CERN Document Server

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

CERN Document Server

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

Energy Technology Data Exchange (ETDEWEB)

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

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

Science.gov (United States)

Not Available

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 ...

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

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 ...

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.

Energy Technology Data Exchange (ETDEWEB)

Absorption with aqueous amine solvents is at present the most viable technology for CO{sub 2} capture. While this is a proven technology, efforts are ongoing to improve it in order to make it a more attractive technology for large scale use to reduce CO{sub 2} emissions. Finding solvents with better properties is one approach to improving the technology. In this thesis methods in computational chemistry are used to improve the understanding of the chemistry of CO{sub 2} absorption in amine-water systems. The work is also intended to provide models that can be used to predict the performance of new solvents. Such predictive models are intended to facilitate the screening for new solvents

CSIR Research Space (South Africa)

Full Text Available

CERN Document Server

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

CERN Document Server

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

International Nuclear Information System (INIS)

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

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 in tubing ...

Energy Technology Data Exchange (ETDEWEB)

The use of microwave in chemistry has known benefits over conventional heating methods, e.g. reduced reaction times, chemical yield improvement and the possibility if reducing or eliminating the use of organic solvents. We describe herein a procedure for the nitration of salicylaldehyde in water using a domestic microwave oven, which can be used as an experiment in the undergraduate chemistry laboratory. The experiment involves safe and rapid preparation and identification of the position isomers by thin layer chromatography and {sup 1}H NMR, or by their melting points. (author)

International Nuclear Information System (INIS)

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

Science.gov (United States)

The principles of modern pesticide residue chemistry were articulated in the 1950s. Early authors pointed out the advantages of systematizing and standardizing analytical methods for pesticides so that they could be widely practiced and the results could be reproduced from one laboratory to the next. The availability of improved methods has led to a much more complete understanding of pesticide behavior and fate in foods and the environment. Using methods based largely upon gas chromatography (GC) and high-performance liquid chromatography (HPLC) coupled increasingly with mass spectrometry (MS) and MS(n) as the detection tool, residues can be measured at parts per billion levels and below in a variety of food and environmental matrices. Development of efficient extraction and cleanup methods, techniques such as ELISA, efficient sample preparation techniques such as QuEChERS, and ...

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared

International Nuclear Information System (INIS)

Axial offset anomaly (AOA) is caused by the deposition of crud on the fuel cladding of a PWR. When significant levels of crud build up on the cladding, boron can accumulate in the pores of the crud as a concentrated solution or solid phase, and cause the flux depression. Numerous studies have been conducted on the primary water chemistry to reduce the amount of crud in the primary circuit to avoid radioactivity buildup and unexpected power transition in the plant. However, experiments on the crud are restricted in the laboratory because the crud is a highly radioactive material. The objective of this study is to develop a test method for simulating the deposition of crud in a nuclear power plant

Energy Technology Data Exchange (ETDEWEB)

This was a project to investigate the crystal chemistry of OH and H{sub 2}O substitution in silicate minerals by use of X-ray and neutron diffraction methods combined with IR spectroscopy and to interpret and generalize the results using an electrostatic model for these mineral structures. Using these data together with published H position data electrostatic parameters for H sites were calculated from a simple electrostatic model. The data were then used to refine the model for incorporation of H into the wadsleyite structure. This has led to recent work on the synthesis and characterization of hydrous wadsleyites.

International Nuclear Information System (INIS)

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

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 ...

International Nuclear Information System (INIS)

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

CERN Document Server

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

Energy Technology Data Exchange (ETDEWEB)

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

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 ...

CERN Document Server

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

International Nuclear Information System (INIS)

It is proposed to measure the spot sizes and polarization of #gamma# beams of future #gamma#e and #gamma##gamma# colliders detecting e"+e"- pairs produced as a result of interaction of high energy #gamma# quanta with density modulated and not modulated laser photons. The quantum electrodynamics cross sections, necessary numerical results as well as a short comparison of the proposed method with some other methods are given. (orig.).

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.

