CERN Document Server

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

Energy Technology Data Exchange (ETDEWEB)

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

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.

Energy Technology Data Exchange (ETDEWEB)

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

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.).

UK PubMed Central (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

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

Science.gov (United States)

No abstract prepared.

Science.gov (United States)

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

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.

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 ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Water chemistry of nuclear power plants has played an important role in reduction of personnel doses, structural materials and fuel integrity assurance, and reduction of radioactive wastes production. Further contributions are requested for advanced utilization of the LWR, advanced fuels and aging management of plants. Since water chemistry has an effect on all structure and materials immersed and at the same time affected by them, the optimum control not sticking to specific issues and covering the whole plant is required for these requests. Taking account of roles and activities of the industry, governmental institutes and academia, road maps on research and development plans for water chemistry were compiled into identified eleven items with targets and counter measures taken, such as common basic technologies, dose reduction, SCC mitigation, fuel cans corrosion/hydrogen absorption mitigation, condition ...

Science.gov (United States)

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

British Library Electronic Table of Contents (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

A test methodology for measuring temperature, impedance, pH, and electrochemical potential distributions within a sludge-packed tube support plate crevice in a laboratory test is described. The method successfully showed that there were large concentration gradients between the tube and tube support plate sides of the crevice. The testing also showed that strong bases concentrated more effectively than strong acids, and that the crevice pH, when exposed to seawater-based solutions, increased with increasing superheat and decreasing bulk concentration. The large variations in the crevice chemistry observed under heat transfer were eliminated upon shutdown. These new test data suggest that it might be beneficial to evaluate the variation in the extent of stress corrosion cracking with tube support plate elevation found in some steam generators in light of local chemistry changes, as well as the variation ...

Energy Technology Data Exchange (ETDEWEB)

Research programs on coal liquefaction are presented. Major topics include: coprocessing, two-stage liquefaction, low severity liquefaction, coal/catalyst and liquefaction chemistry. Individual projects are processed separately for the data bases. (CBS)

International Nuclear Information System (INIS)

A comprehensive review was conducted of primary helium coolant chemistry data, based on current and past operating histories of helium-cooled, high-temperature reactors (HTGRs), including the Fort St. Vrain (FSV) HTGR. A reference observed FSV reactor coolant environment was identified. Further, a slightly drier expected FSV coolant chemistry was predicted for reactor operation at 100% of full power. The expected environment was compared with helium test environments used in the US, United Kingdom, Germany, France, and Japan. Based on a comprehensive review and analysis of mechanical property data reported for Alloy 800 tested in controlled-impurity helium environments (and in air when appropriate for comparison), an assessment was made of the effect of FSV expected helium chemistry on material properties of alloy 800, with emphasis on design properties of the Alloy 800 material ...

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared

International Nuclear Information System (INIS)

The concept of nanocrystal conversion chemistry, which involves the use of pre-formed nanoparticles as templates for chemical transformation into derivative solids, has emerged as a powerful approach for designing the synthesis of complex nanocrystalline solids. The general strategy exploits established synthetic capabilities in simple nanocrystal systems and uses these nanocrystals as templates that help to define the composition, crystal structure, and morphology of product nanocrystals. This article highlights key examples of 'conversion chemistry' approaches to the synthesis of nanocrystalline solids using a variety of techniques, including galvanic replacement, diffusion, oxidation, and ion exchange. The discussion is organized according to classes of solids, highlighting the diverse target systems that are accessible using similar chemical concepts: metals, oxides, chalcogenides, phosphides, alloys, intermetallic compounds, sulfides, and ...

DEFF Research Database (Denmark)

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

CERN Document Server

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

CERN Document Server

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

British Library Electronic Table of Contents (United Kingdom)

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

CERN Document Server

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

CERN Document Server

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

International Nuclear Information System (INIS)

We present the results of a comprehensive study of the temperature dependences of the quantum efficiency for ultraviolet detectors based on GaAs, GaP and 4H--SiC Schottky structures, and on Si, GaAs p-n structures. For ultraviolet detectors based on Schottky structures, the quantum efficiency increases with increasing temperature for all photon energies, even including the semiconductor intrinsic absorption region. On the other hand, for ultraviolet detectors based on p-n structures, the quantum efficiency is practically temperature independent in the semiconductor intrinsic absorption region. The change in the quantum efficiency for the GaAs and Si detectors is less than 0.01% per degree. To explain the measurements, a variable trap occupancy model is presented. Subsurface imperfections of the semiconductor cause fluctuations in the profile ...

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 ...

International Nuclear Information System (INIS)

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

Science.gov (United States)

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

British Library Electronic Table of Contents (United Kingdom)

The Pacific white shrimp, Litopenaeus vannamei, is the most important shrimp species in volume in world aquaculture. However, in recent decades, outbreaks of diseases, especially viral diseases, have led to significant economic losses, threatening the sustainability of shrimp farming worldwide. In 2004, Brazilian shrimp farming was seriously affected by a new disease caused by the Infectious myonecrosis virus (IMNV). Thus, disease control based on rapid and sensitive pathogen detection methods has become a priority. In this study, a specific quantitation method for IMNV was developed using real-time PCR with SYBR Green chemistry and viral load of the principal target tissues of chronically infected animals was quantified. The quantitative analysis revealed that mean viral load ranged from ...

International Nuclear Information System (INIS)

Composite materials of synthetics (based on monomers, oligomers and thermoplastics) and of natural polymers (wood and other fibrous cellulosics) prepared by radiation processing, offer valuable structural materials with enhanced coupling forces between the components. The applied polymer chemistry of such composites shows several common features with that of radiation grafting, e.g. the polymerization rate of oligomer-monomer mixtures in wood remains in most cases proportional to the square-root of the initiating dose-rate, just as in the simultaneous grafting, demonstrating that the chain termination kinetics remain regularly bimolecular in the corresponding dose-rate ranges. In the processing experiences of such composites, low dose requirement, easy process-control, and good technical feasibility have been found for composites of wood with oligomer-monomer mixtures, for coconut fibres with unsaturated polyesters and for pretreated wood fibre ...

Energy Technology Data Exchange (ETDEWEB)

The use of cement based systems for solidification and stabilization of hazardous wastes has been proposed. The stabilization of Cr contaminated paint removal wastes in ordinary Portland cement and in a Portland cement and blast furnace slag matrix was investigated. A loading by volume of 75% waste and 25% cement (or cement + slag) was used. The expression of pore solution was utilized to determine the chemical environment encountered by the waste species in the cement matrix. The highly alkaline conditions of ordinary Portland cement determined the stability of the metal species, with Cr being highly soluble. The replacement of 25% of the Portland cement by blast furnace slag was found to decrease the [OH-] of the pore solution resulting in a decrease of the Cr concentration. For cement wastes forms hydrated for 28 days, the Cr concentration decreased in the expressed pore solution. During the TCLP tests the cement waste form and extraction solution were found to ...

