is generally thought to be impossible: modelling a quantum indeterministic and non-local behaviour with a mechanical system.

2002-08-01

441

A superconductor to superfluid phase transition in liquid metallic hydrogen  

CERN Document Server

Although hydrogen is the simplest of atoms, it does not form the simplest of solids or liquids. Quantum effects in these phases are considerable (a consequence of the light proton mass) and they have a demonstrable and often puzzling influence on many physical properties, including spatial order. To date, the structure of dense hydrogen remains experimentally elusive. Recent studies of the melting curve of hydrogen indicate that at high (but experimentally accessible) pressures, compressed hydrogen will adopt a liquid state, even at low temperatures. In reaching this phase, hydrogen is also projected to pass through an insulator-to-metal transition. This raises the possibility of new state of matter: a near ground-state liquid metal, and its ordered states in the quantum domain. Ordered quantum fluids are traditionally categorized as superconductors or superfluids; these respective systems feature dissipationless electrical ...

2004-01-01

442

The composition-explicit distillation curve technique: Relating chemical analysis and physical properties of complex fluids.  

Science.gov (United States)

The analysis of complex fluids such as crude oils, fuels, vegetable oils and mixed waste streams poses significant challenges arising primarily from the multiplicity of components, the different properties of the components (polarity, polarizability, etc.) and matrix properties. We have recently introduced an analytical strategy that simplifies many of these analyses, and provides the added potential of linking compositional information with physical property information. This aspect can be used to facilitate equation of state development for the complex fluids. In addition to chemical characterization, the approach provides the ability to calculate thermodynamic properties for such complex heterogeneous streams. The technique is based on the advanced distillation curve (ADC) metrology, which separates a complex fluid by distillation into fractions that are sampled, and for which thermodynamically consistent temperatures are measured at ...

2009-11-17

443

Origin of salinity in produced waters from the Palm Valley gas field, Northern Territory, Australia  

Energy Technology Data Exchange (ETDEWEB)

The chemical composition and evolution of produced waters associated with gas production in the Palm Valley gas field, Northern Territory, has important implications for issues such as gas reserve calculations, reservoir management and saline water disposal. The occurrence of saline formation water in the Palm Valley field has been the subject of considerable debate. There were no occurrences of mobile water early in the development of the field and only after gas production had reduced the reservoir pressure, was saline formation water produced. Initially this was in small quantities but has increased dramatically with time, particularly after the initiation of compression in November 1996. The produced waters range from highly saline (up to 300,000 mg/L TDS), with unusual enrichments in Ca, Ba and Sr, to low salinity fluids that may represent condensate waters. The Sr isotopic compositions of the waters ({sup 87}Sr/{sup 86}Sr = 0.7041-0.7172) ...

2005-04-01

444

Origin of salinity in produced waters from the Palm Valley gas field, Northern Territory, Australia  

International Nuclear Information System (INIS)

The chemical composition and evolution of produced waters associated with gas production in the Palm Valley gas field, Northern Territory, has important implications for issues such as gas reserve calculations, reservoir management and saline water disposal. The occurrence of saline formation water in the Palm Valley field has been the subject of considerable debate. There were no occurrences of mobile water early in the development of the field and only after gas production had reduced the reservoir pressure, was saline formation water produced. Initially this was in small quantities but has increased dramatically with time, particularly after the initiation of compression in November 1996. The produced waters range from highly saline (up to 300,000 mg/L TDS), with unusual enrichments in Ca, Ba and Sr, to low salinity fluids that may represent condensate waters. The Sr isotopic compositions of the waters ("8"7Sr/"8"6Sr = 0.7041-0.7172) are ...

2005-04-01

445

Evaluation of Aution Max AX-4030 and 9UB Uriflet, 10PA Aution Sticks urine dipsticks in the automated urine test strip analysis.  

Science.gov (United States)

Abstract Background: Aution Max AX-4030, a test strip analyzer recently introduced to the market, represents an upgrade of the Aution Max AX-4280 widely employed for urinalysis. This new instrument model can allocate two different test strips at the same time. In the present study the two instruments have been compared together with the usage of Uriflet 9UB and the recently produced Aution Sticks 10PA urine strips, the latter presenting an additional test area for the measurement of urinary creatinine. Methods: Imprecision and correlation between instruments and strips have been evaluated for chemical-physical parameters. Accuracy was evaluated for protein, glucose and creatinine by comparing the semi-quantitative results to those obtained by quantitative methods. The well-known interference effect of high ascorbic acid levels on urine glucose test strip determination was evaluated, ascorbic acid influence was also evaluated on protein and creatinine ...

