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.

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.

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

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 ...

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.

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.

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.

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 ...

International Nuclear Information System (INIS)

Short communication.

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.

CERN Document Server

Quantum man

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

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 ...

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

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 catalysts.

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 ...

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 ...

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 ...

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, ...

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.

International Nuclear Information System (INIS)

We review some interesting virtual effects from the minimal supersymmetric model (MSSM) at #gamma##gamma# colliders. We conclude that in the research respects, such as supersymmetric particle pair production, CP-violation and electroweak-like one-loop corrections in top quark pair production, the FCNC in the R_p-violating MSSM, linear collider (LC) operating in photon-photon collision mode provides powerful facilities in the measurements of new physics objects. For a precise and thorough study of the new physics, the investigation of the supersymmetric quantum effects is necessary. (author)

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.

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 ...

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. ...

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)

Energy Technology Data Exchange (ETDEWEB)

Two additional hyperfine components of the interstellar radical C3H were detected. In addition, methanol was discovered in interstellar clouds. The abundance of HCCN and various chemical isomers in molecular clouds was investigated.

International Nuclear Information System (INIS)

InP-quantum dots (QDs) are promising sources of single-photons and as active laser medium, emitting in the red part of the visible spectrum and thus in the range of the highest sensitivity of current silicon detectors. The self assembled QDs were grown by metal organic vapor phase epitaxy and are embedded in between distributed Bragg reflectors (DBRs), afterwards the sample was processed by a Focused Ion Beam to fabricate micro-pillars. The DBRs and the high refractive index step between pillar and air results in a three dimensional mode confinement and highly directed emission and thus higher intensity. We have investigated the mode spectra by micro-photoluminescence measurements for different pillar diameters and compared the spectra with a theoretical model showing up good consistency. Q-factors up to 3600 were achieved.

Science.gov (United States)

Our Universe is ruled by quantum mechanics and its extension quantum field theory. However, the explanations for a number of cosmological phenomena such as inflation, dark energy, symmetry breakings, and phase transitions need the presence of classical scalar fields. Although the process of condensation of scalar fields in the lab is fairly well understood, the extension of results to a cosmological context is not trivial. Here we investigate the formation of a condensate--a classical scalar field--after reheating of the Universe. We assume a light quantum scalar field produced by the decay of a heavy particle, which for simplicity is assumed to be another scalar. We show that during the radiation domination epoch under certain conditions, the decay of the heavy particle alone is sufficient for the production of a condensate. This process is very similar to preheating--the exponential particle ...

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.).

International Nuclear Information System (INIS)

Production treatment chemicals represent a diverse collection of chemical classes, added at various points from the wellhead to the final flotation cell, to prevent operational upsets and enhance the separation of oil from water. Information in the literature indicates that while many treatment chemicals are thought to partition into oil and not into the produced water, there are cases where a sufficiently water soluble treatment chemical is added at high enough concentrations to suggest that the treatment chemical may add to the aquatic toxicity of the produced water. A study was conducted to evaluate the potential effect of production treatment chemicals on the toxicity of produced waters using the US EPA Seven-day Mysidopsis bahia Survival, Growth and Fecundity Test. Samples of produced water were collected and tested for toxicity from three platforms under ...

International Nuclear Information System (INIS)

An approach to high energy nuclear reactions (relativistic nuclear physics) is developed on the basis of the quark-parton-flucton concept. The main assumptions underlying the known parton chain model are briefly reformulated, modified and generalized to the flucton case. This new model is used to investigate electron-nuclei and muon-nuclei inclusive reactions within the framework of quantum electrodynamics. The theoretical results are fitted well with existing data. (Auth.).

Environmental Research Database

DescriptionThis project has two independent aims: (1) to investigate the use of struvite as an alternative to chemical P fertilisers and (2) to develop an oligonucleotide microarray to monitor the P status of the potato crop. The UK horticultural and agricultural industries rely on large inputs of phosphate (P) fertilisers to maintain crop yields and quality. However, the use of non-renewable, chemical P fertilisers is unsustainable, and the alternatives to chemical P-fertilisers must be identified as an [continued...

CERN Document Server

Upcoming high-intensity laser systems will be able to probe the quantum-induced nonlinear regime of electrodynamics. So far unobserved QED phenomena such as the discovery of a nonlinear response of the quantum vacuum to macroscopic electromagnetic fields can become accessible. In addition, such laser systems provide for a flexible tool for investigating fundamental physics. Primary goals consist in verifying so far unobserved QED phenomena. Moreover, strong-field experiments can search for new light but weakly interacting degrees of freedom and are thus complementary to accelerator-driven experiments. I review recent developments in this field, focusing on photon experiments in strong electromagnetic fields. The interaction of particle-physics candidates with photons and external fields can be parameterized by low-energy effective actions and typically predict characteristic optical signatures. I perform first estimates of ...

International Nuclear Information System (INIS)

The site-selective growth of InAs quantum dots (QDs) by a combined focused ion beam (FIB) and molecular beam epitaxy (MBE) process has been demonstrated. An array of FIB modified spots on MBE grown GaAs was fabricated. Thereafter, an in situ annealing step followed by InAs deposition was performed. The InAs QDs were preferentially formed in the holes generated by the FIB. The influences of ion dose, annealing parameters, and InAs amount were investigated. With optimized parameters, the authors observe more than 50% single dot occupancy per holes. Photoluminescence spectra confirm the good optical quality of the QDs.

Energy Technology Data Exchange (ETDEWEB)

We investigate the quantum cosmology of spatially homogeneous models with compact spatial sections admitting a u(2) isometry algebra. The metric ansatz in these models is that of Bianchi type IX with two scale factors set to be equal. We apply the Hartle-Hawking no-boundary path integral prescription and find the semi-classical contributions to the wave function. Exact formulae are obtainable for certain contributions and otherwise the limits of large and small anisotropy (for the pure vacuum case) and large spatial volume or small anisotropy (for the case with a positive cosmological constant) are considered. For the pure vacuum case we find no semiclassical components which would correspond to Lorentzian universes. For the case with a cosmological constant the Hartle-Hawking boundary conditions formally constrain one of the parameters in the Lorentzian solutions to be purely imaginary. Possible interpretations of this imaginary parameter are ...

International Nuclear Information System (INIS)

Atmospheric pressure plasma enhanced chemical vapour deposition system is built. The electrical and optical characteristics of the APPECVD system is given. The system is used to deposit conductive polymers and nano composites onto glass and metal surfaces. The morphological, optical, chemical and electrical characteristics of deposited surfaces are investigated using SEM, AFM four probe deposition purposes. The photovoltaic applications of plasma deposited polymers and nonconsumption are compared with deposited with electrochemical methods show different results. The electrical, chemical and morphological structures of the samples will be given.

CERN Document Server

The structure of Poisson polynomial algebras of the type obtained as semiclassical limits of quantized coordinate rings is investigated. Sufficient conditions for a rational Poisson action of a torus on such an algebra to leave only finitely many Poisson prime ideals invariant are obtained. Combined with previous work of the first-named author, this establishes the Poisson Dixmier-Moeglin equivalence for large classes of Poisson polynomial rings, such as semiclassical limits of quantum matrices, quantum symplectic and euclidean spaces, quantum symmetric and antisymmetric matrices. For a similarly large class of Poisson polynomial rings, it is proved that the quotient field of the algebra (respectively, of any Poisson prime factor ring) is a rational function field $F(x_1,...,x_n)$ over the base field (respectively, over an extension field of the base field) with $\\{x_i,x_j\\}= \\lambda_{ij} x_ix_j$ for ...

Energy Technology Data Exchange (ETDEWEB)

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

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.

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.

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.

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.