International Nuclear Information System (INIS)

Several types of corrosion have damaged alloy 600 tubing in the secondary side of steam generators. The types of corrosion include wastage, denting, intergranular attack, stress corrosion, erosion-corrosion, etc. The environments which cause attack may originate from leaks of cooling water into the condensate, etc. When the contaminated feedwater is pumped into the generator, the impurities may concentrate first 200 to 400 fold in the bulk water, depending on the blowdown, and then further to saturation and dryness in heated tube support plate crevices. Characterization of local solution chemistries is the first step to predict and correct the type of corrosion that can occur. The pH is of particular importance because it is a major factor governing the rate of corrosion reactions. The pH of a solution at high temperature is not the same as the ambient temperature, since ionic dissociation constants, solubility and solubility products, activity coefficients, etc., ...

International Nuclear Information System (INIS)

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

Science.gov (United States)

Not Available

International Nuclear Information System (INIS)

... 30-31 Oct 2009 Tajik National University(Tajikistan) 146 p. INORGANIC,

Energy Technology Data Exchange (ETDEWEB)

We study by means of Quantum Monte Carlo simulations based on the Worm Algorithm the low temperature (down to T = 0.05 K) properties of parahydrogen clusters comprising up to 40 molecules. Three different intermolecular interactions are employed: the Silvera-Goldman, the Buck and the Lennard-Jones potential. Despite important discrepancies observed in the numerical estimates of energy and superfluid fraction, the mechanism by which clusters melt at low T is independent of the particular choice of the potential, whose only effect is to alter the temperature scale.

International Nuclear Information System (INIS)

Thirty years ago, in 1967, the new definition of the second based on a quantum phenomenon, the hyperfine splitting of the groundstate of the "1"3"3Cs atom, was passed by the 13th General Conference on Weight and Measure. What followed was a fascinating improvement of the performance of caesium clocks which is still pursued. Their total uncertainty could be reduced, until 1995, by 4 orders of magnitude. With the development of the so-called fountain clocks, another factor of ten is within reach. (orig.)

Energy Technology Data Exchange (ETDEWEB)

Based on the IAPWS technical guidance on ''Instrumentation for Monitoring and Control of Cycle Chemistry for Steam-Water Circuits of Fossil-Fired and Combined Cycle Power Plants,'' the latest situation regarding instrumentation for nuclear power plants is discussed. As a result of the discussion, it is concluded that: (1) Reliable and safe operation of plants is established by the application of suitable chemical conditions in plant cooling systems, which should be supported by the selection of suitable control targets for monitoring and by the application of reliable instruments. (2) The minimum level of key instrumentation consists of on-line as well as off-line instruments for monitoring the key parameters: - on-line: pH, conductivity, cation conductivity, O{sub 2} and H{sub 2} concentrations, electrochemical corrosion potential; - off-line: radioactive nuclides ({sup 60}Co, {sup 58}Co, {sup 131}I, etc.), ...

International Nuclear Information System (INIS)

We consider a SQUID ring inductively coupled to an electromagnetic field mode, both treated quantum mechanically. We demonstrate a method for creating a maximally entangled state between the ring and the field mode. Our method utilises a non-adiabatic external magnetic flux pulse to move into and out of a transition region. Hence, our approach is fundamentally different to techniques based on Landau-Zener tunnelling that can also be used to achieve similar results. Our analysis is extended to include the effects of coupling the system to a dissipative environment. With this model we show that although such an environment makes a noticeable difference to the time evolution of the system, it need not destroy the entanglement of this coupled system over time scales required for quantum technologies.

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 ...

Science.gov (United States)

Based on the idea of dense coding of three-photon entangled state and qubit transmission in blocks, we present a multiparty controlled quantum secret direct communication scheme by using Greenberger Horne Zeilinger state. In the present scheme, the sender transmits three bits of secret message to the receiver directly and the secret message can only be recovered by the receiver under the permission of all the controllers. All three-photon entangled states are used to transmit the secret message except those chosen for eavesdropping check and the present scheme has a high source capacity because Greenberger Horne Zeilinger state forms a large Hilbert space.

Energy Technology Data Exchange (ETDEWEB)

Focussed ion beam (FIB) processing has been applied to the fabrication of novel InP-based cleaved coupled cavity (CCC) quantum cascade lasers (QCL). Gas assisted etching using XeF{sub 2} has been shown to significantly reduce the redeposition of sputtered material onto the mirror surfaces during final milling. For the unprocessed laser a broad spread of lasing peaks are observed between 9.72{mu}m to 9.78{mu}m at a current of 380mA (1kA/cm{sup -2}). After FIB processing, substantial side mode suppression is observed on applying a current of 20mA (100A/cm{sup -2}) to the short section and the main lasing peak is observed at 9.77{mu}m.

CERN Document Server

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

Energy Technology Data Exchange (ETDEWEB)

Metals for potential use in the dissociator and the synthesizer reactors of a distributed solar receiver thermochemical transport loop utilizing SO/sub 3//SO/sub 2//O/sub 2/ molecular chemistry were tested in SO/sub 2//O/sub 2/ mixtures at 500/sup 0/C and 900/sup 0/C, respectively, for times of up to four weeks. They included titanium, aluminum and nickel, and iron-base, nickel-base and cobalt-base superalloys. Weight gain measurements determine the oxidation/sulfidation kinetics. Electron microprobe analysis identifies any possible penetration of oxygen and sulfur into the metal and the formation of internal oxides and sulfides. The most promising candidates as a result of these tests are the cobalt-base superalloys.

British Library Electronic Table of Contents (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

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.

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.

International Nuclear Information System (INIS)

Solid solution-strengthened nickel base alloys have been used for nuclear stream generator tubing in pressurized water reactors since the beginnings of commercial nuclear power. The purpose of this paper is to recap and update the authors understanding of the relationship between processing, resulting structure, and properties for Alloy 600 and to discuss the requirements for optimized performance in both primary and secondary environments. Potential replacement materials and their performance will be discussed. Also discussed is the role and importance of system chemistry, bulk and local, and control and its relationship to performance. A discussion of potential mechanisms of environmentally assisted failure is also discussed.

British Library Electronic Table of Contents (United Kingdom)

Metalloid cluster compounds of group 14 of the general formulae EnRm with n > m (E = Si, Ge, Sn, Pb; R = ligand), where naked as well as ligand bound tetrel atoms are present, represent a novel class of cluster compounds in group 14 chemistry and can be seen as intermediates on the way to the elemental state. Therefore, interesting properties are expected for these compounds, which might complement results from nanotechnology. In this article, first results for germanium are discussed, together with novel build-up reactions on the way to novel materials based on metalloid cluster compounds. GRAPHICAL ABSTRACT[image omitted

Energy Technology Data Exchange (ETDEWEB)

Irradiation-assisted stress corrosion cracking (IASCC) of several types of BWR field components fabricated from solution-annealed austenitic stainless steels (SSs), including a core internal weld, were investigated by means of slow-strain-rate test (SSRT), scanning electron microscopy (SEM), Auger electron spectroscopy (AES), and field-emission-gun advanced analytical electron microscopy (FEG-AAEM). Based on the results of the tests and analyses, separate effects of neutron fluence, tensile properties, alloying elements and major impurities identified in the American Society for Testing and Materials (ASTM) specifications, minor impurities, water chemistry, and fabrication-related variables were determined. The results indicate strongly that minor impurities not specified by the ASTM-specifications play important roles, probably through a complex synergism with grain-boundary Cr depletion. These impurities, typically associated with steelmaking ...