2011-09-26

446

Detailed Chemical Kinetic Reaction Mechanisms for Autoignition of Isomers of Heptane Under Rapid Compression  

Energy Technology Data Exchange (ETDEWEB)

Detailed chemical kinetic reaction mechanisms are developed for combustion of all nine isomers of heptane (C{sub 7}H{sub 16}), and these mechanisms are tested by simulating autoignition of each isomer under rapid compression machine conditions. The reaction mechanisms focus on the manner in which the molecular structure of each isomer determines the rates and product distributions of possible classes of reactions. The reaction pathways emphasize the importance of alkylperoxy radical isomerizations and addition reactions of molecular oxygen to alkyl and hydroperoxyalkyl radicals. A new reaction group has been added to past models, in which hydroperoxyalkyl radicals that originated with abstraction of an H atom from a tertiary site in the parent heptane molecule are assigned new reaction sequences involving additional internal H atom abstractions not previously allowed. This process accelerates autoignition in fuels with tertiary C-H bonds in the parent fuel. In ...

2001-12-17

447

Chemical-looping combustion of coal-derived synthesis gas over copper oxide oxygen carriers  

Energy Technology Data Exchange (ETDEWEB)

CuO/bentonite and CuO-BHA nanocomposites were studied as oxygen carriers in chemical-looping combustion (CLC) of simulated synthesis gas. Global reaction rates of reduction and oxidation, as the function of reaction conversion, were calculated from 10-cycle oxidation/reduction tests utilizing thermogravimetric analysis at atmospheric pressure between 700 and 900{degree}C. It was found that the reduction reactions are always faster than oxidation reactions; reaction temperature and particle size do not significantly affect the reaction performance of CuO/bentonite. Multicycle CLC tests conducted in a high-pressure flow reactor showed stable reactivity for production of CO{sub 2} from fuel gas at 800 and 900{degree}C and full consumption of hydrogen during the reaction. Results of the tapered element oscillating microbalance showed a negative effect of pressure on the global rates of reduction-oxidation reactions at higher fractional conversions. ...

2008-11-15

448

Coupled effects of the precipitation of secondary species on the mechanical behaviour and chemical degradation of concretes; Les effets couples de la precipitation d'especes secondaires sur le comportement mecanique et la degradation chimique des betons  

Energy Technology Data Exchange (ETDEWEB)

Sulfate attack of cement-based materials remains an important problem for the durability assessment of containers and disposal engineering barriers dedicated to the long-term storage of radioactive wastes since underground water which may reach these elements contains small quantities of sulfates (7-31 mmol/1). This work contributes to the study of sulfate-induced damage mechanisms, to their understanding and modelling. The experimental phases of this study aimed at the understanding of the different physico-chemical phenomena involved during an external sulfate attack at following their evolution and their impact on the transport and mechanical properties of the material. Leaching experiments in pure water and in a solution of sodium sulfate (with a sulfate content of 15 mmol/1), have been performed simultaneously on OPC paste (w/c 0,4)in order to allow a comparison of test results. The frequent analysis of the leachant has shown a consumption of sulfate ions by ...

2002-06-01

449

Towards Quantum Superposition of Living Organisms  

CERN Document Server

The most striking feature of quantum mechanics is the existence of superposition states, where an object appears to be in different situations at the same time. Up to now, the existence of such states has been tested with small objects, like atoms, ions, electrons and photons, and even with molecules. Recently, it has been even possible to create superpositions of collections of photons, atoms, or Cooper pairs. Current progress in optomechanical systems may soon allow us to create superpositions of even larger objects, like micro-sized mirrors or cantilevers, and thus to test quantum mechanical phenomena at larger scales. Here we propose a method to cool down and create quantum superpositions of the motion of sub-wavelength, arbitrarily shaped dielectric objects trapped inside a high--finesse cavity at a very low pressure. Our method is ideally suited for the smallest living organisms, such as viruses, which survive under ...

2009-01-01

450

The superspin approach to a disordered quantum wire in the chiral-unitary symmetry class with an arbitrary number of channels  

CERN Document Server

We use a superspin Hamiltonian defined on an infinite-dimensional Fock space with positive definite scalar product to study localization and delocalization of noninteracting spinless quasiparticles in quasi-one-dimensional quantum wires perturbed by weak quenched disorder. Past works using this approach have considered a single chain. Here, we extend the formalism to treat a quasi-one-dimensional system: a quantum wire with an arbitrary number of channels coupled by random hopping amplitudes. The computations are carried out explicitly for the case of a chiral quasi-one-dimensional wire with broken time-reversal symmetry (chiral-unitary symmetry class). By treating the space direction along the chains as imaginary time, the effects of the disorder are encoded in the time evolution induced by a single site superspin (non-Hermitian) Hamiltonian. We obtain the density of states near the band center of an infinitely long ...