British Library Electronic Table of Contents (United Kingdom)

Ruthenium(II) and Iridium(III) polypyridyl complexes have been intensively investigated due to their use in energy conversion and light-emitting devices and materials for non-linear optics. Quantum mechanical computer simulations of molecules and materials have become increasingly popular in the scientific community. Along with experimental investigations, such computational analyses can provide complementary information on the electronic and optical properties of transition metal compounds of interest for optoelectronic applications. Here, we provide a unified review of recent work carried out on computational investigations of a large series of Ruthenium(II) and Iridium(III) polypyridyl complexes, discussing the relations between their electronic structure and optical properties and thei...

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.

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.

International Nuclear Information System (INIS)

Investigations were made on the biodegradability and bacterial toxicity of chemicals. The intention was to obtain data necessary for estimating and judging the behaviour of these chemicals during aerobic biological waste water treatment. The course of biodegradation and toxicity with time and concentration could be measured, quantified and described. As test procedure, the respirometric dilution method was used. This method is based on a die away test with continuous measuring of the oxygen used for biochemical oxidation processes. The course of the oxygen demand with time and concentration shows the biodegradation and toxicity patterns of the tested chemical. A variety of household and industrial chemicals were investigated. One group of substances were microbiocides, some of which showed toxic effects at concentrations less than 20 mg/l while others were ...

International Nuclear Information System (INIS)

We theoretically investigate the features of two-photon absorption in a coherently driven four-level atomic system with closed-loop configuration. It is found that two-photon absorption can be completely suppressed just by properly adjusting the relative phase of four coherent low-intensity driving fields and the atomic system becomes transparent against two-photon absorption. From a physical point of view, we explicitly explain these results in terms of quantum interference induced by two different two-photon excitation channels.

Science.gov (United States)

The electron-capture processes of highly stripped ions of Fq+ (q=6,7,8) and Neq+ (q=7,8,9) in collisions with He atom were investigated using the energy-gain spectroscopy technique. A single dominant peak is observed in most of the energy-gain spectra except for the Ne7+ and Ne9+ spectra, in which two peaks are observed corresponding to the one-electron capture process into levels with different principal quantum number n.

Energy Technology Data Exchange (ETDEWEB)

We have investigated the generation and propagation of misfit dislocations in strained In/sub y/Ga/sub 1-//sub y/As/GaAs multiquantum wells grown by molecular-beam epitaxy, with cross-sectional transmission electron microscopy. The samples are of excellent optical quality, with multiquantum wells having well widths of 100 A, being characterized by excitonic linewidths and Stokes shifts of 1.5--2.5 and 1--2 meV, respectively. We have examined the growth of 2-..mu..m-thick multiquantum-well samples grown either directly on GaAs, or with an intermediate composition buffer layer, and for the cases of small (y = 0.07) and large (y = 0.16) misfits. It is seen that for the case of quantum wells with small misfit, grown directly on GaAs, metastable growth can be achieved. This is confirmed by low-temperature absorption measurements and from transmission electron microscopy experiments performed both before and after post-growth thermal annealing. In ...

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) type show that excess ...

International Nuclear Information System (INIS)

The subject of quantum optics has undergone considerable development in the last twenty-five years. Spurred by the invention of the laser, the theoretical understanding of the coherence and statistical properties of optical beams has now attained a stage of maturity where it is possible to treat different kinds of light sources. Over approximately the latter half of this period of development in quantum optics, the free-electron laser (FEL) has been developed to the point where it is now regarded as a tunable light source of considerable versatility, with prospects of producing radiation over a wide range of wavelengths at large levels of power. Since the basic mechanism for radiation gain in an FEL can be understood in classical terms, much of the literature on the subject does not need to venture outside the domain of classical physics. However, it is natural that the coherence and statistical properties of photon beams produced by FEL's ...

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

A chemical equilibrium model is used, implemented in a compact FORTRAN package called HITEQ, to investigate possible mineral deposition related to prereinjection treatment of Cerro Prieto brines for silica removal. Large saturation ratios of the treated brines with respect to several minerals are indicated by these computations. As a remedy, an inexpensive CO/sub 2/ removal scheme aimed at inhibiting carbonate mineral precipitation is proposed. This scheme is quantitatively discussed with the aid of HITEQ. It is concluded that the proposed treatment is both technically and economically feasible.

UK PubMed Central (United Kingdom)

Toxicity and potential carcinogenicity studies of boric acid were investigated in mice to verify in a second rodent species that this was a noncarcinogenic chemical. Earlier chronic studies in rats...Full Text Available

UK PubMed Central (United Kingdom)

In Germany, the Commission for the Investigation of Health Hazards of Chemical Compounds in the Work Area (MAK Commission) generally sets maximum workplace concentration values (i.e., a proposed occupational...Full Text Available

Science.gov (United States)

The objectives of this study were to investigate the flocculation/flotation characteristics of combined sewer overflow through laboratory and field testing. The concept involves the introduction of chemicals and buoyant flotation aids into the overflow and the subsequent cofloccu...

Science.gov (United States)

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

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 ...

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 ...

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.

International Nuclear Information System (INIS)

Lead is contained as trace element in uranium ores and propagates throughout the production process to intermediate products like yellow cake or uranium oxide. The lead isotopes in such material originate from two sources: natural lead and radiogenic lead. The variability of the isotopic composition of lead in ores and yellow cakes was studied and the applicability of this parameter for nuclear forensic investigations was investigated. Furthermore, the chemical impurities contained in these materials were measured in order to identify characteristic differences between materials from different mines. For the samples investigated, it could be shown, that the lead isotopic composition varies largely from mine to mine and it may be used as one of the parameters to distinguish between materials of different origins. Some of the chemical impurities show a similar pattern and support the ...

British Library Electronic Table of Contents (United Kingdom)

Eddy current testing is one of the most widely used methods in non-destructive testing for the inspection of conductive materials. Numerical modelling of eddy current testing has emerged as an important approach alongside experimental studies. This paper investigates an application of numerical modelling and experimental study as a means of the quantitative non-destructive evaluation (QNDE) of defects in conductive samples. There are two methods of measuring eddy current response, more commonly by measuring the change in impedance of the eddy current probe coil, or as used in this work, by measuring the change in magnetic field directly using magnetic field sensors such as superconducting quantum interference devices, giant magneto resistance, or as in this case Hall sensors. Specifically,...

Energy Technology Data Exchange (ETDEWEB)

In the present study, models of key chemical processes governing the compositions of the tapped metal from the cupola on the basis of physico-chemical fundamentals have been developed. As evident from the literature survey, the investigations conducted in the past have focused their attention on one phenomenon at a time; for example, a particular chemical reaction, measurement of gas composition or the temperature distribution inside a cupola. Notwithstanding the importance of these studies and their contribution toward the understanding of cupola operation, mathematical models of key chemical processes and their interdependence must be investigated to obtain a complete insight into the various interlinked phenomena occurring inside a cupola. For example, the oxidation of the metallic charge leads to the formation of iron oxide which influences the final content ...

Energy Technology Data Exchange (ETDEWEB)

Ga{sub 0.6}In{sub 0.4}P/(Al{sub 0.8}Ga{sub 0.2}){sub 0.4}In{sub 0.6}P strain-compensated multiple quantum wells (SCMQW) and Ga{sub 0.5}In{sub 0.5}P/(Al{sub 0.4}Ga{sub 0.6}){sub 0.5}In{sub 0.5}P unstrained MQW were grown by MOVPE to investigate the shift of photoluminescence (PL) peak wavelength and the carrier lifetime caused by strain effect in SCMQW. The PL peaks of SCMQW and unstrained MQW were 608 and 628 nm, respectively. From the rocking curve of SCMQW, it indicated that the active layers of SCMQW were not zero net strain. The residual strain caused the emission intensity of SCMQW to be about four times weaker than that of unstrained MQW. The carrier lifetimes of SCMQW and unstrained MQW were measured to be 3 and 6.02 ns, respectively. It was conjectured that the residual strain in SCMQW induced a decrease in the carrier lifetime by a factor of two with respect to that of unstrained MQW.