CERN Document Server

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

International Nuclear Information System (INIS)

In the heat exchangers of power plants, scale deposition may occur, especially at the leading edge of contraction. The growth of scale can lead to an increase in pressure and cause oscillation of the water level. In our previous study, the dependence of flow on contraction geometry was analyzed numerically and empirically. It was shown that the contraction ratio of hydraulic diameter of the flow path contributed greatly to the difference in pressure drop and turbulent kinetic energy at the leading edge of the flow path. In this study, the effect of contraction geometry and flow rate on scale adhesion was studied in AVT chemistry at 270degC using a high-velocity scale-adhesion test loop. The differential pressure and the amount of scale deposited due to scale adhesion at the leading edge of the flow path increased more in a quatrefoil-type flow path than in drill-type flow path. The differential pressure and the amount of scale deposited also increased with ...

Science.gov (United States)

Any student that has spent time in the kitchen knows that hot vegetable oil will pop and spatter violently after coming into contact with water such as that on the surface of foods (meat, fish, potatoes, etc.). This well-known effect can be used as an instructional resource to promote cooperative, active, and inquiry-based learning about central concepts of chemistry including boiling point, miscibility, and density of liquids. The starting point of the learning activity is a demonstration of (i) the effect of adding a drop of water to hot (as for cooking) vegetable oil and (ii) the effect of adding a drop of vegetable oil to hot water (near its boiling point). Intermolecular interactions, properties of vegetable oils, and a variety of other topics, such as the importance of other heat points (smoke, flash, and fire) for oils, the fundamental of the crackle test for checking the presence of water in oil, and why an oil fire (for example in a ...

Energy Technology Data Exchange (ETDEWEB)

Aerospace gas turbine disks operate in an environment of relatively high stresses caused by centrifugal forces and elevated temperatures. These severe conditions necessitate the need for materials with high temperature strength and good low cycle fatigue resistance. One class of alloys used for this task is the nickel base superalloys, out of which, IN 718 is the most widely used in the aerospace industry. The properties of IN 718 are attributed to the combined effects of the chemistry, heat treatment, and microstructure. The chemistry is tailored not only for solid solution strengthening but also for precipitation hardening developed during heat treatment, which combined with a fine grained microstructure lead to excellent mechanical properties such as low cycle fatigue resistance and elevated temperature strength. The properties of a gas turbine disk are sensitive to the microstructure, in particular the grain size, which ...

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Lubricant additives have been known to affect rolling element bearing surface durability for many years. Tapered roller bearings were used in fatigue testing of lubricants formulated with gear oil type additive systems. These systems have sulfur- and phosphoruscontaining compounds used for gear protection as well as bearing lubrication. Several variations of a commercially available base additive formulation were tested having modified sulfur components. The variations represent a range of ''active'' extreme pressure (EP) chemistries. The bearing fatigue test results were compared with respect to EP formulation and test conditions. Inner ring near-surface material in selected test bearings was evaluated on two scales: the micrometer scale using optical metallography and the nanometer scale using transmission electron microscopy (TEM). Focused-ion beam (FIB) techniques were used for TEM specimen preparation. ...

British Library Electronic Table of Contents (United Kingdom)

Miscanthus is a potential feedstock for the production of biofuels. Lignocellulosic biomass is not soluble in conventional solvents, but Miscanthus and other lignocellulosic biomass have reasonable solubilities in some ionic liquids. The solubility of Miscanthus in a variety of hydrophilic ionic liquids was measured as a function of particle size, temperature and time for dissolution. In addition to temperature and time, the ionic liquid anion has a significant effect on solubility and rate of dissolution. The moisture content of Miscanthus lowers its solubility in certain ionic liquids. Chloride, acetate, and phosphate-based ionic liquids favor solubility. A tentative correlation for the solubility of Miscanthus is proposed in terms of Abraham solvation parameters obtained from quantum-ch...

British Library Electronic Table of Contents (United Kingdom)

Polymeric waste materials should be considered resources for the manufacture of new products through recycling processes, with a similar status to virgin fossil-based plastics and biopolymers from renewable resources. Several efforts can be made to achieve this qualitative quantum leap in plastics recycling, and consequently introduce recycled products, with competitive performance, to the market. Scientific knowledge about the degradation processes during the life cycle and the development of fast and reliable analytical methods for the quality assessment of recycled plastics are fundamental to guarantee their performance in new applications. Different strategies-restabilisation, rebuilding, compatibilisation, and addition of elastomers and fillers-can be used to upgrade the structure and...

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

CERN Document Server

Based on the exact results obtained by Bethe ansatz, we demonstrate the existence of stable bound pair (BP) wave packet in Bose Hubbard model with arbitrary on-site interaction U. In large-U regime, it is found that an incoming single-particle (SP) can coherently pass through a BP wave packet and leave a coherent shift in the position of it. This suggests a simple scheme for constructing a BP charge qubit to realize a quantum switch, which is capable of controlling the coherent transport of one and only one photon in a one-dimensional waveguide.

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A simple model based on surface chemistry is developed, based an simple concepts of contact angle, wetting and spreading. Results of the modeling can be stated by two simplified rules of thumb'': (1) A liquid will spread on the surface of a solid if the surface tension of the liquid is lose than the surface free energy of the solid, and (2) The liquid having the surface tension nearest that of the solid will preferentially wet the surface of the solid. These two rules can then be used to define the parameters that constitute a process for formulating a plastic bonded explosive (PBX), which is a crystalline high-explosive material coated with a small amount of plastic polymeric material (the binder). The PBX then can be pressed to a high density, and machined to a specific shape. The pressed and machined explosive material can then be used in a physics experiment to study fundamental properties of either ...

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The objective of this project was to develop new photocatalytic or other innovative process chemistry for the treatment of pink water and related contaminated water.

International Nuclear Information System (INIS)

The research committee of the Atomic Energy Society of Japan on water chemistry standard aims at establishing the private standard of water chemistry of nuclear power plants. The committee gathers up 'BWR water chemistry management manual', 'PWR primary system water chemistry management manual' and 'PWR water chemical analysis standard method', and furthermore aims at the standardization of those in future. Looking back on the committee's activities for the past four years, latest results of research of water chemistry mainly contributing to safe and reliable nuclear power plants were described with the future perspective of water chemistry and a demanded break-through. (T.T.)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

One set of hypotheses offered to explain the decline of red spruce (Picea rubens Sarg.) in eastern North America focuses on the effect of acidic deposition on soil chemistry changes that may affect nutrient availability and root function. Long-term soils data suggests that soil acidification has occurred in some spruce stands over the past 50 yr, with plant uptake and cation leaching both contributing to the loss of cations. Studies of tree ring chemistry also have indicated changes in Ca/Al and Mg/Al ratios in red spruce wood, suggesting increases in the ionic strength of soil solution. Irrigation studies using strong acid inputs have demonstrated accelerated displacement of base cations from upper horizons. Spruce-fir (Abies spp.) nutrient budgets indicate that current net Ca and Mg leaching loss rates are of the same order of magnitude as losses to whole tree harvest removals, spread out over a 50-yr rotation. For most ...