2009-01-01

451

The current algebra on the circle as a germ of local field theories  

International Nuclear Information System (INIS)

Methods of algebraic quantum field theory are used to classify all field- and observable algebras, whose common germ is the U(1)-current algebra. An elementary way is described to compute characters of such algebras. It exploits the Kubo-Martin-Schwinger condition for Gibbs states. (orig.).

1988-03-01

452

The clouds of physics and Einstein's last query: Can quantum mechanics be derived from general relativity?  

CERN Document Server

Towards the end of the 19th century, Kelvin pronounced as the "clouds of physics" 1) the failure of the Michelson-Morely experiment to detect an ether wind, 2) the violation of the classical mechanical equipartition theorem in statistical thermodynamics. And he believed that the removal of these clouds would bring physics to an end. But as we know, the removal of these clouds led to the two great breakthoughts of modern physics: 1) The theory of relativity, and 2) to quantum mechanics. Towards the end of the 20th century more clouds of physics became apparent. They are 1) the riddle of quantum gravity, 2) the superluminal quantum correlations, 3) the small cosmological constant. Furthermore, there is the riddle of dark energy making up 70% of the physical universe, the non-baryonic cold dark matter making up 26% and the very small initial entropy of the universe. An attempt is made to explain the importance of these clouds ...

2008-01-01

453

Relativistic Feynman-type integrals  

Energy Technology Data Exchange (ETDEWEB)

It is shown that within the framework of the Kershaw stochastic model generalized by the author to the relativistic case a Feynman-type process may be constructed which can formally be understood as a diffusion phenomenon in Euclidean space. This makes it possible to introduce a real probability measure in the scheme of quantum mechanics proposed by Feynman.

1980-05-01

454

Realisations of classical and quantum W_3 symmetry  

International Nuclear Information System (INIS)

We consider realisations of Zamolodchikov's nonlinear W_3 algebra at the classical and quantum level. Recent work has produced gaugings of the classical W_3 algebra starting from a theory of n scalar fields #PHI#"i, given the existence of a set of coefficients d_i_j_k satisfying a certain algebraic identity. We note that a solution exists for each Jordan algebra determined by a cubic norm form, leading to an infinite family of 'generic' models for all n, plus four special cases with n = 5, 8, 14 and 26. Taking free-field ansaetze for the spin-two and spin-three currents, we then formulate the conditions for the quantum W_3 algebra to be satisfied. We show how the generic classical models may be extended to the quantum case for every n, reducing to the construction of Fateev and Zamolodchikov for n = 2. These models are seen to be examples of a completely general construction, which produces a realisation of W_3 from an ...

1991-04-01

455

Quantum thermodynamics. Emergence of thermodynamic behavior within composite quantum systems. 2. ed.  

International Nuclear Information System (INIS)

This introductory text treats thermodynamics as an incomplete description of quantum systems with many degrees of freedom. Its main goal is to show that the approach to equilibrium -with equilibrium characterized by maximum ignorance about the open system of interest- neither requires that many particles nor is the precise way of partitioning, relevant for the salient features of equilibrium and equilibration. Furthermore, the text depicts that it is indeed quantum effects that are at work in bringing about thermodynamic behavior of modest-sized open systems, thus making Von Neumann's concept of entropy appear much more widely useful than sometimes feared, far beyond truly macroscopic systems in equilibrium. This significantly revised and expanded second edition pays more attention to the growing number of applications, especially non-equilibrium phenomena and thermodynamic processes of the nano-domain. In addition, to improve readability and ...

456

Quantum query complexity of minor-closed graph properties  

CERN Document Server

We study the quantum query complexity of minor-closed graph properties, which include such problems as determining whether a graph is planar, is a forest, or does not contain a path of a given length. We show that most minor-closed properties---those that cannot be characterized by a finite set of forbidden subgraphs---have quantum query complexity \\Theta(n^{3/2}). To establish this, we prove an adversary lower bound using a detailed analysis of the structure of minor-closed properties with respect to forbidden topological minors and forbidden subgraphs. On the other hand, we show that minor-closed properties (and more generally, sparse graph properties) that can be characterized by finitely many forbidden subgraphs can be solved strictly faster, in o(n^{3/2}) queries. Our algorithms are a novel application of the quantum walk search framework and give improved upper bounds for several subgraph-finding problems.