Energy Technology Data Exchange (ETDEWEB)

The new frustrated square-lattice system, Pb{sub 2}VO(PO{sub 4}){sub 2}, has been investigated using polarised neutron scattering. From these studies, made on powdered samples, we have determined the nature of the exchange interactions and the magnetic ordering for this novel quantum magnet. Quantum order from disorder occurs at low temperature, and the ground state observed below the Neel temperature T {sub N}{approx}3.7 K is a collinear antiferromagnet. At room temperature there are no magnetic correlations and it is possible to model the scattering with the V{sup 4+} magnetic form factor. However, at T{approx}20 K, a temperature well into the paramagnetic phase, magnetic correlations are observed, and these spin correlations have been modelled using a high-temperature series expansion. Ferromagnetic nearest-neighbour exchange J {sub 1}{approx}-2 K and antiferromagnetic next-nearest-neighbour exchange J {sub 2}{approx}6.5 ...

Science.gov (United States)

The primary concern of this work is to study the emission characteristics of a series of chiral nematic liquid crystal lasers doped with different laser dyes (DCM, pyrromethene 580, and pyrromethene 597) at varying concentrations by weight (0.5-2 wt %) when optically pumped at 532 nm. Long-wavelength photonic band-edge laser emission is characterized in terms of threshold energy and slope efficiency. At every dye concentration investigated, the pyrromethene 597-doped lasers exhibit the highest slope efficiency (ranging from 15% to 32%) and the DCM-doped lasers the lowest (ranging from 5% to 13%). Similarly, the threshold was found to be, in general, higher for the DCM-doped laser samples in comparison to the pyrromethene-doped laser samples. These results are then compared with the spectral properties, quantum efficiencies and, where possible, fluorescence lifetimes of the dyes dispersed in a common nematic host. In accordance with the low ...

International Nuclear Information System (INIS)

We investigate the quantum cosmology of spatially homogeneous models with compact spatial sections admitting a u(2) isometry algebra. The metric ansatz in these models is that of Bianchi type IX with two scale factors set to be equal. We apply the Hartle-Hawking no-boundary path integral prescription and find the semi-classical contributions to the wave function. Exact formulae are obtainable for certain contributions and otherwise the limits of large and small anisotropy (for the pure vacuum case) and large spatial volume or small anisotropy (for the case with a positive cosmological constant) are considered. For the pure vacuum case we find no rapidly oscillating semiclassical components in the wave function, and hence do not recover lorentzian space-time as a prediction of the no-boundary proposal. For the case with a cosmological constant the wave function does contain rapidly oscillating components and thus predicts approximately ...

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.

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...

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...

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...

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 ...

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)

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.

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 ...

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 which are not ...

Energy Technology Data Exchange (ETDEWEB)

Micropatterned surfaces with different chemical topographies were synthesised in order to investigate the influence of surface chemistry and topography on cell behaviour. The microstructured materials were synthesised by photoimmobilising natural Hyaluronan (Hyal) and its sulphated derivative (HyalS), both adequately functionalised with a photorective moiety, on glass substrates. Four different grating patterns (10, 25, 50 and 100 {mu}m) were used to pattern the hyaluronan. The micropatterned samples were analysed by Secondary Ions Mass Spectrometry, Scanning Electron Microscopy (SEM) and Atomic Force Microscopy to investigate the chemistry and the topography of the surfaces. The spectroscopic and microscopic analysis of the microstructured surfaces revealed that the photoimmobilisation process was successful, demonstrating that the photomask patterns were well reproduced on the sample surface. The influence of ...

Energy Technology Data Exchange (ETDEWEB)

A considerable amount of chemical knowledge of marine sediments has been acquired in recent years but has not yet been utilized by paleomagnetists. On the other hand, geochemists are often unaware of the usefulness of numerous magnetic techniques. In this review we try to bridge this gap, and in particular, we outline many of the chemical and magnetic principles that should allow paleomagnetists to better identify and undertand chemical changes that affect the magnetic properties of marine sediments. The chemical principles include those for distinguishing the four major sources of sediments (continental, biological, authigenic/hydrogenous, volcanic/hydrothermal) from one another by determining elemental abundance distributions, as well as for investigating the stabilities of mineral phases relative to changes in pE and pH. The magnetic principles include the effects of authigenesis ...

International Nuclear Information System (INIS)

This paper describes the chemical constituents isolated from aerial parts of the plant Galianthe brasiliensis. From a methanol extract, the iridoid glycosides asperuloside, deacetylasperuloside, mixture of Z- and E-6-O-p-coumaroylscandoside methyl ester, the triterpene ursolic acid and the steroids stigmasterol, campesterol, b-sitosterol and 3-O-b-glucopyranosyl sitosterol were isolated. The structures of the natural products were identified on the basis of spectral data, including 2D NMR experiments. The antiproliferative properties of the crude methanolic extract were investigated against a series of nine human cancer cell lines. (author)

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).

International Nuclear Information System (INIS)

Eu"3"+ and Tb"3"+ complexes with novel branched calix[4]arene ligands incorporating 2,2' -bipyridine subunits functionalized in the 6- or 5,5'-positions have been synthesized and their photophysical properties investigated. High luminescence intensity was obtained for the Eu"3"+ complex of the calix[4]arene ligand carrying four 5,5' -substituted- 2,2' -bipyridines, which has high molar extinction coefficients (#epsilon#_m_a_x 39 600 M"-"1 cm"-"1) and a high luminescence quantum yield (15%). (authors). 12 refs., 2 figs., 1 tab.

Energy Technology Data Exchange (ETDEWEB)

Since the fluoroscopic image during nasoenteral tube placements is used for guidance and not for diagnosis, a lower contrast image with increased quantum mottle can be easily tolerated. The three methods to reduce the radiation dose rate investigated consisted of removing camera from the image intensifier output phosphor, and setting the fluoroscopic mA to the minimum value so that the kVp could be maximized. Fluoroscopic frozen video frames of a clinical tube insertion comparing the images with and without the dose-saving techniques are presented. Measurements of the radiation dose rates using a Plexiglas phantom show that the dose for patient and staff during fluoroscopic-guided nasoenteral tube placements can be reduced by over a factor of 10 without significantly adversely affecting the actual placement procedure. (author).

CERN Document Server

We review and extend in several directions recent results on the asymptotic safety approach to quantum gravity. The central issue in this approach is the search of a Fixed Point having suitable properties, and the tool that is used is a type of Wilsonian renormalization group equation. We begin by discussing various cutoff schemes, i.e. ways of implementing the Wilsonian cutoff procedure. We compare the beta functions of the gravitational couplings obtained with different schemes, studying first the contribution of matter fields and then the so-called Einstein-Hilbert truncation, where only the cosmological constant and Newton's constant are retained. In this context we make connection with old results, in particular we reproduce the results of the epsilon expansion and the perturbative one loop divergences. We then apply the Renormalization Group to higher derivative gravity. In the case of a general action quadratic in curvature we recover, within certain ...

International Nuclear Information System (INIS)

We obtain and investigate the regular eigenfunctions of simple differential operators xr dr+1/dxr+1, r = 1, 2, ..., with the eigenvalues equal to 1. With the help of these eigenfunctions, we construct a non-unitary analogue of a boson displacement operator which will be acting on the vacuum. In this way, we generate collective quantum states of the Fock space which are normalized and equipped with the resolution of unity with the positive weight functions that we obtain explicitly. These states are thus coherent states in the sense of Klauder. They span the truncated Fock space without first r lowest-lying basis states: |0), |1), ..., |r - 1). These states are squeezed, sub-Poissonian in nature and reminiscent of photon-added states in Agarwal and Tara (1991 Phys. Rev. A 43 492).