British Library Electronic Table of Contents (United Kingdom)

Properties of photoconductive ultraviolet detectors fabricated on ZnO films were presented. Highly c-axis oriented ZnO films were grown on glass substrates by pulsed laser deposition. Ultraviolet photodetectors were fabricated based on metal-semiconductor-metal planar structures. The photoresponsivity and the quantum efficiency are much higher in the ultraviolet range than in the visible range, and the peak values are around 360nm. Photocurrent transients show that the detector has a large photocurrent with the peak value of 2.8mA, and a slow photoresponse with a rise time of 5min and a decay time of 7min. The response curve of the detector is fitted well with exponential curve. The large photocurrent should result from the both effects of the accumulation of conduction electrons and the d...

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Samples from three mine tailings, the Hemlo Mine (located in Northern Ontario), the Louvicourt Mine, and the Laronde Mine (both located in Northwestern Quebec) and four different types of hydraulic binder in three different proportions (3, 4.5, 6 per cent of total dry weight of tailings) were used to prepare 33 recipes for cement caulk. The sulphur content of the three tailings is, respectively, 5 per cent, 16 per cent, and 32 per cent. Three of the four hydraulic binders are in fact a mix of two cement types: binder based on Portland cement (CP), binder based on fly ash (FA), and binder based on dross (CL). The fourth binder is based mainly on dross. The coupons of caulk dykes were flushed at 14, 28, 56, and 91 days in a humid chamber. At each of these steps, the samples were characterized for chemical, geochemical, physical, microstructural, and mechanical attributes to better understand the ...

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

We theoretically model a nuclear-state preparation scheme that increases the coherence time of a two-spin qubit in a double quantum dot. The two-electron system is tuned repeatedly across a singlet-triplet level-anticrossing with alternating slow and rapid sweeps of an external bias voltage. Using a Landau-Zener-Stueckelberg model, we find that in addition to a small nuclear polarization that weakly affects the electron spin coherence, the slow sweeps are only partially adiabatic and lead to a weak nuclear spin measurement and a nuclear-state narrowing which prolongs the electron spin coherence. This resolves some open problems brought up by a recent experiment. We also show that the electronic two-spin states singlet and triplet T_+ are promising candidates for the implementation of a qubit in GaAs double quantum dots (DQD). A coherent superposition of the two-spin states is obtained by finite time Landau-Zener-Stueckelberg interferometry and ...

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

Science.gov (United States)

PMID:21956869

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

KoreaScience (Korea)

Full Text Available

International Nuclear Information System (INIS)

... 1343-3563 v. 57(1) SPECIFIC NUCLEAR REACTORS AND ASSOCIATED

Energy Technology Data Exchange (ETDEWEB)

EPRI research related to coal liquefaction has concentrated on the chemistry of the processes. Recent work is reviewed.

Energy Technology Data Exchange (ETDEWEB)

Short communication.

Medline Plus

... related to changes in the anatomy, physiology, and chemistry of the nervous system. When the brain cannot ...

Energy Technology Data Exchange (ETDEWEB)

A model is described for simulating thermal hydraulic and chemical conditions within fuel crud deposits. Heat transfer takes place by wick boiling in which water flows through the porous deposit and evaporates into steam at the surface of chimneys. The transport and chemistry of dissolved species within the deposit is also modelled. This chemistry includes the equilibrium chemistry of Li/boric acid species, the equilibrium chemistry of Fe/Ni species and the radiolysis chemistry of water. The unique feature of this model is that the chemistry is coupled to the thermal hydraulics via the increase in the saturation temperature with the concentration of dissolved species. This has a profound effect on evaporative heat transfer within thick deposits, leading to conditions that explain the precipitation of LiBO{sub 2} and the possible formation of bonaccordite. The ...

International Nuclear Information System (INIS)

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

CERN Document Server

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

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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

Science.gov (United States)

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

CERN Document Server

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

International Nuclear Information System (INIS)

A new high strength titanium alloy has been developed primarily intended for fastener applications. While Ti-6Al-4V is used extensively as a fastener alloy in the aerospace industry, its shear strength allowable is limited to 655 MPa (95 ksi). For higher shear strength requirements, various steels or nickel-based alloys are used (up to 860 MPa (125 ksi)), but with the attendant density penalty. This new alloy is intended to provide the 860 MPa shear strength at roughly a 40% weight savings. After screening various alloy systems, the optimum chemistry has been selected as follows: Ti-6.0V-6.2Mo-5.7Fe-3Al. In light of its 125 ksi shear strength goal, the alloy has been designated TIMETAL reg-sign 125.

International Nuclear Information System (INIS)

Based on the X-ray crystallographic data of Tc-complexes for brain imaging agents, geometry optimizations in vacuo of TcO-BAT, TcO-MAMA, TcO-L, L-ECD, TcN-BAT and TcN-L, L-ECD complexes are performed with Hartree-Fock method and LANL 2 DZ basis set of G98W program. Then solvation free energy for each Tc-complex mentioned above in water is calculated by polarizable continuum method (PCM) including models of CPCM and IEFPCM. The results show that solvation free energy of Tc-complex is not only an indicator of lipophilicity but also one of the important factors that influence the brain uptake

British Library Electronic Table of Contents (United Kingdom)

Cu(II)-ATSM continues to be investigated, both in the laboratory and in the clinic, as a tumor hypoxia imaging agent. However, meaningful interpretation of these images requires a more complete understanding of the mechanism by which the tracer is trapped within the cell. Cu(II)-ATSM is a simple molecule and its biochemical interaction with cells is similarly simple, mainly based upon redox chemistry. Here we suggest that the trapping mechanism is biphasic. The first phase is a reduction/oxidation cycle involving thiols and molecular oxygen. This can be followed by interaction with proteins in the mitochondria leading to more permanent retention of the tracer. The uptake mechanism is complicated by this second step because of the changes in the cell resulting from hypoxia, such as an incre...