2010-01-01

457

Quantum frustration in organic Mott insulators: from spin liquids to unconventional superconductors  

CERN Document Server

We review the interplay of frustration and strong electronic correlations in quasi-two-dimensional organic charge transfer salts, such as k-(BEDT-TTF)_2X and Et_nMe_{4-n}Pn[Pd(dmit)2]2. These two forces drive a range of exotic phases including spin liquids, valence bond crystals, pseudogapped metals, and unconventional superconductivity. Of particular interest is that in several materials there is a direct transition as a function of pressure from a spin liquid Mott insulating state to a superconducting state. Experiments on these materials raise a number of profound questions about the quantum behaviour of frustrated systems, particularly the intimate connection between spin liquids and superconductivity. Insights into these questions have come from a wide range of theoretical techniques including first principles electronic structure, quantum many-body theory and quantum field theory. In this review we introduce the basic ...

2010-01-01

458

Quantum chaos in the mixmaster universe  

International Nuclear Information System (INIS)

A Monte Carlo simulation of the vacuum Bianchi type-IX (mixmaster) cosmology yields a significant correlation between large universe volume and high anisotropy. An analog of the model's chaotic classical behavior is seen in the break up of the universe wave function at large volume into fingers in the corners of the minisuperspace anisotropy potential.

459

Optical Feshbach Resonances in Alkaline Earth Atoms  

Science.gov (United States)

Recent proposals have shown that a quantum degenerate gas of alkaline earth atoms can be used for a number of novel quantum computing and quantum simulation experiments. Strontium is a good candidate for such experiments because it can be controlled with high precision, as demonstrated in recent atomic clock experiments. Unfortunately, the small scattering length of strontium is not amenable to evaporative cooling techniques that are used to reach quantum degeneracy. Furthermore, increasing the scattering length of alkaline earths with a magnetic Feshbach resonance is not possible due to their spinless electronic ground state configuration. However, recent theoretical and experimental work suggests the possibility of changing scattering lengths in alkaline earths with laser light. Using this optical Feshbach resonance near strontium's narrow ^1S0->^3P1 intercombination transition might allow its ...

2009-10-01

460

Multicomponent Breath Analysis With Infrared Absorption Using Room-Temperature Quantum Cascade Lasers  

UK PubMed Central (United Kingdom)

Breath analysis is a powerful noninvasive technique for the diagnosis and monitoring of respiratory diseases, including asthma and chronic obstructive pulmonary disease (COPD). Nitric oxide...Full Text Available

2009-12-11

461

Lattice W_N algebra and its quantization  

International Nuclear Information System (INIS)

We consider the integrable structure of the quantum lattice W_N algebras. We introduce the ultralocal Lax matrix, and show that the Yang-Baxter relation is satisfied with a Z_N invariant R-matrix. (orig.).

1997-11-01

462

Indium Arsenide (InAs) Quantum ... - Glenn Research Center - NASA  

Science.gov (United States)

Oct 16, 2006 ... Williams, F.; and Nozik, A.J.: Irreversibilities in Mechanism of Photoelectrolysis. Nature, vol. 271, no. 5641, 1978, pp. 137-139. Luque, A.; and ...

463

InP-quantum dots in Al_0_._2_0Ga_0_._8_0InP with different barrier configurations  

International Nuclear Information System (INIS)

Systematic ensemble photoluminescence studies have been performed on type-I InP-quantum dots in Al_0_._2_0Ga_0_._8_0InP barriers, emitting at approximately 1.85 eV at 5 K. The influence of different barrier configurations as well as the incorporation of additional tunnel barriers on the optical properties has been investigated. The confinement energy between the dot barrier and the surrounding barrier layers, which is the sum of the band discontinuities for the valence and the conduction bands, was chosen to be approximately 190 meV by using Al_0_._5_0Ga_0_._5_0InP. In combination with 2 nm thick AlInP tunnel barriers, the internal quantum efficiency of these barrier configurations can be increased by up to a factor of 20 at elevated temperatures with respect to quantum dots without such layers. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

2009-04-01

464

High power (1,4W) AlGaInP graded-index separate confinement heterostructure visible (. lambda. -658 nm)laser  

Science.gov (United States)

A high power AlGaInP single quantum well graded index separate confinement heterostructure. It comprises a substrate and a multiplicity of layers deposited thereon comprising a single Ga{sub x}In{sub x}P quantum well where x has a value from about 0.4 to about 0.6; multiple graded index regions on both sides of the quantum well and cladding layers adjacent to each graded region of the well, the graded region comprising Al{sub y}(Ga{sub 1{minus}y}){sub 0.5}In{sub 0.5}P quaternary alloy; wherein the value of y in the graded region varies from about 0.2 at the quantum well/graded region interface to up to about 0.6 for the cladding layers/graded index regions; the heterostructure having a low broad area threshold current with pulsed thresholds in the range from about 1 to about 2 Amps/cm{sup 2} and a differential efficiency of from about 20 to about 60 percent.