CERN Document Server

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

CERN Document Server

We investigate the effect of the intrinsic spin of a fundamental spinor field on the surrounding spacetime geometry. We show that despite the lack of a rotating stress-energy source (and despite claims to the contrary) the intrinsic spin of a spin-half fermion gives rise to a frame-dragging effect analogous to that of orbital angular momentum, even in Einstein-Hilbert gravity where torsion is constrained to be zero. This resolves a paradox regarding the counter-force needed to restore Newton's third law in the well known spin-orbit interaction. In addition, the frame-dragging effect gives rise to a {\\it long-range} gravitationally mediated spin-spin dipole interaction coupling the {\\it internal} spins of two sources. We argue that despite the weakness of the interaction, the spin-spin interaction will dominate over the ordinary inverse square Newtonian interaction in any process of sufficiently high-energy for quantum field theoretical ...

CERN Document Server

Assuming the hoop conjecture in classical general relativity and quantum mechanics, any observer who attempts to perform an experiment in an arbitrarily small region will be stymied by the formation of a black hole within the spatial domain of the experiment. This behavior is often invoked in arguments for a fundamental minimum length. Extending a proof of the hoop conjecture for spherical symmetry to include higher curvature terms we investigate this minimum length argument when the gravitational couplings run with energy in the manner predicted by asymptotically safe gravity. We show that argument for the mandatory formation of a black hole within the domain of an experiment fails. Neither is there a proof that a black hole doesn't form. Instead, whether or not an observer can perform measurements in arbitrarily small regions depends on the specific numerical values of the couplings near the UV fixed point. We further argue that when an ...

British Library Electronic Table of Contents (United Kingdom)

Methylation of the DNA bases in the Watson-Crick GC and AT base pairs by the methyldiazonium ion was investigated employing density functional and second order Moller-Plesset (MP2) perturbation theories. Methylation at the N3, N7 and O6 sites of guanine, N1, N3 and N7 sites of adenine, O2 and N3 sites of cytosine and the O2 and O4 sites of thymine were considered. The computed reactivities for methylation follow the order N7(guanine)>N3(adenine)>O6(guanine) which is in agreement with experiment. The base pairing in DNA is found to play a significant role with regard to reactivities of the different sites.

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.

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.

Science.gov (United States)

DC Field, Value, Language.

International Nuclear Information System (INIS)

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

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[image omitted

International Nuclear Information System (INIS)

Chlorine is not just one of many chemical feedstocks which is used in a few definitely harmful products like PVC or CFC but is irrelevant in all other respects. Just the opposite is true: There is hardly any product line of the chemical industry that can do without chlorine, from herbicides and pesticides to dyes, plastics, pharmaceuticals, photographic atricles, and cosmetics. Chlorine is not only a key element of chemical production but also an ubiquitous element of everyday life in civilisation. There are even many who would agree that the volume of chlorine production is an indicator of the competitive strength and national wealth of a modern society. By now, however, it has become evident that the unreflected use of chlorine is no longer ecologically acceptable. The consequences of a chlorine phase-out as compared to the continued chlorine production at the present level were investigated ...

British Library Electronic Table of Contents (United Kingdom)

To form a licensing basis for a new methodology for a fuel channel safety analysis code for CANDU-6 nuclear reactor, a CATHENA model for a post-blowdown fuel channel analysis has been developed, and tested for a high temperature thermal-chemical experiment CS28-1 [Lei, Q.M., 1993. Post-test analysis of the 28-element high-temperature thermal-chemical experiment CS28-1. In: 4th International Conference on Simulation Methods in Nuclear Engineering, Montreal, PQ, 1993]. Pursuant to the objective of this investigation, the current study has focused on understanding the involved phenomena, their interrelations, and how to maintain a good accuracy of the temperature and H2 generation rate prediction without losing the important physics of the involved phenomena. The transient simulation results ...

Science.gov (United States)

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

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.

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 ...

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 ...

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.

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.

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.

British Library Electronic Table of Contents (United Kingdom)

Background. Reports of positive patch test and photopatch test reactions to the chemical ultraviolet filter octocrylene have increased during the last decade. Little is known about the reason for octocrylene's allergenic activity. Objectives. To present and discuss the results of patch tests and photopatch tests with octocrylene, and to investigate the possible cause of its allergenic properties. Methods. Results of patch tests and photopatch tests with octocrylene in patients with adverse skin reactions to sunscreen products and/or ketoprofen were collected. The allergenic potency of octocrylene was investigated in the murine local lymph node assay (LLNA). Chemical reactivity assays were used to mimic octocrylene's interaction with biomolecules. Results. We report 23 cases of positive tes...

International Nuclear Information System (INIS)

Full text: Nuclear material is subjected to chemical processing throughout the entire fuel cycle. Traces of the chemical reagents and solvents are left behind in the nuclear material. So far essentially metallic impurities or light elements have been investigated for their potential in providing clues on the type of process they originate from. In the present investigation, the applicability of anions for attributing nuclear material to a certain chemical process has been investigated. Anions (e.g. nitrate, sulphate, phosphate, chloride) originate from acids or salt solutions that are used for processing of solutions containing uranium or plutonium. The study presented in this paper focuses on yellow cake samples originating from different mines applying different chemical processes for leaching, dissolving and precipitating the uranium. ...

International Nuclear Information System (INIS)

We have studied the correlation between the chemical state and the oxygen-sensing properties of an iron oxide thin film using a setup that allows simultaneous sensor resistance measurements and X-ray photoelectron spectroscopy (XPS) data acquisition. The gas exposures were performed at the highest operating pressure of the XPS spectrometer at a controlled sample temperature which allows direct comparison between the sensor response and the chemical state of the surface. The iron oxide film was modified by a sequence of argon ion sputtering steps and the induced changes in the chemical state, resistance, and sensitivity to oxygen were investigated. The sputtering was found to reduce the iron from the Fe"3"+ to the Fe"2"+ state and to decrease the sensor resistance. The measured sensitivity to oxygen first increased by a factor of two but then collapsed to its original level. The mechanism for oxygen ...

International Nuclear Information System (INIS)

The preparation of wood-plastic combinations (WPC) using combined methods for curing intermediate products and final products is described. In the first step, impregnated wood was irradiated using doses of 1 to 10 kGy in the presence of chemical initiators of polymerization. Thereafter, curing of this partly cured impregnating mixture was accomplished in the wood at elevated temperatures with the aid of chemical initiators of polymerization. Impregnation mixtures based on unsaturated polyester resins and methyl methacrylate, and the wood species European Beech (Fagus silvatica) and Black Alder (Alnus glutinosa) were used. The results indicate that this method of preparing WPC allows substantially lower radiation doses to be used, i.e., doses in the range of 1 to 2.5 kGy. These doses gelatinate the impregnation mixture in the wood so that the subsequent curing by chemical polymerization initiators proceeds without the ...

International Nuclear Information System (INIS)

Ignoring the numerous, known and mainly unknown, interactions between chemicals and ionizing radiations, causes strong controversy about the risks of ionizing radiations. Yet the best known interactions between chemicals and radiations is that between radon and tobacco smoke. Although it is and it will be always impossible to derive quite quantitative laws for this interaction, it has been possible to derive some semi-quantitative relationships based on reasonable assumptions and statistics on lung cancer deaths in developed countries. They show that ignoring the dangers of tobacco smoking as we did still long after we had recognised the dangers of radiations, could asses to radiations thirty or forty times more risks than reality. As present world is flown by tens of thousands chemicals, little or not present in a natural environment, and as it would be very surprising that some hundreds of these do not behave like those ...