Energy Technology Data Exchange (ETDEWEB)

The Model of Acidification of Groundwaters in Catchments (MAGIC) was used to simulate the impact of acidifying deposition and future recovery at the Gaardsjoen Covered Catchment Experiment, at a number of hypothetical stations defined by statistical variation of the Gaardsjoen data and at 20 forest monitoring sites in Southern Sweden. For the future predictions a decrease of sulphur deposition of more than 70% was assumed. This assumption is based on a full implementation of the agreements made under the second sulphur protocol from 1994. The modelled impact of reduced deposition on the soils and on the runoff waters was discussed. To complement the discussion on long-term trends in future run-off chemistry, data from Gaardsjoen has been used to asses the risk for short-term acid runoff episodes 26 refs, 23 figs, 7 tabs

International Nuclear Information System (INIS)

Full text: In case of lanthanide (Ln) compounds the bis(trimethylsilyl)amido (btmsa) ligand is considered as a steric and electronic equivalent of the bis(trimethylsilyl)methanido (btmsm) group . Because of their extreme air and moisture sensitivity the chemistry of Ln(btmsm)_3 is very poor, whereas that of comparatively stable Ln(btmsa)_3 is much more developed. As we wish to extend the chemistry of Ln(btmsm)_3 and plan to derive and to parameterize the crystal field (CF) splitting patterns of the target molecules, it is recommended to study in advance the electronic structures of the corresponding compounds derived from Ln(btmsa)_3 . Beside (btmsa)_3 Nd(m-Cl)Li(THF)_3 a number of mono base adducts [(btmsa)_3 Ln.B] with sterically less demanding bases such as OPPh_3 , NCtBu or CNtBu have been described and were partly structurally characterized. Considering only the immediately coordinating atoms, the ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Results from a heavily fouled 19 tube C-E model boiler test to investigate the potential for egg crate corrosion in aggressively fouled AVT chemistry are reported. Substantial support plate and egg crate corrosion was produced in this test. Carbon steel drilled support plates exhibited extensive denting which resulted in flow hole ligament cracking. Corrosion of the carbon steel egg crate, through-wall at areas of tube contact, resulted in denting of the Alloy 600 heat transfer tubes. Corrosion performance of the 409 stainless steel egg crate was improved compared to the carbon steel egg crate although localized through-wall corrosion was noted. The results from the above test and previously reported tests were compared based on the following simplifying assumptions: maximum dent size and/or corrosion penetrations utilized, average bulk water chloride concentrations, pilling bedworth ratios, pot and model boilers data are equivalent, heat flux ...

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.

CERN Document Server

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

This report documents the results of a project funded by DoD's Strategic Environmental Research and Development Program (SERDP) on the science behind development of predictive models for soot emission from gas turbine engines. Measurements of soot formation were performed in laminar flat premixed flames and turbulent non-premixed jet flames at 1 atm pressure and in turbulent liquid spray flames under representative conditions for takeoff in a gas turbine engine. The laminar flames and open jet flames used both ethylene and a prevaporized JP-8 surrogate fuel composed of n-dodecane and m-xylene. The pressurized turbulent jet flame measurements used the JP-8 surrogate fuel and compared its combustion and sooting characteristics to a world-average JP-8 fuel sample. The pressurized jet flame measurements demonstrated that the surrogate was representative of JP-8, with a somewhat higher tendency to soot formation. The premixed flame measurements revealed that flame temperature has a ...

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)

The magnetic ordering temperature of some rare-earth-based heavy-fermion compounds is strongly pressure dependent and can be completely suppressed at a critical pressure, p_c, making way for novel correlated electron states close to this quantum critical point. We have studied the clean heavy-fermion antiferromagnets CePd_2Si_2 and CeIn_3 in a series of resistivity measurements at high pressures up to 3.2 GPa and down to temperatures in the mK region. In both materials, superconductivity appears in a small window of a few tenths of a GPa on either side of p_c. We present detailed measurements of the superconducting and magnetic temperature-pressure phase diagram, which indicate that superconductivity in these materials is enhanced, rather than suppressed, by the closeness to magnetic order. (author)

British Library Electronic Table of Contents (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

Gamma-aminobutyric acid type A receptor-associated protein (GABARAP) belongs to a family of small ubiquitin-like adaptor proteins implicated in intracellular vesicle trafficking and autophagy. We have used diffusion-ordered nuclear magnetic resonance spectroscopy to study the temperature and concentration dependence of the diffusion properties of GABARAP. Our data suggest the presence of distinct conformational states and provide support for self-association of GABARAP molecules. Assuming a monomer-dimer equilibrium, a temperature-dependent dissociation constant could be derived. Based on a temperature series of {sup 1}H{sup 15}N heteronuclear single quantum coherence nuclear magnetic resonance spectra, we propose residues potentially involved in GABARAP self-interaction. The possible biological significance of these observations is discussed with respect to alternative scenarios of oligomerization.

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.

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The primary goal of this project is to increase the availability and ease of access to critical data on the Mesaverde and Dakota tight gas reservoirs of the San Juan Basin. Secondary goals include tuning well log interpretations through integration of core, water chemistry and production analysis data to help identify bypassed pay zones; increased knowledge of permeability ratios and how they affect well drainage and thus infill drilling plans; improved time-depth correlations through regional mapping of sonic logs; and improved understanding of the variability of formation waters within the basin through spatial analysis of water chemistry data. The project will collect, integrate, and analyze a variety of petrophysical and well data concerning the Mesaverde and Dakota reservoirs of the San Juan Basin, with particular emphasis on data available in the areas defined as tight gas areas for purpose of FERC. A relational, geo-referenced database ...

International Nuclear Information System (INIS)

As part of a coordinated program, AECL is developing a set of tools to aid with the prediction and management of steam generator performance. Although stress corrosion cracking (of Alloy 800) has not been detected in any operating steam generator, for life management it is necessary to develop mechanistic models to predict the conditions under which stress corrosion cracking is plausible. Therefore, constant extension rate tests were carried out for Alloy 800 under various steam generator crevice chemistry conditions at applied potentials. These tests were designed to evaluate the stress corrosion cracking susceptibility of Alloy 800 under CANDU( steam generator operating conditions. Based on the experimental results, the recommended electrochemical corrosion potential/pH zone for Alloy 800 determined by electrochemical polarization measurements was verified with the respect of stress corrosion cracking susceptibility. The effects of lead ...

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Stress corrosion cracking tests in constant extension rate tensile (CERT) and constant load tensile (CLT) tests were conducted on Ni-xCr- 9Fe-yC in Ar, water, and a LiOH-boric acid solution. Cr and C improve the resistance of Ni-base alloys to IG cracking in both Ar and water at 360C. Since creep plays a role in IG cracking, one possible explanation for the role of the environment involves its effect on the creep. Experiments were conducted on the role of C in the deformation behavior and failure mode of Ni-16Cr-9Fe. Constant load experiments were conducted on Ni-16Cr-9Fe to determine if the CLT test is more aggressive than CERT. The electron backscattering technique in a SEM is being developed in order to extend the IG cracking studies to grain sizes typical of commercial alloys, 20-30 microns.

Energy Technology Data Exchange (ETDEWEB)

Silicon nitride based ceramics have attracted considerable attention as good candidates for structural applications due to their excellent mechanical properties including strength, hardness, fracture toughness, and high temperature strength. These properties are strongly influenced by grain size and morphology, and by the degree of crystallinity and chemistry of grain boundary phases. In this work, the microstructure of Si{sub 3}N{sub 4} densified with Nd{sub 2}O{sub 3}, Y{sub 2}O{sub 3} and Al{sub 2}O{sub 3} sintering additives was studied. Sintered samples were polished and plasma etched for microstructural analysis using scanning electron microscope. Quantitative evaluation of materials microstructure was accomplished using Quantikov software. Fracture toughness was measured by Vickers indentation method. The observed microstructure is typical of silicon nitride based materials and is characterized by high aspect ...