International Nuclear Information System (INIS)

Nuclear approaches for compositional characterization has bright application prospect in forensic perspective towards assessment of nature and origin of seized material. The macro and micro physical properties of nuclear materials can be specifically associated with a process or type of nuclear activity. Under the jurisdiction of nuclear analytical chemistry as well as nuclear forensics, thrust areas of scientific endeavor like determination of radioisotopes, isotopic and mass ratios, analysis for impurity contents, arriving at chemical forms/species and physical parameters play supporting evidence in forensic investigations. The analytical methods developed for this purposes can be used in international safeguards as well for nuclear forensics. Nuclear material seized in nuclear trafficking can be identified and a profile of the nuclear material can be created

CERN Document Server

Aims: The production of saturated organic molecules in hot cores and corinos is not well understood. The standard approach is to assume that, as temperatures heat up during star formation, methanol and other species evaporate from grain surfaces and undergo a warm gas-phase chemistry at 100 K or greater to produce species such as methyl formate, dimethyl ether, and others. But a series of laboratory results shows that protonated ions, typical precursors to final products in ion-molecule schemes, tend to fragment upon dissociative recombination with electrons rather than just ejecting a hydrogen atom. Moreover, the specific proposed reaction to produce protonated methyl formate is now known not to occur at all. Methods: We utilize a gas-grain chemical network to probe the chemistry of the relatively ignored stage of hot core evolution during which the protostar switches on and the temperature of the surrounding gas and dust ...

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

Energy Technology Data Exchange (ETDEWEB)

Abstract not provided

UK PubMed Central (United Kingdom)

The development of colorimetry and spectroscopy in the nineteenth century is described. An account is given of the application of their techniques to biological chemistry during that period.

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

The aim of this textbook is to present a relatively simple treatise of the theoretical principles and working methods of photochemistry, key photochemical reactions and important practical applications to enable the reader (a basic knowledge of chemistry is assumed) to work independently is this field. In accordance with the broad scale of this subject, which cuts across numerous disciplines, the topics treated range from photochemical, photophysical and spectroscopical fundamentals, through associated work procedures and methods of evaluation and the various types of reactions to photochemical processes in nature and applied technology. The photochemical properties and reactions of organic and inorganic compounds (preferably coordination compounds) are discussed in each chapter.

Energy Technology Data Exchange (ETDEWEB)

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

British Library Electronic Table of Contents (United Kingdom)

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

British Library Electronic Table of Contents (United Kingdom)

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

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

CERN Document Server

A simple and efficient method for characterization of multidimensional Gaussian states is suggested and experimentally demonstrated. Our scheme shows analogies with tomography of finite dimensional quantum states, with the covariance matrix playing the role of the density matrix and homodyne detection providing Stern-Gerlach-like projections. The major difference stems from a different character of relevant noises: while the statistics of Stern-Gerlach-like measurements is governed by binomial statistics, the detection of quadrature variances correspond to chi-square statistics. For Gaussian and near Gaussian states the suggested method provides, compared to standard tomography techniques, more stable and reliable reconstructions. In addition, by putting together reconstruction methods for Gaussian and arbitrary states, we obtain a tool to detect the non-Gaussian character of optical signals.

Energy Technology Data Exchange (ETDEWEB)

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.

Energy Technology Data Exchange (ETDEWEB)

This progress report covers period from Nov. 1, 1989 to Aug. 31, 1990. The long term objective was to develop receptor-binding radiotracers for SPECT or PET imaging of CNS or peripheral nervous system. The specific chemistry aims, as understood on the basis of past findings, were: to synthesize and develop a more polar analogs of 4IQNB, possessing similar binding characteristics but eliminated more rapidly from the surrounding tissues and the target organ, to design a method of introducing a technetium chelating group onto a molecule or cholinergic agent without drastic lowering of its apparent affinity, to synthesize and develop radiotracers based on m-AChR antagonists selective for one of the subtypes of the receptor. The chemistry service aims were to prepare and characterize (R,R)- and (R,S)-4IQNB and derivatives, to provide the triazene intermediate to other investigators, and to provide ({sup 123}I)4IQNB for in vivo ...