Energy Technology Data Exchange (ETDEWEB)

Modern digital radiographic 'flat panel' detectors can exhibit a progressive form of image degradation arising from non-functioning pixels. The effect of these 'dead pixels' on the quantitative image quality measures of modulation transfer function (MTF), noise power spectrum (NPS) and detective quantum efficiency (DQE) is investigated by a simulated degradation of images obtained from an Hologic EPEX system. The effects on the semi-quantitive measures obtained from contrast threshold test objects and resolution gratings are also investigated. Results suggest that the contrast-detail tests often employed in quality assurance measures are not sufficient to reveal the presence of dead pixels until well beyond the recommended replacement point for the flat panel detector. However, measurements of spatial resolution using a line pairs phantom were found to be more sensitive to pixel loss. ...

Energy Technology Data Exchange (ETDEWEB)

A rigorous mathematical model is developed to describe chemical absorption of carbon dioxide in a falling-film micro-contactor. Contrary to previous models described in literature, hydrodynamics in both phases is accurately captured by the Navier-Stokes equations. By this means, backmixing effects can be accounted for. Furthermore, the interface position is determined directly using the level-set method. The developed model is validated with experimental data obtained from literature and a good agreement is established. With the validated model, detailed studies are performed to investigate the impact of process parameters.

Energy Technology Data Exchange (ETDEWEB)

Radian Corporation was contracted to investigate duct injection and ESP phenomena in a 1.7 MW pilot plant constructed for this test program. This study was an attempt to resolve problems found in previous studies and answer remaining questions for the technology using an approach which concentrates on the fundamental mechanisms of the process. The goal of the study was to obtain a better understanding of the basic physical and chemical phenomena that control: (1) the desulfurization of flue gas by calcium-based reagent, and (2) the coupling of an existing ESP particulate collection device to the duct injection process. Process economics are being studied by others. (VC)

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 ...

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.

Science.gov (United States)

The chemical reaction between nitric acid and sodium chloride was investigated in onder to provide preliminary information for subsequent studies on the interaction between simulated Purex waste solution and salt. The reaction is characterized by the production of chlorine and nitrosyl chloride and can be considered to be the same as the aqua regia reaction. Within the limits of the conditions imposed by the projected field studies, the acid concentration and temperature are the two parameters which control the extent of the interaction. (auth)

Environmental Research Database

DescriptionThis cross-disciplinary project will combine chemical, ecological and modelling techniques to determine whether cabbages grown under an organic regime differ in terms of pest dynamics and plant chemistry. There is increasing pressure to de-intensify agricultural practice and organic approaches are becoming more popular and widely adopted. However, there are very few, if any, detailed scientific investigations into the claims made about improved pest control, reduced environmental impact and be [continued...

Energy Technology Data Exchange (ETDEWEB)

In studying the absorption of carbon dioxide by absorbents impregnated with alkanol amines, researchers used a laboratory-scale packed column to determine the overall gas-phase mass-transfer coefficients and enhancement factors. A model derived for the mechanism of the chemical reaction taking place in the interfacial layer accounts for the effect of the reaction upon the absorption rate better than other models.

International Nuclear Information System (INIS)

The aim of the paper is brief description of the present state and main results of investigations on the direct energy conversion (EC). The following EC development directions are considered: thermoelectric EC, thermionic EC, thermophotovolt EC, magnetohydrodynamic-dynamic EC, nuclear-optical EC, plasma-chemical EC and electrochemical EC (hydrogen power engineering

Energy Technology Data Exchange (ETDEWEB)

Polyacrylonitrile films have been spin cast and pyrolyzed to produce thin (500--1500 A) carbon films. These films have higher electrical conductivities than films produced by other methods at similar temperatures. The conductivity can be varied by at least four orders of magnitude by changing the pyrolysis temperature. Ultraviolet, infrared, and Raman spectroscopies were used to investigate the chemical structure of the films during different stages of processing.

Energy Technology Data Exchange (ETDEWEB)

We have studied the nucleation and growth processes in a chemical vapor deposition (CVD) diamond film using a tomographic electron backscattering diffraction method (3D EBSD). The approach is based on the combination of a focused ion beam (FIB) unit for serial sectioning in conjunction with high-resolution EBSD. Individual diamond grains were investigated in 3-dimensions particularly with regard to the role of twinning.

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.).

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.).

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.

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.

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

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.

Science.gov (United States)

The (Al/sub x/Ga/sub 1-x/)/sub 0.5/In/sub 0.5/P material system, lattice matched to GaAs substrates, is useful for visible laser diodes. Here, low pressure organometallic vapor phase epitaxial growth of Ga/sub 0.5/In/sub 0.5/P and (Al/sub x/Ga/sub 1-x/)/sub 0.5/In/sub 0.5/P is examined. Epitaxial layers of bulk materials are characterized using photoluminescence, electroreflectance, Raman scattering spectroscopy, and surface morphology studies to determine lattice match and optimum growth conditions. Lattice matching at the growth temperature produces featureless growth surfaces, while lattice matching at room temperatures results in minimum photoluminescence linewidth but cracked surface due to tensile strain during growth. Raman scattering spectra of the quaternary reveal a three-mode structure, with spectral peaks due to GaP-like, in P-like, and AIP-like LO phonons. Additionally, (Al/sub x/Ga/sub 1-x/)/sub 0.5/In/sub 0.5/P/Ga/sub 0.5/In/sub 0.5/P heterostructures are ...

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.

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.).

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.

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.

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.

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.

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.

International Nuclear Information System (INIS)

Complete text of publication follows. According to the new European regulations (Restrictions of Hazardous Substance Directive), there is an emerging demand for environmental friendly metal treatments instead on formerly used chromate conversion coating technique. The aim of the present investigations was to characterise and compare silicon containing protective thin layers on roughened galvanized steel surfaces (with average roughness of 0.7 microns), using FTIR microscopy and imaging techniques. The silicon containing coatings were produced either by Chemical Vapour Deposition (CVD) or by wet chemical treatment using liquid silane. FTIR techniques offer new possibilities in the characterisations and chemical mapping of differently coated thin films, besides SEM+EDS, AFM, nanoindentation, XPS measurements (P. Nemeth et al., Materials Science Forum, 589 (2008) 433-438). All measurements were carried out ...

Energy Technology Data Exchange (ETDEWEB)

This paper summarizes an investigation carried out on Polish terrain occupied by Russian Federation military troops. The investigation identified natural environmental devastation, pollution, and contamination. Quantitative estimation of the devastation and its economic evaluation are provided. The results of the investigation are as follows: 406 ha have been contaminated by petrochemical products; 22.7 ha are chemically polluted; and 6,500 ha of underground water, as well as 17.5 ha of surface water, cannot be classified. On 15,300 ha the soil has been degraded, of which landfills comprise an area of 98 ha. No toxic warfare agents have been detected, nor any radioactivity levels exceeding those characteristic of the given region.

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.

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.

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.

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)

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.

British Library Electronic Table of Contents (United Kingdom)

Aerial deposition of Ni from a refinery in Port Colborne, Ontario, Canada has resulted in the enrichment of 29km2 of land with Ni concentrations exceeding the Canadian Ministry of the Environment's remedial action level of 200mgkg-1. Several studies on these soils have shown that making the soils calcareous was effective at reducing chemically extractable Ni, as well as alleviating Ni phytotoxicity symptoms in vegetable crops grown in the vicinity of the refinery. Conversely, dolomitic limestone additions resulted in increased uptake of Ni in the Ni hyperaccumulator Alyssum murale `Kotodesh', a plant whose use was proposed as a remediation strategy for this area. In this paper we use multiple techniques to directly assess the role soil type and lime treatments play in altering the speciati...