UK PubMed Central (United Kingdom)

CF-23“The biggest stumbling block for biological sciences turned out to be synthetic organic chemistry” – Elias A. Zerhouni, Former NIH Director in Chemical...Full Text Available

International Nuclear Information System (INIS)

The construction materials used in coolant systems in nuclear power plants become covered with oxide films as a result of exposure to the aqueous environment. The susceptibility of the materials to different forms of corrosion, as well as the extent of the incorporation of radioactive species on the surfaces of the primary circuit, are greatly influenced by the physical and chemical properties of these oxide films. The composition and characteristics of the oxide films in turn depend on the applied water chemistry. This work was undertaken in order to collect and evaluate the present views on the structure and behaviour of oxide films formed on iron- and nickel-based materials in aqueous environments. This survey should serve to recognise the areas in which more understanding and research effort is needed. The review begins with a discussion on the bulk oxides of iron, nickel and chromium, as well as their mixed oxides. In addition to bulk ...

International Nuclear Information System (INIS)

... Development Center, National Tsing-Hua University, Hsinchu, TW (China)

Energy Technology Data Exchange (ETDEWEB)

The discovery of nearly sixty molecules, often unstable or complexes, in the interstellar space has been one of the greatest surprises of contemporary astronomy. We may, indeed, be surprised that molecules having up to 13 atoms might be synthetized in an extremely diluted space and at a very low temperature. That these molecules are, most of all, organic molecules is another astonishing subject, at least for the non-specialist. The interstellar molecule formation is indeed well understood nowadays, at least for the simplest ones. This article takes stock of interstellar chemistry which is essentially an ionic chemistry very different from laboratory chemistry.

KoreaScience (Korea)

Full Text Available

International Nuclear Information System (INIS)

The application of photopolymerisation (UV) and electron beams (EB) technologies in radiation rapid cure (PRC) processing is discussed. The chemistry associated with such reactions and the mechanisms of the processes are treated. The occurrence of concurrent grafting to substrate with radiation curing of films is shown to be an advantage in enhancing the properties of certain finished products. The parameters influencing the optimum grafting yield in such PRC processes are discussed. In many applications, the chemistry of such processes combined with the machine, specially for EB is shown. (author).

Energy Technology Data Exchange (ETDEWEB)

The effect of various window layers for InP solar cells are studied. Window materials that have type 1 and type 2 alignment in the window/emitter interface are compared. All window materials that form a type 2 alignment with InP, such as Al{sub 0.20}In{sub 0.80}P, Ga{sub 0.20}In{sub 0.80}P, Al{sub 0.55}In{sub 0.45}As and Al{sub 0.60}In{sub 0.40}P, cause a high interface recombination velocity, which deteriorates the carrier collection. This recombination takes place due to the spatially indirect quantum well transition between the triangular quantum wells formed in the interface. ZnSe as a window layer material with type 1 alignment does not have this problem, but still decreased response in the short wavelength region is observed due to misfit dislocation induced trap sites. Future prospects for the window layer development for InP are discussed. The discussion is extended also to other III-V semiconductor based solar cell ...

Energy Technology Data Exchange (ETDEWEB)

The goal of the present work has been to clarify the influence of sulphate ions on the oxide films formed on stainless steel and Ni-based alloys in simulated crack chemistry conditions using different ex situ analytical techniques. The main observations of this work can be summarised as follows: The thickness of the films formed in simulated oxygen-free crack chemistry conditions during an exposure of circa 4 days varies roughly in the range 200..500 nm, which corresponds to observations reported in the literature [2]. The presence of 10000 ppb sulphate ions in simulated crack tip conditions seems to lead to a considerably lower thickness of the oxide films when compared to sulphate-free conditions. The presence of 10000 ppb sulphate ions leads also to considerable changes in the morphology of the oxide crystals on the material samples. In the absence of sulphate the outer oxide layer contains elongated round-edged ...

CERN Document Server

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

CERN Document Server

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

CERN Document Server

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

Energy Technology Data Exchange (ETDEWEB)

Properties of photoconductive ultraviolet detectors fabricated on ZnO films were presented. Highly c-axis oriented ZnO films were grown on glass substrates by pulsed laser deposition. Ultraviolet photodetectors were fabricated based on metal-semiconductor-metal planar structures. The photoresponsivity and the quantum efficiency are much higher in the ultraviolet range than in the visible range, and the peak values are around 360 nm. Photocurrent transients show that the detector has a large photocurrent with the peak value of 2.8 mA, and a slow photoresponse with a rise time of 5 min and a decay time of 7 min. The response curve of the detector is fitted well with exponential curve. The large photocurrent should result from the both effects of the accumulation of conduction electrons and the decrease of the barrier height between crystallites. The relaxation time constant {tau} obtained from the curve fitting represents the time accumulation ...

Energy Technology Data Exchange (ETDEWEB)

The goal of this project is to provide materials engineers, chemical engineers and plant operators with a software tool that will enable them to predict localized corrosion of process equipment including fabricated components as well as base alloys. For design and revamp purposes, the software predicts the occurrence of localized corrosion as a function of environment chemistry and assists the user in selecting the optimum alloy for a given environment. For the operation of existing plants, the software enables the users to predict the remaining life of equipment and help in scheduling maintenance activities. This project combined fundamental understanding of mechanisms of corrosion with focused experimental results to predict the corrosion of advanced, base or fabricated, alloys in real-world environments encountered in the chemical industry. At the heart of this approach is the development of models that predict the ...

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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

Science.gov (United States)

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

Energy Technology Data Exchange (ETDEWEB)

In this work the authors study the stabilization point of a lifted, reacting jet of nitrogen diluted methane in co-flowing air. The jet flow is acoustically forced so as to organize the large scale vortical structures. The validation of the numerical results is possible through a concurrent experimental investigation of a similar planar jet. The use of an acoustically forced planar jet allows for significant savings by the restriction of the computation to two dimensions; the model is otherwise applicable in three dimensions. The authors based their study on the following parameters, which are derived from the experimental setup: a jet width of 1.16 cm, a mean jet velocity of 0.8 m/s, and a coflow velocity of 0.1 m/s. The acoustical forcing is studied at frequencies of 7.5 MHz and 90 MHz, which have been established experimentally as being characteristic of two broad behavioral modes. The authors restrict themselves to five species and the single step, ...

International Nuclear Information System (INIS)

The paper discusses the safety problems connected with the conversion to dense storage of RBMK-1000 spent fuel in reactor cooling pools and independent storage facilities. Recourse to dense storage has been made for a number of reasons, among which are the absence of spent fuel shipments from the nuclear power plant site, prolongation of storage time and a partial change in storage conditions. Increasing the storage density per unit volume of the storage facility and turning to new technical procedures (as against the basic design) call for further investigation of safety problems. The safety assessment of the dense storage mode includes: (1) Selecting a list of initiating events for design basis and unforeseeable accidents; (2) Assessing dense storage safety under normal as well as design basis accident conditions; (3) Safety analysis and development of measures to compensate for unforeseen accidents. Based on the studies performed, suggestions have been advanced ...