1991-03-26

465

Graduate Quantum Mechanics Reform  

CERN Document Server

We address four main areas in which graduate quantum mechanics education in the U.S. can be improved: course content; textbook; teaching methods; and assessment tools. We report on a three year longitudinal study at the Colorado School of Mines using innovations in all four of these areas. In particular, we have modified the content of the course to reflect progress in the field in the last 50 years, use modern textbooks that include such content, incorporate a variety of teaching techniques based on physics education research, and used a variety of assessment tools to study the effectiveness of these reforms. We present a new assessment tool, the Graduate Quantum Mechanics Conceptual Survey, and further testing of a previously developed assessment tool, the Quantum Mechanics Conceptual Survey (QMCS). We find that graduate students respond well to research-based techniques that have previously been tested mainly in ...

2008-01-01

466

Generalized ladder operators for the Dirac-Coulomb problem via SUSY QM  

Energy Technology Data Exchange (ETDEWEB)

The supersymmetry in quantum mechanics and shape invariance condition are applied as an algebraic method to solving the Dirac-Coulomb problem. The ground state and the excited states are investigated via new generalized ladder operators. (author)

2003-12-15

467

Experimental demonstration of phase-remapping attack in a practical quantum key distribution system  

International Nuclear Information System (INIS)

Quantum key distribution (QKD) can, in principle, provide unconditional security based on the fundamental laws of physics. Unfortunately, a practical QKD system may contain overlooked imperfections and may thus violate some of the assumptions in the security proofs of QKD. It is important to explore these assumptions. One key assumption is that the sender (Alice) can prepare the required quantum states without errors. However, such an assumption may be violated in a practical QKD system. In this paper, we perform a proof-of-principle experiment to demonstrate a technically feasible 'intercept- and-resend' attack that exploits such a security loophole in a commercial 'plug and play' QKD system. The resulting quantum bit error rate is 19.7%, which is substantially lower than the well-known 25% error rate for an intercept-and-resend attack in BB84. The attack we utilize is the phase-remapping attack (Fung et al 2007 Phys. Rev. ...

2010-11-01

468

Energy-momentum tensor of a spinor field in the mixed universe cosmological model  

International Nuclear Information System (INIS)

The energy-momentum tensor of a massless spinor field is constructed and studied based on the previously proposed interpretation of quantum effects of such a field in the anisotropic metric of Bianchi type IX. The characteristic properties of the energy-momentum tensor in the mixed universe model are discussed.

469

Electronic spectra of semiconductor nanocrystals  

Energy Technology Data Exchange (ETDEWEB)

Semiconductor nanocrystals smaller than the bulk exciton show substantial quantum confinement effects. Recent experiments including Stark effect, resonance Raman, valence band photoemission, and near edge X-ray adsorption will be used to put together a picture of the nanocrystal electronic states.

1993-12-31

470

Electromagnetic and hadronic properties of tachyons  

International Nuclear Information System (INIS)

After some preliminary comments on prevailing attitudes about tachyons, the author discusses superluminal transformations and the electromagnetic properties of tachyons. Their role in quantum mechanics is examined and a relativistically invariant hadron bootstrap model, which appears to account for many hadron states, is presented. (W.D.L).

471

Effect of V-shaped defects on structural and optical properties of AlGaN/InGaN multiple quantum wells  

International Nuclear Information System (INIS)

We have investigated the correlation between V-shaped defect formation and the optical properties of AlGaN/(In)GaN multiple quantum wells (MQWs) grown under different growth conditions and then demonstrated the characteristics of fabricated ultraviolet (UV) light emitting diodes (LEDs). From the temperature-dependent photoluminescence (PL) measurement, the internal quantum efficiency for 300 K was obtained as 43.6% for a sample with a low density of V-defects in a MQW and 13.7% for a sample with a high density of V-defects. The carrier lifetime based on the time resolved PL measurement at room temperature was 0.32 ns for a sample with a high density of V-defects and 1.26 ns for a sample with a low density of V-defects. And we also found that the density of V-defects affected the external quantum efficiency and wall plug efficiency of the fabricated UV LEDs. (fast track communication)

2008-07-07

472

Earthbeat - 25/5/2002: Woodsmoke, Health & the Environment  

Wastenet

...wood smoke, emissions, pollution, heaters, environment, Earthbeat - 25/5/2002: Woodsmoke, Health & the Environment Love that Planet All in the Mind The Buzz Health Report In Conversation Ockhams Razor Science Show The Lab Health Matters Catalyst Quantum ...