British Library Electronic Table of Contents (United Kingdom)

The investigation of strongly sintered ''quasi molten'' CuS and CuSe chalcogenides shows that they exhibit a sharp diamagnetic transition and a resistivity drop around 40 K. The reminiscence of such high temperature superconductivity features, never observed to date for these phases, is strongly supported by two chemical characteristics: bidimensionality of the structure and mixed valency of copper. The absence of zero resistance suggests that the internal chemical pressure in the samples has a key role in the existence of superconductivity: the S-S or Se-Se interlayer distances are very sensitive to the pressure, so that the critical distance for the percolation can be reached in the core of the samples, but not at the vicinity of the surface, where relaxation may appear.

Energy Technology Data Exchange (ETDEWEB)

In developing new brain imaging agents for single photon emission computed tomography (SPECT), we synthesized eleven radioiodinated phenoxyacetic acid derivatives and investigated the relationship between the chemical structure and in vivo characteristics. Biodistribution studies in mice revealed high initial brain uptake for all the compounds. Blood radioactivity level depended markedly upon the chemical stability of the compound. The alpha,alpha-dimethylester derivative, amide derivatives and diamine derivatives, which were stable to hydrolysis, showed low blood activity levels following intravenous administration. Disappearance of the ester and amide compounds from the brain was rapid. However, the diamine derivatives displayed improved retention in the brain. Compounds 3a and 4 possessed the best combination of high brain uptake and sufficient retention to be useful as potential brain imaging radiopharmaceuticals with ...

British Library Electronic Table of Contents (United Kingdom)

The effect of chemical pretreatments using NaOH, H2O2, and Ca(OH)2 on Empty Palm Fruit Bunches (EPFB) to degrade EPFB lignin before pyrolyis was investigated. Spectrophotometer analysis proved consecutive addition of NaOH and H2O2 decomposed almost 100% of EPFB lignin compared to 44% for the Ca(OH)2, H2O2 system while NaOH and Ca(OH)2 used exclusively could not alter lignin much. Next, the pretreated EPFB was catalytically pyrolyzed. Experimental results indicated the phenolic yields over Al-MCM-41 and HZSM-5 catalysts were 90wt% and 80wt%, respectively compared to 67wt% yield for the untreated sample under the same set of conditions. Meanwhile, the experiments with HY zeolite yielded 70wt% phenols.

International Nuclear Information System (INIS)

Modern radiometric analytics demands a complex consideration of nuclear and electron shell processes, if more pretentious aims are envisaged. As an example the small variation of decay rates of radionuclides presents possibilities for information on chemical situations of decaying atoms. In principle this phenomenon is well known since many years, but now the situation is such that, e.g. in /sup 99m/Tc internal conversion, a full agreement of the difficult experiments and the respective theory was established. The secondary emission of X-rays as a consequence of high excitation of electron shells in combination with nuclear transitions supplies another example for a methodical progress of radiometry. Investigations on "5"1Cr as an electron capture nuclide have shown that chemically induced variations of the K/sub #alpha#/ to K/sub #beta#/ X-ray intensity ratio is at least qualitatively understood. (author).

International Nuclear Information System (INIS)

This study serves to investigate the uptake of POPs in the different trophic levels (scrapers, collectors, predators, shredders) of macroinvertebrate communities sampled from a glacial and a non-glacial stream in the Italian Alps. The presented results show that the contaminant concentrations in glacial communities are generally higher compared to those from non-glacial catchments, highlighting the importance of glaciers as temporary sinks of atmospherically transported pollutants. Moreover, the data also suggests that in mountain systems snow plays an important role in influencing macroinvertebrate contamination. The main chemical uptake process to the macroinvertebrates is considered to be bioconcentration from water, as similar contaminant profiles were observed between the different trophic levels. The role of biomagnification/bioaccumulation is thought to be absent or negligible. The enrichment of chemicals observed in ...

International Nuclear Information System (INIS)

Metal-organic chemical vapor deposition (MOCVD) made layers of strontium-bismuth-tantalate (SBT) were characterized by spectroscopic ellipsometry (SE) using the Adachi model [S. Adachi, Phys. Rev. B 35 (1987) 7454-7463]. The evaluated optical parameters were correlated with the physical and chemical behavior examined by X-ray diffraction (XRD). As a result, it was possible to fit the measured spectra with the Adachi model in a wide range covering the region of the band gap. The Adachi model provides electronic layer parameters like the transition energy E 0 and broadening ?. Our investigations established a correlation between XRD-determined average grain size and the electronic layer parameters.

CERN Document Server

In order to reduce the activation temperature of the TiZrV alloy, thin films of various compositions were produced by three-cathode magnetron sputtering on stainless-steel substrates. For the characterisation of the activation behaviour the surface chemical composition has been monitored by Auger electron spectroscopy during specific in situ thermal cycles. The volume elemental composition of the film has been measured by energy dispersive X-ray spectroscopy and the morphology (crystal structure and size of the crystallites) has been investigated by X-ray diffraction. The criteria indicating the sample quality and its dependence on film structure and chemical composition are presented and discussed. (13 refs).

British Library Electronic Table of Contents (United Kingdom)

ABSTRACT New observations from the Hubble Ultra Deep Field suggest that the star formation rate at Formula Not Shown drops off faster than previously thought. Using a newly determined star formation rate for the normal mode of Population II/I (PopII/I) stars, including this new constraint, we compute the Thomson scattering optical depth and find a result that is marginally consistent with Wilkinson Microwave Anisotropy Probe 5 results. We also reconsider the role of Population III (PopIII) stars in light of cosmological and stellar evolution constraints. While this input may be needed for reionization, we show that it is essential in order to account for cosmic chemical evolution in the early universe. We investigate the consequences of PopIII stars on the local metallicity distribution fu...

British Library Electronic Table of Contents (United Kingdom)

High purity W and W-0.9La2O3 (wt.%) nanopowders were produced by a wet chemical route. The precursor was prepared by the reaction of ammonium paratungstate (APT) with lanthanum salt in aqueous solutions. High resolution electron microscopy investigations revealed that the tungstate particles were coated with oxide precipitates. The precursor powder was reduced to tungsten metal with dispersed lanthanum oxide. Powders were consolidated by spark plasma sintering (SPS) at 1300 and 1400degreeC to suppress grain growth during sintering. The final grain size relates to the SPS conditions, i.e. temperature and heating rate, regardless of the starting powder particle size. Scanning electron microscopy revealed that oxide phases were mainly accumulated at grain boundaries while the tungsten matrix ...

International Nuclear Information System (INIS)

Nuclear forensic science has become increasingly important for global nuclear security. However, many current laboratory analysis techniques are based on methods developed without the imperative for timely analysis that underlies the post-detonation forensics mission requirements. Current analysis of actinides, fission products, and fuel-specific materials requires time-consuming chemical separation coupled with nuclear counting or mass spectrometry. High-temperature gas-phase separations have been used in the past for the rapid separation of newly created elements/isotopes and as a basis for chemical classification of that element. We are assessing the utility of this method for rapid separation in the gas-phase to accelerate the separations of radioisotopes germane to post-detonation nuclear forensic investigations. The existing state of the art for thermo chromatographic separations, and its applicability to nuclear ...

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.

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 ...

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.

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 ...