International Nuclear Information System (INIS)

As part of our program in radiopharmaceutical chemistry we have prepared and evaluated a series of radioiodinated 1-alkyl-4-phenylpiperazines as potential brain-imaging agents. The compounds were chosen on the basis of their synthetic versatility, activation toward electrophilic substitution, and ease of purification. The intermediates 1-6 were readily obtained and converted to the corresponding radioiodinated products 7-12 in 76-91% isolated radiochemical yields. The tissue distribution in rats indicated that the 1-N-butyl derivative 9 possesses the best combination of brain uptake (0.28-0.35% ID X kg/g), retention, and selectivity (brain/blood greater than 20) over the 4-h evaluation period. A subsequent imaging and tissue distribution study in the dog using 131I-labeled 9 supported the results observed in the rat and suggested the potential of this agent as a brain-imaging agent.

DEFF Research Database (Denmark)

It is well established from experiments in premixed, laminar flames, jet-stirred reactors, flow reactors, and batch reactors that SO2 acts to catalyze hydrogen atom removal at stoichiometric and reducing conditions. However, the commonly accepted mechanism for radical removal, SO2 + H(+M) reversible arrow HOSO(+M), HOSO + H/OH reversible arrow SO2 + H-2/H2O, has been challenged by recent theoretical and experimental results. Based on ab initio calculations for key reactions, we update the kinetic model for this chemistry and re-examine the mechanism of fuel/SO2 interactions. We find that the interaction of SO, with the radical pool is more complex than previously assumed, involving HOSO and SO, as well as, at high temperatures also HSO, SH, and S. The revised mechanism with a high rate constant for H + SO2 recombination and with SO + H2O, rather than SO2 + H-2, as major products of the HOSO + H reaction is in agreement with a range of ...

Energy Technology Data Exchange (ETDEWEB)

The insulating oil used in a transformer is a critical component, as its service life is typically 20 years with possibly little or no maintenance. Partial discharges (PD), thermal overloads and static discharges continually subject the oil to chemical deterioration during its operating life. To ensure equipment reliability during service, it is important that the initial quality of the new insulating oil should meet the required acceptance specifications and preferably be pre-tested before use. Accelerated aging tests have been devised to determine the life expectancy of oil in service by using forced air or oxygen flow into the oil, the presence of a copper catalyst, and at elevated temperatures. The more important standards relating to transformer application are discussed and highlights of the more important aspects of the oxidation chemistry of hydrocarbons are included. The ultimate aim of the project is the formulation of better standard testing methods and ...

Science.gov (United States)

Internal hydrological processes in suburban watersheds and their effects on water quality warrant investigation. Instrument clusters (throughfall collectors, suction lysimeters, monitoring wells, and shallow and deep piezometers) were installed at several locations within three small (50 - 70 ha) watersheds (one forested, two with different degrees of suburban development) in the Croton Watershed, southeastern New York. Biweekly and storm samples were analyzed for base cations, selected anions, and DOC over a one-year period. The topographic index (TI) quantified landscape position; flowpath analyses determined degree of development at each cluster, using % impervious cover as the metric. Water quality degradation was observed in sites with medium and high TI values; no such effect was observed along the ridges, i.e., low TI values. At medium TI values, areas with more than 5% impervious had degraded water quality. At high TI values, the water ...

Energy Technology Data Exchange (ETDEWEB)

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

CERN Document Server

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

Wastenet

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

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.

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

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.

International Nuclear Information System (INIS)

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

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.

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 ...

CERN Document Server

Gravitational parity violation is a possibility motivated by particle physics, string theory and loop quantum gravity. One effect of it is amplitude birefringence of gravitational waves, whereby left and right circularly-polarized waves propagate at the same speed but with different amplitude evolution. Here we propose a test of this effect through coincident observations of gravitational waves and short gamma-ray bursts from binary mergers involving neutron stars. Such gravitational waves are highly left or right circularly-polarized due to the geometry of the merger. Using localization information from the gamma-ray burst, ground-based gravitational wave detectors can measure the distance to the source with reasonable accuracy. An electromagnetic determination of the redshift from an afterglow or host galaxy yields an independent measure of this distance. Gravitational parity violation would manifest itself as a discrepancy between these two ...

CERN Document Server

Cadmium telluride (CdTe) and cadmium zinc telluride (CdZnTe) have been regarded as promising semiconductor materials for hard X-ray and Gamma-ray detection. The high atomic number of the materials (Z_{Cd} =48, Z_{Te} =52) gives a high quantum efficiency in comparison with Si. The large band-gap energy (Eg ~ 1.5 eV) allows us to operate the detector at room temperature. However, a considerable amount of charge loss in these detectors produces a reduced energy resolution. This problem arises due to the low mobility and short lifetime of holes. Recently, significant improvements have been achieved to improve the spectral properties based on the advances in the production of crystals and in the design of electrodes. In this overview talk, we summarize (1) advantages and disadvantages of CdTe and CdZnTe semiconductor detectors and (2) technique for improving energy resolution and photopeak efficiencies. Applications of these imaging detectors in ...

International Nuclear Information System (INIS)

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 leads to a reduced ...

International Nuclear Information System (INIS)

New physical objects, ispalators based on free soap films, exhibit persistent flows of the soap solution in open and closed volumes in air with additions of gases of the C_8F_1_8 type (p = 20 Torr) at temperature drops on the films of the order of tenths and hundredths of kelvin. The flows move continuously at a velocity of 5 - 20 cm s"-"1. It is found that the parts of an inclined ispalator film show anomalous behaviour upon heating: their weight increases and they move downward over the film, whereas the unheated parts of the film move upward. Continuous radial vortex flows accompanied by the formation and washing of the regions of a thin black film are observed on circular films in closed volumes upon their uniform external cooling by evaporating water for 5 - 10 hours. The rapid flows make film ispalators the efficient heat carriers, which operate at small temperature drops (tenths and hundredths of kelvin) and surpass copper in the amount of thermal energy ...

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)

Anomalous fading of the feldspar infrared stimulated luminescence (IRSL) signal hampers possibilities of using feldspar IRSL to obtain burial ages for sediments beyond the dating range of quartz optically stimulated luminescence. Here, we propose a new approach to quantify anomalous fading of the feldspar IRSL signal over geological burial times based on laboratory fading experiments. The approach builds on the description of the quantum mechanical tunnelling process recently proposed by Huntley [2006. An explanation of the power-law decay of luminescence. J. Phys. Condensed Matter 18, 1359-1365]. We show that our methods allow the construction of un-faded and natural IRSL dose-response curves as well as anomalous fading rates in field saturation. The predicted level of field saturation closely approximates the measured saturation level for five samples from fluvial deposits (Lower Rhine) known to be older than 1 Ma. The modelled anomalous ...