473

Deterministic secure direct communication using GHZ states and swapping quantum entanglement  

International Nuclear Information System (INIS)

We present a deterministic secure direct communication scheme via entanglement swapping, where a set of ordered maximally entangled three-particle states (GHZ states), initially shared by three spatially separated parties, Alice, Bob and Charlie, functions as a quantum information channel. After ensuring the safety of the quantum channel, Alice and Bob apply a series of local operations on their respective particles according to the tripartite stipulation and the secret message they both want to send to Charlie. By three of Alice, Bob and Charlie's Bell measurement results, Charlie is able to infer the secret messages directly. The secret messages are faithfully transmitted from Alice and Bob to Charlie via initially shared pairs of GHZ states without revealing any information to a potential eavesdropper. Since there is no transmission of the qubits carrying the secret message between any two of them in the public channel, it is completely ...

2005-06-24

474

Current algebra and gauge variance  

Energy Technology Data Exchange (ETDEWEB)

It is urged that the lesson of gauge invariance in quantum electrodynamics implies the irrelevance of `Schwinger term` difficulties in current algebra. The divergence equations of Veltman form the basis of a gauge-variation formalism in which these questions are avoided. (author). 9 refs.

1995-12-31

475

An accurate high-speed single-electron quantum dot pump  

International Nuclear Information System (INIS)

Using standard microfabrication techniques, it is now possible to construct devices that appear to reliably manipulate electrons one at a time. These devices have potential use as building blocks in quantum computing devices, or as a standard of electrical current derived only from a frequency and the fundamental charge. To date, the error rate in semiconductor 'tuneable-barrier' pump devices, those which show most promise for high-frequency operation, have not been tested in detail. We present high-accuracy measurements of the current from an etched GaAs quantum dot pump, operated at zero source-drain bias voltage with a single ac-modulated gate at 340 MHz driving the pump cycle. By comparison with a reference current derived from primary standards, we show that the electron transfer accuracy is better than 15 parts per million. High-resolution studies of the dependence of the pump current on the quantum dot tuning ...

2010-07-01

476

A Simultaneous Quantum Secure Direct Communication Scheme between the Central Party and Other M Parties  

Science.gov (United States)

We propose a simultaneous quantum secure direct communication scheme between one party and other three parties via four-particle GHZ states and swapping quantum entanglement. In the scheme, three spatially separated senders, Alice, Bob and Charlie, transmit their secret messages to a remote receiver Diana by performing a series of local operations on their respective particles according to the quadripartite stipulation. From Alice, Bob, Charlie and Diana's Bell measurement results, Diana can infer the secret messages. If a perfect quantum channel is used, the secret messages are faithfully transmitted from Alice, Bob and Charlie to Diana via initially shared pairs of four-particle GHZ states without revealing any information to a potential eavesdropper. As there is no transmission of the qubits carrying the secret message in the public channel, it is completely secure for the direct secret communication. This scheme can be ...

2005-10-01

477

A low-temperature calorimetric study of synthetic (forsterite+fayalite) {(Mg2SiO4+Fe2SiO4)} solid solutions: An analysis of vibrational, magnetic, and electronic contributions to the molar heat capacity and entropy of mixing  

International Nuclear Information System (INIS)

The molar heat capacities (Cp,m) of a series of synthetic forsterite (Fo)-fayalite (Fa), (Mg2SiO4+Fe2SiO4), olivines have been measured between 5K and 300K on milligram-sized samples with the Physical Properties Measurement System (Quantum Design(R)). Sharp, ?-type heat capacity anomalies are observed in the Fe-rich compositions fayalite, Fo10Fa90, Fo20Fa80, Fo30Fa70, and Fo40Fa60. The corresponding Neel temperatures TN decrease linearly from 64.5K in fayalite to 32.8K in Fo40Fa60 following the relationship TN=79.02.xFa-14.07. Fo50Fa50 and Mg-richer olivines show weak broad features in the heat capacity data around 15K to 20K that decrease in magnitude with increasing forsterite content. In order to derive and separate molar electronic, magnetic and vibrational heat capacity contributions, Cel,m, Cmag,m, and Cvib,m from the experimental heat capacities (Ctot,m), we used a single-parametric phonon dispersion model to calculate Cvib,m for the ...

2007-06-01

478

Star-formation triggers and chemical evolution  

Energy Technology Data Exchange (ETDEWEB)

Comparative studies of flocculent and grand-design spirals suggest that density waves are not the predominant trigger of star formation in most galaxies. Implications for chemical evolution are profound. It may be possible to ignore the details of the spiral-wave phenomenon in research aimed at unifying the chemical properties of spiral disks. 16 references.

1986-10-01

479

Low-Level Exposure to Multiple Chemicals: Reason for Human Health Concerns?  