CERN Document Server

Mutually unbiased bases for quantum degrees of freedom are central to all theoretical investigations and practical exploitations of complementary properties. Much is known about mutually unbiased bases, but there are also a fair number of important questions that have not been answered in full as yet. In particular, one can find maximal sets of ${N+1}$ mutually unbiased bases in Hilbert spaces of prime-power dimension ${N=p^\\m}$, with $p$ prime and $\\m$ a positive integer, and there is a continuum of mutually unbiased bases for a continuous degree of freedom, such as motion along a line. But not a single example of a maximal set is known if the dimension is another composite number ($N=6,10,12,...$). In this review, we present a unified approach in which the basis states are labeled by numbers ${0,1,2,...,N-1}$ that are both elements of a Galois field and ordinary integers. This dual nature permits a compact systematic construction of maximal ...

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

The following work deals with the realization, characterization and modeling of GaInP / AlGaInP high power semiconductor laser diodes in the visible wavelength range. In addition to the exploration and optimization of efficiency, temperature stability and maximum output power of multi-mode lasers especially methods for longitudinal and lateral mode stabilization of high power laser diodes have been investigated. Although often the focus of optimization is on the threshold current density, in this work the performance of the laser diode for an operation point around 1 Watt under continous wave operation is regarded as the figure of merit. It turns out that low carrier densities are key for an efficient reduction of the heterobarrier leakage currents. In addition, large optical cavity structures with low internal losses enable high external quantum efficiencies even for long cavities. Finally high laser effiency as well as an efficient cooling ...

International Nuclear Information System (INIS)

We present an approach for fabrication of intentionally positioned epitaxial InAs QDs in a micron sized light emitting diode. For site-selective growth, a combination of molecular beam epitaxy (MBE) and focused ion beam (FIB) implantation technology in an all-ultra-high-vacuum (UHV) setup has been employed. Single dot occupancy of almost 55 % on FIB patterned nano-depressions was successfully achieved. Thereafter, carrier injection and subsequent radiative recombination from the positioned InAs/GaAs self-assembled QDs was investigated by embedding these QDs in the intrinsic part of a GaAs-based micron sized p-i-n junction device. Few or single dot are expected to be electrically addressed in these devices. We report results from electroluminescence (EL) measurement which proves the single dot characteristics of our device. The EL spectra consist of sharp emission lines and their dependence on injection current shows linear behavior for exciton and quadratic ...

Energy Technology Data Exchange (ETDEWEB)

The University of Georgia, in collaboration with GE Global Research, has investigated the relevant quenching mechanism of phosphor coatings used in white light devices based on UV LEDs. The final goal of the project was the design and fabrication of a high-efficacy white light UV-LED device through improved geometry and optimized phosphor coatings. At the end of the research period, which was extended to seamlessly carry over the research to a follow-up program, we have demonstrated a two-fold improvement in the conversion efficiency of a white light LED device, where the increase efficacy is due to both improved phosphor quantum efficiency and lamp geometry. Working prototypes have been displayed at DOE sponsored meetings and during the final presentation at the DOE Headquarters in Washington, DC. During the first phase of the project, a fundamental understanding of quenching processes in UV-LEDs was obtained, and the relationships that ...

Energy Technology Data Exchange (ETDEWEB)

Fuel cells based on solid oxides ('SOFC') are excellent alternative devices for power generation, when they are operated at high temperature, e.g. above 600 C. Having only fixed parts for the power generating part of the device is only one advantage of the fuel cell. Due to their unique design, these devices offer a maximum of efficiency for energy conversion compared to conventional power generating systems, which are mainly based on turbines. One aim of this thesis is the examination of alternative electrolyte and cathode materials for the SOFC applications at reduced temperatures, which means in the temperature range between 600 C and 750 C. For the first main task, several materials from the oxygen ion conducting electrolytes were selected. Different strontium and magnesium doped lanthanum gallate (LSGM) materials with additional transition metal doping were selected and prepared via two different preparation methods. The optimum calcining conditions were ...

Energy Technology Data Exchange (ETDEWEB)

Developing markets in the Pacific Basin depend heavily on the production and export of consumer goods. The generation of hazardous waste as a by-product of industrial production can be linked to adverse health outcomes, such as childhood leukemia, in ways that are presently unknown. In California, exposures resulting from hazardous waste disposal are of concern in the etiology of childhood cancer. Approximately 63% of the 57 hazardous waste sites that the U.S. Environmental Protection Agency (USEPA) included in the national priority list under the Comprehensive Environmental Response, Compensation and Liability Act (CERCLA) statute were in the six-county San Francisco Bay area. This area includes California`s Silicon Valley, where a disproportionate majority of these sites are located. Although only one study links hazardous waste disposal to childhood leukemia evidence is accumulating that in utero and maternal pesticide exposures as well as chemical exposures ...

Science.gov (United States)

Near-ideal Schottky barrier contacts to n-type Al0.22Ga0.78N have been developed by a two-step surface treatment technique. Plasma etching of the AlxGa1-xN surface prior to Schottky metal deposition, combined with sequential chemical treatment of the etched surface, holds promise for developing high quality low-leakage Schottky contacts for low noise applications and for recessed gate high electron mobility transistors. In this work, the effect of postetch chemical treatment of the n-type Al0.22Ga0.78N surface on the performance of the Ni/Au based Schottky contact has been investigated. Three different types of chemical treatment: viz, reactive ion etching, reactive ion etching plus dipping in hot aqua regia, and reactive ion etching plus dipping in hot KOH, are studied. Detailed current-voltage studies of three different surface treated diodes and a comparison with as-deposited diodes reveal ...

Energy Technology Data Exchange (ETDEWEB)

Chemical-looping combustion is a promising technology for the combustion of gas or solid fuel with efficient use of energy and inherent separation of CO{sub 2}. Chemical-looping combustion of methane with calcium sulfate as a novel oxygen carrier was conducted in a laboratory scale fixed bed reactor. The effects of reaction temperature, gas flow rate, sample mass, and particle size on reduction reactions were investigated and an optimum operating condition was determined. The results show that this novel oxygen carrier has a high reduction reactivity and stability in a long-time reduction/oxidation test. The conversions of CH{sub 4} increased with a higher temperature, smaller gas flow rate, larger sample mass and smaller particle size. The suitable reaction temperature seems to be around 950 deg. C. Low temperatures lead to a low CH{sub 4} conversion, but a significant SO{sub 2} formation was observed at a higher ...

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 ...

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 ...

International Science & Technology Center (ISTC)

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

Energy Technology Data Exchange (ETDEWEB)

A couple of domestic institutions have been investigating the application of vitrification technology to treat low- and intermediate-level radioactive wastes in Korea. In the case that such investigations prove to be successful, it is expected that commercial vitrification plants will be constructed. The safety insuring on vitrification plants could not be compatible with criterion on radioactive waste management because the facilities are at high temperature and contain a variety of accommodations for the exhaust gases and residual products. Therefore, it is necessary to suggest a new strategy or modifications of criterion of radioactive waste management on considerations related with the vitrification technology. In order to ensure the safety of vitrification plants, a technical guideline or standard for design and operation of vitrification plants must be established too. A study on the safety assessment of vitrification plants in ...

Energy Technology Data Exchange (ETDEWEB)

Lectin is a generic name of sugar binding protein in living organisms. With an objective to clarify physiological functions of lectin in marine invertebrates and utilize it as a useful material in the bio-chemical industry, studies were carried out on the chemical structure, distribution in living organisms and structural changes of lectin. Lectin is involved with such physiological actions as immunity reactions, generation and differentiation, Ca fixation and symbiosis. Lectin is one of the main components of lymph fluid in shellfish and crustacean, and is a multi-functional polymer that is related with foreign substance recognition, Ca transport, and shell formation. Lectin of a certain kind shows strong actions to accelerate cell division. Organs and cells were cultivated for lectin producing organs and lectin producing cells to verify the production thereof. Elucidation was attempted in a molecular level on such physiological functions as ...