Energy Technology Data Exchange (ETDEWEB)

Several works about annual meeting of the Brazilian Chemical Society are present.The search for medicinal chemistry, natural products, biological chemistry, and organic chemistry are shown. Conventional methods and some techniques are discussed and developments of new methods of determining are studied. The use of new chemical compounds, materials, structures and chemical analysis are shown.

Energy Technology Data Exchange (ETDEWEB)

This book of proceedings reports on 7 papers on combustion chemistry and formation of pollutants presented during the workshop organized by the `Combustion and Flames` section of the French society of thermal engineers. The chemistry of combustion is analyzed in various situations such as: turbojet engines, spark ignition engines, industrial burners, gas turbines etc... Numerical simulation is used to understand the physico-chemical processes involved in combustion, to describe the kinetics of oxidation, combustion and flame propagation, and to predict the formation of pollutants. (J.S.)

Science.gov (United States)

This 4.5-year project consisted of routine analytical support to DOE`s direct liquefaction process development effort (the Base Program), and an extensive effort to develop, demonstrate, and apply new analytical methods for the characterization of liquefaction process streams (the Participants Program). The objective of the Base Program was to support the on-going DOE direct coal liquefaction process development program. Feed, process, and product samples were used to assess process operations, product quality, and the effects of process variables, and to direct future testing. The primary objective of the Participants Program was to identify and demonstrate analytical methods for use in support of liquefaction process development, and in so doing, provide a bridge between process design, and development, and operation and analytical chemistry. To achieve this objective, novel analytical methods were evaluated for ...

International Nuclear Information System (INIS)

The diffusion coefficients (De) in bentonite were measured to understand and quantify the influence of groundwater chemistry such as ionic strength and to quantify the alteration of smectite mineralogical transformations. (author)

Science.gov (United States)

... the effect of MBH on steam generator crevice corrosion; model boiler test results show that MBH is effective against denting corrosion and Alloy 600 ...

International Nuclear Information System (INIS)

This paper describes the construction of PWR horizontal steam generator in Soviet Union, the water chemistry treatment for secondary side, the design of steam separator, the test of heat transfer characteristics and operation. (author).

Science.gov (United States)

The Liver Carcinogenesis Section uses the modern technologies of molecular biology, cell biology, protein chemistry and genetics to investigate the biochemical and genetic pathways involved in human liver cancer.

Energy Technology Data Exchange (ETDEWEB)

Analytical procedures are described for the determination of organic compounds, metals and radioisotopes in environmental materials, human tissues, urine, feces, and waste water.

Science.gov (United States)

... 1. Reeber, RR, Kusy, RP, Yu, N. and Chu, WK " Formation of a Solid Lubricant in Boron Carbide by Nitrogen Ion Implantation and Laser Annealing ...

UK PubMed Central (United Kingdom)

Following a brief overview of the terrestrial distribution of boron in rocks, soil, and water, the history of the discovery, early utilization, and geologic origin of borate minerals is summarized....Full Text Available

Medline Plus

... D., F.A.C.S.: Yeah, we frequently use chemistry as well as cytology when we're doing ...

International Nuclear Information System (INIS)

... 07-9 354 p. RADIATION CHEMISTRY, RADIOCHEMISTRY AND NUCLEAR

Science.gov (United States)

This article introduces a predictive capability for Hg retention in any Ca-based wet flue gas desulfurization (FGD) scrubber, given mercury (Hg) speciation at the FGD inlet, the flue gas composition, and the sulphur dioxide (SO2) capture efficiency. A preliminary statistical analysis of data from 17 full-scale wet FGDs connects flue gas compositions, the extents of Hg oxidation at FGD inlets, and Hg retention efficiencies. These connections clearly signal that solution chemistry within the FGD determines Hg retention. A more thorough analysis based on thermochemical equilibrium yields highly accurate predictions for total Hg retention with no parameter adjustments. For the most reliable data, the predictions were within measurement uncertainties for both limestone and Mg/lime systems operating in both forced and natural oxidation mode. With the U.S. Environmental Protection Agency's (EPA) Information Collection Request ...

Energy Technology Data Exchange (ETDEWEB)

We describe the synthesis and characterization of superparamagnetic iron oxide nanoparticle based heavy metal sorbents with various surface chemistries that demonstrate an excellent affinity for the separation of heavy metals in contaminated water systems (i.e. spiked Columbia river water). The magnetic nanoparticle sorbents are prepared from an easy to synthesize iron oxide precursor, followed by a simple, one-step ligand exchange technique to introduce the organic surface functionality of interest chosen to target either specific or broader classes of heavy metals. Functionalized superparamagnetic nanoparticles are excellent sorbent materials for the extraction of heavy metal contaminants from environmental and clinical samples since they are easily removed from the media once bound to the contaminant by simply applying a magnetic field. These engineered magnetic nanoparticle sorbents have an inherently high active surface area (often > ...

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

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

CERN Document Server

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

Energy Technology Data Exchange (ETDEWEB)

Information is given on the theoretical principles underlying the technology of producing fibrous plastics and wood slabs. An examination is made of the most important characteristics of the physics and chemistry of polymers, and the properties of synthetic polymers used in the wood processing industry. A description is given of the chemical composition and properties of wood and its components as well as of synthetic polymers made of cellulose. The book is designed for students of technical schools of the wood and pulp processing industry. 7 references, 14 figures, 1 table.

Wastenet

...The number of documents that contain the keyword absolute zero is: 2 EU Descartes Prizes for excellence in research and science communication EU Descartes Prizes ...for excellence in research and science communication -Chemistry Close to Absolute Zero - Descartes Prize 2000 - Winner- Ian Smith EU Descartes Prizes for excellence ...in research and science communication EU Descartes Prizes for excellence in research and science communication -Chemistry Close to Absolute Zero - Descartes Prize 2000 ...

International Nuclear Information System (INIS)

This volume of the monograph covers the following topics: activation analysis, non-activation interaction analysis (elastic scattering of charged particles, absorption and backscattering of beta radiation and photons, radionuclide X-ray fluorescence analysis, thermalization, scattering and absorption of neutrons, use of ionization caused by nuclear radiation, use of ionization by alpha or beta radiation for the measurement of pressure, density and flow rate of gases), and automation in radioanalytical chemistry. (P.A.).

Wastenet

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

Energy Technology Data Exchange (ETDEWEB)

Contents include: introduction; river systems; physical processes; chemical processes; estuaries and coastal zone; introduction; physical processes; chemical processes; the role of sediments; introduction; the anoxic layer; major-element chemistry; minor-element chemistry; the oxic-anoxic interface; assessment; introduction; analysis of sediments; modelling.

British Library Electronic Table of Contents (United Kingdom)

Ways of improving the water chemistry used in the turbine generator stator?s cooling systems at Russian nuclear power plants are considered. Data obtained from operational chemical monitoring of indicators characterizing the quality of cooling water in the turbine generator stator cooling systems of operating power units at nuclear power plants are presented.

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.

International Nuclear Information System (INIS)

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