UK PubMed Central (United Kingdom)

BackgroundA key question in the risk assessment of exposures to multiple chemicals is whether mixture effects may occur when chemicals are combined at low doses which individually...Full Text Available

2007-12-01

480

Interactive Toxicity of Inorganic Mercury and Trichloroethylene in Rat and Human Proximal Tubules  

UK PubMed Central (United Kingdom)

Simultaneous or prior exposure to one chemical may alter the concurrent or subsequent response to another chemical, often in unexpected ways. This is particularly true when the two chemicals...Full Text Available

2007-06-15

481

Identification of environmental chemicals with estrogenic activity using a combination of in vitro assays.  

UK PubMed Central (United Kingdom)

Environmental chemicals that function as estrogens have been suggested to be associated with an increase in disease and dysfunctions in animals and humans. To characterize chemicals that may act as...Full Text Available

1996-10-01

482

Chemical activation of MEK1 - a redox trigger for evaluating the effects of phosphorylation.  

Science.gov (United States)

An approach to generate mimics of phosphorylated serine proteins chemically through site-specific sulfonation of cysteine is presented. This chemical modification is reversible in the presence of reducing agent and therefore is analogous to the kinase/phosphatase system used in nature. PMID:21717004

2011-06-30

483

Absence of morphologic correlation between chemical toxicity and chemical carcinogenesis.  

UK PubMed Central (United Kingdom)

The experimental data set used to evaluate site-specific histopathologic correspondence between the morphologic end points of toxicity and carcinogenicity comprises 130 chemical carcinogenesis studies....Full Text Available

1993-12-01

484

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

485

The effects of the focus ion beam milling process on the optical properties of semiconductor nanostructures  

International Nuclear Information System (INIS)

In this work, the effects of the focus ion beam (FIB) milling process on the optical properties of semiconductor nanostructures were investigated. With this aim, a sensitive materials system based on InGaAs/GaAs quantum dots with well known and excellent optical properties was selected for the FIB treatment. The FIB technique was used to locally remove a metallic mask deposited on top of the quantum dot sample. The photoluminescence (PL) signal, collected from the circular openings, was used to infer the possible damage effects of the ion beam on the properties of the dots.

2009-06-24

486

Tachyons and quantum field theory  

International Nuclear Information System (INIS)

The problems associated with treating tachoyons in quantum field theory are discussed, and the quantization proposed by Arons and Sudarshan is chosen as the most satisfactory of the presently available methods, although it is unable to describe interactions in its present form. In order to help determine whether suitable S-matrices can ever be found, a perturbation-type expansion for the S-matrix is considered. It is shown that if the first order term is any polynomial in the tachyon field and its conjugate, then the reinterpreted, or physical, S-matrix will violate unitarity. An example shows that the inclusion of derivatives of the field is also expected to produce non-unitary physical S-matrices. The indications are that a correct interesting theory of tachyons must be non-local.

487

Stability of Few-Charge Systems in Quantum Mechanics  

CERN Document Server

We consider non-relativistic systems in quantum mechanics interacting through the Coulomb potential, and discuss the existence of bound states which are stable against spontaneous dissociation into smaller atoms or ions. We review the studies that have been made of specific mass configurations and also the properties of the domain of stability in the space of masses or inverse masses. These rigorous results are supplemented by numerical investigations using accurate variational methods. A section is devoted to systems of three arbitrary charges and another to molecules in a world with two space-dimensions.

2004-01-01

488

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

489

Quantum correlations through event horizons: Fermionic versus bosonic entanglement  

Science.gov (United States)

We disclose the behavior of quantum and classical correlations among all the different spatial-temporal regions of a space-time with an event horizon, comparing fermionic with bosonic fields. We show the emergence of conservation laws for entanglement and classical correlations, pointing out the crucial role that statistics plays in the information exchange (and more specifically, the entanglement tradeoff) across horizons. The results obtained here could shed new light on the problem of information behavior in noninertial frames and in the presence of horizons, giving better insight into the black-hole information paradox.

2010-03-15

490

Quantum Secure Direct Communication with Four-Particle Genuine Entangled State and Dense Coding  

Science.gov (United States)

A quantum secure direct communication scheme using dense coding is proposed. At first, the sender (Alice) prepares four-particle genuine entangled states and shares them with the receiver (Bob) by sending two particles in each entangled state to him. Secondly, Alice encodes secret information by performing the unitary transformations on her particles and transmits them to Bob. Finally, Bob performs the joint measurements on his particles to decode the secret information. The two-step security test guarantees the security of communication.