International Nuclear Information System (INIS)

68 replaced carbon steel piping in secondary system of pressurized water reactor (PWR) has been investigated by visual examination for checking thinning conditions. It is well known that the flow-accelerated corrosion (FAC) was inhibited by traces of Cr in steel. Therefore, the chemical compositions of those steels have been measured. In addition, the micro structure and hardness of those steels have been investigated. And the relationship between those material variables and FAC rate was considered. As the results, (1) The Cr contents in those steels were below 0.1 wt% except one sample. Minute quantities of chromium increase the resistance against FAC. But the water velocity was thought to be the dominant factor rather than chemical composition in steel, at least such as below 0.1%Cr. (2) Hardness of all piping has been satisfied the specifications of each materials. The hardness of steels was not ...

Energy Technology Data Exchange (ETDEWEB)

Monitoring brine chemistry to determine the extent of potential adverse reactions was simplified by the development of a field brine test kit and a series of nomographs. Results of the kit analyses serve as input to the nomographs, which provide a graphic means of determining the scaling tendency (Saturation Index value) of a brine. Brines that do not tend to form scale may be corrosive. Saturation Index values have been correlated with various processes using data from geopressured wells in the Gulf Coast area. Control of scale in surface equipment of geopressured wells by chemical inhibitors has been successful. Downhole treatment with inhibitors to prevent scale formation in the production tubing is being investigated. Laboratory simulations indicate that an inhibitor squeeze treatment may be successful at the Gladys McCall No. 1 well. Inhibitor mixtures exhibit additive behavior at minimum concentration levels; however, behavior at maximum ...

International Nuclear Information System (INIS)

HgTe rod-shape composed of crystalline particles has been prepared by a hydrothermal method, and characterized by means of X-ray powder diffraction (XRD), scanning electron microscopy (SEM), and transition electron microscopy (TEM). The effects of capping agents, reductants, reaction temperatures, and reaction times on crystal structures and shapes of HgTe have been investigated. The results showed that the CTAB as capping agent plays a crucial role in the hydrothermal process. The synthesis procedure is simple and uses less toxic reagents than the previously reported methods.

International Nuclear Information System (INIS)

Using the slow electrons spectrometer one can get information on the surface structure, its element composition, chemical bonds, adsorption phenomena, electron state density and surface oscillation. We have developed the methods and created the apparatus that makes it possible to investigate the electron backscattering by solid surface. We have studied the electron scattering by the polycrystalline and monocrystalline. GaAs surface in the energy range of 0 to 9 eV. The FWHM of electron energy distribution function was 70 meV. (author).

Energy Technology Data Exchange (ETDEWEB)

An experiment has been performed to investigate the chemical reaction between the liquid phases of the eutectic lithium-lead (Li/sub 17/Pb/sub 83/) and water. The reactants and products were constrained within a closed reaction vessel, allowing the extent of reaction to be determined from the partial pressure of the hydrogen reaction product. The data from the tests showed that the extent of reaction did not depend upon the water temperature. The data also indicated that the extent of reaction passed through a maximum as the initial liquid metal temperature was varied from 350 to 500 C, and a model was developed to explain this behavior. 11 refs., 3 figs.

Energy Technology Data Exchange (ETDEWEB)

Oxyanions of uranium, selenium, chromium, arsenic, technetium, and chlorine (as perchlorate) are frequently found as contaminants on many DOE sites, and in other areas of the U.S.. A potential remediation method is to react the contaminated water with zero-valent iron (ZVI). We are performing fundamental investigations of the interactions of the relevant compounds with Fe filings and single- and poly-crystalline surfaces. The aim of this work is to develop the physical and chemical understanding that is necessary for the development of cleanup techniques and procedures.

Energy Technology Data Exchange (ETDEWEB)

An experimental verification for long-term performance of a Pd-Ag permeation in ITER tritium fusion cleanup units (FCU) is needed. In addition, information is required on the influence of tritium and {sup 3}He decay on the physical and chemical properties of Pd-Ag alloys (V-1). The results of the investigations of alloys (V-1) (mechanical properties and microstructure) after long-term usage exposition in tritium are given in this report. The experimental conditions (temperature, pressure, clearance, {sup 3}He concentrations) and the previous conclusions on the V-1 alloy performance are presented. (orig.).

Energy Technology Data Exchange (ETDEWEB)

A chromium-free conversion coating for magnesium alloys were described. The conversion coating could be obtained when AZ31D magnesium alloy was immersed in a solution containing a manganese salt, phosphate and an inhibitor. Corrosion resistance of the chemical conversion coating was evaluated by anodizing polarization curve and salt immersion. XRD analysis showed that the conversion coating was mainly composed of Mn{sub 3}(PO{sub 4}){sub 2}. The morphology of the coating is observed by using SEM. The effect of electrolyte pH and concentration of inhibitor on coating growth are investigated. (orig.)

International Nuclear Information System (INIS)

An investigation of the intensity of electromagnetic radiation at a wavelength of 185nm emitted by a General Electric mercury discharge, germicidal lamp is described. From the measurement of the transmission of light as a function of wavelength from 185nm to 360nm, it was concluded that this type of germicidal lamp does not produce any biological or chemical effects through the 185nm line; the intensity of the 185nm line transmitted by the lamp was less than 0.1% of that for the 254nm line. Consequently, there was no discernable ozone production. (U.K.).

Energy Technology Data Exchange (ETDEWEB)

Results are presented from a numerical model of the steady-state energy transfer in molten-salt-in-tube solar cavity receivers that includes convective energy transfer at a local (spatially resolved) level. Molten salt energy absorption and gray radiative transfer between all cavity surfaces are also included. This model is applied to the Molten Salt Subsystem Component Test Experiment (MSS/CTE) cavity receiver. Results for this receiver indicate the global (entire cavity) receiver thermal efficiency is invariant within a few percent to most parameters investigated, although front surface temperatures of the nonabsorbing walls vary considerably, and are particularly sensitive to the type of convective submodel used. Absorption efficiencies indicate the effects of the cavity enclosure environment. For all conditions investigated, tube inner wall temperatures remain under 855 K, ensuring that the salt remains chemically ...

Energy Technology Data Exchange (ETDEWEB)

This executive summary presents an overview of the investigations, findings, conclusions, and recommendations of the Long Island Regional Planning Board (LIRPB) study of the Potential for Beneficial Use of Waste-to-Energy Facility Ash. The full report consists of the following volumes: Executive Summary; Volume 1: Long Island Ash Management Status; Volume 2: Sampling and Testing Procedures; Volume 3: Environmental Properties; Volume 4: Engineering Properties; Volume 5: Environmental Assessment; Volume 6: Engineering and Economic Evaluation; and Volume 7: Legal and Institutional Issues. Volumes one through seven are briefly summarized in this executive summary with the exception of Volume 2 of the report, which serves as the documentation of the sampling conditions and testing methods used in measuring chemical and physical properties of the ash tested. The study investigated the feasibility of the use of incinerator ash as ...

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.

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.

British Library Electronic Table of Contents (United Kingdom)

An important aspect of ecosystem sustainability is the ability to withstand and recover from disturbance or stress. In this study, we investigated the effect of a heat-disturbance on soil microbial biomass, microbial activity in response to the addition of organic acid (malate), and microbial community structure in a laboratory experiment. The soils investigated were from a jarrah (Eucalyptus marginata) forest that had undergone rehabilitation following bauxite mining 12 years previously. Soils from a full factorial of two field treatments; contour ripping induced micro-topography (mound or furrow) and prior exposure to prescription fire (burnt or non-burnt), were sampled and found to exhibit treatment-dependent differences in soil biological and chemical properties. Exposure of soil micro...