2009-07-01

491

Nonrelativistic reduction and interpretation of the Klein-Gordon equation of tachyons  

International Nuclear Information System (INIS)

A one-dimensional tachyon Klein-Gordon equation is reduced to a nonrelativistic-tachyon equation of motion. The interpretation of this reduced equation leads to the following conclusions: 1) tachyons can be localized in time instead of in space as compared with bradyons, 2) space representation and momentum representation of bradyonic quantum equation of motion are replaced by time representation and energy representation in tachyon quantum equation of motion and 3) with the aid of these results, it has been found that the solutions of the tachyon Klein-Gordon equation of motion form a complete set. (author).

492

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

493

Modular symmetry in parametrically excited quantum oscillators  

Energy Technology Data Exchange (ETDEWEB)

It is shown that when a quantum mechanical oscillator is parametrically excited there are special values of the parameters for which the system will pass periodically through a lattice of coherent states associated with the modular group [Gamma]. It is shown that these [Gamma] transits can be used to determine unknown parameters. A method is given for detecting the transits experimentally and is made possible by the existence of three families of states associated with modular forms that are orthogonal to the lattice. For isotropic states the three families occur in [ital D]-mode systems with [ital D][gt]10, 14, and 26.

1993-11-29

494

Measurement of liquid xenon scintillation from heavy ions using a silicon photodiode  

Energy Technology Data Exchange (ETDEWEB)

Scintillation light in liquid xenon excited by 100 MeV/n Al ions was detected with a home-made silicon photodiode. The diameter of the photodiode was 2 inch. The effective quantum efficiency was observed to be 22% for the wavelength of liquid xenon scintillation light (170 nm), while the effective quantum efficiency for 5.486 MeV alpha-particle excitation was 44%. An energy resolution of 0.5% rms was achieved for the energy deposition of 2.5 GeV in liquid xenon using a fast preamplifier ({approx equal} 20 ns). (orig.).

1991-11-15

495

Gamma-ray Burst UV/optical afterglow polarimetry as a probe of Quantum Gravity  

CERN Document Server

A possible birefringence effect that arises in quantum gravity leads to a frequency-dependent rotation of the polarization angle of linearly polarized emission from distant sources. Here we use the UV/optical polarization data of the afterglows of GRB 020813 and GRB 021004 to constrain this effect. We find an upper limit on the Gambini & Pulin birefringence parameter $| \\eta | <2\\times 10^{-7}$. This limit is of 3 orders better than the previous limits from observations of AGNs and of the Crab pulsar. Much stronger limits may be obtained by the future observation of polarization of the prompt $\\gamma$-rays.

2007-01-01

496

Coulomb-interaction driven anomaly in the Stark effect for an exciton in vertically coupled quantum dots  

Energy Technology Data Exchange (ETDEWEB)

The effect of the electric field on an exciton confined in a pair of vertically coupled quantum dots is studied. We use a single-band approximation and a parabolic model potential. As a result of these idealizations, we obtain a numerically solvable model, which is used to describe the influence of the electron-hole interaction on the Stark effect for the lowest-energy photoluminescence lines. We show that for intermediate tunnel coupling between the dots this interaction leads to an anomalous Stark effect with an essential deviation of the recombination energy from the usual quadratic dependence on the electric field.

2005-04-15

497

Constraints on extra dimensions from cosmological and terrestrial measurements  

CERN Document Server

If quantum fields exist in extra compact dimensions, they will give rise to a quantum vacuum or Casimir energy. That vacuum energy will manifest itself as a cosmological constant. The fact that supernova and cosmic microwave background data indicate that the cosmological constant is of the same order as the critical mass density to close the universe supplies a lower bound on the size of the extra dimensions. Recent laboratory constraints on deviations from Newton's law place an upper limit. The allowed region is so small as to suggest that either extra compact dimensions do not exist, or their number is about to be tightly constrained by experimental data.

2001-01-01

498

Are classical tachyons slower-than-light quantum particles  

Energy Technology Data Exchange (ETDEWEB)

After having studied the shape that a tachyon T (e.g., intrinsically spherical) would take up, we show in an explicit example that the characteristics of classical tachyons are similar to those of the ordinary (slower-than-light) quantum particles. In particular, a realistic tachyon is associated with a ''phase speed'' V(V/sup 2/>c/sup 2/), but with a ''group speed'' upsilon=c/sup 2//V (upsilon/sup 2/

1983-07-02

499

A practical scheme for error control using feedback  

CERN Document Server

We describe a scheme for quantum error correction that employs feedback and weak measurement rather than the standard tools of projective measurement and fast controlled unitary gates. The advantage of this scheme over previous protocols (for example Ahn et. al, PRA, 65, 042301 (2001)), is that it requires little side processing while remaining robust to measurement inefficiency, and is therefore considerably more practical. We evaluate the performance of our scheme by simulating the correction of bit-flips. We also consider implementation in a solid-state quantum computation architecture and estimate the maximal error rate which could be corrected with current technology.

2004-01-01

500

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