Energy Technology Data Exchange (ETDEWEB)

Monitoring brine chemistry to determine the extent of potential adverse reactions has been simplified by the development of a field-brine test kit and a series of nomographs. Results of the kit analyses serve as input to the nomographs, which provide a graphic means of determining the scaling tendency (Saturation Index value) of a brine. Brines that do not tend to form scale may be corrosive. Saturation Index values were correlated with various processes using data from geopressured wells in the Gulf Coast area. Control of scale in surface equipment with chemical inhibitors has been successful. Numerous laboratory simulations of inhibitor squeeze operations were completed using core material with calcite present and absent. The corresponding wells were squeezed with phosphorous-containing inhibitors, and the flowback of brine was monitored for phosphorous concentrations vs time. A new procedure to measure the concentration of phosphorous-containing inhibitors down ...

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...

Energy Technology Data Exchange (ETDEWEB)

This lectures aim at giving graduate students an introduction to a working knowledge of path integral methods in a wide variety of fields in physics. Consequently, the the lecture notes are organized in three main parts dealing with non-relativistic quantum mechanics, many-body physics and field theory. In the first part the basic concepts of path integrals are developed in the usual heuristic, non-mathematical way followed by the standard examples of quadratic Lagrangians for which the path integrals can be solved exactly. Applications include semi-classical expansions, scattering problems and the representation of Green functions as path integrals. In the last chapter of this part it is shown how (euclidean) path integrals can be treated numerically by Monte-Carlo methods with a program for the anharmonic oscillator as an explicit example. The second part deals with the application of path integrals in statistical ...

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.

CERN Document Server

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

International Nuclear Information System (INIS)

Iron concentration control in feedwater is one of the most important subjects in water chemistry. Especially for the BWR plants without 100% flow volume of hollow fiber filter (HFF), rather high iron concentration in feedwater is one of the big issues as this causes relatively high radiation dose rate in drywell area. Cation exchange resins especially used in the plants with partial flow rate of HFF are expected to have the important role of capturing iron in feedwater. For this purpose, we have investigated the effective method for using iron absorption characteristics of cation exchange resin. The Cation-Over Layer method (COL) in condensate demineralizers (CD) effectively utilizes these characteristics. In order to demonstrate a performance of the cation overlay method, we had applied this method for three CD vessels at Fukushima Daiichi NPP Unit 3 for testing purpose. The result ...

Energy Technology Data Exchange (ETDEWEB)

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

Science.gov (United States)

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

Science.gov (United States)

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 ...

CERN Document Server

We present a description of nuclear spontaneous fission, and generally of quantum tunneling, in terms of instantons - periodic imaginary-time solutions to time-dependent mean-field equations - that allows for a comparison with more familiar and used generator coordinate (GCM) and adiabatic time-dependent Hartree-Fock (ATDHF) methods. It is shown that the action functional whose value for the instanton is the quasiclassical estimate of the decay exponent fulfils the minimum principle when additional constraints are imposed on trial fission paths. In analogy with mechanics, these are conditions of energy conservation and the velocity-momentum relations. In the adiabatic limit the instanton method reduces to the time-odd ATDHF equation, with collective mass including the time-odd Thouless-Valatin term, while the GCM mass completely ignores velocity-momentum relations. This implies that GCM inertia generally overestimates ...

International Nuclear Information System (INIS)

The methods of superconducting device fabrication by lithography and multilevel processing usually require a number of processing steps with lithographic resolution and alignment adequate for the scale of the device be fabricated. As an alternative, the focused ion beam (FIB) microscope is increasingly being used directly to fabricate devices. A major advantage of using a FIB compared to other lithography methods is its flexibility and high resolution. It allows in-situ, milling (#propor to#5 nm at a beam current of 1 pA) to a variety of depths, and imaging (2 nm) of the sample. In this paper we describe our development of junction fabrication techniques using the FIB and their application in creating a range of potential sensor devices and quantum electronics applications. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

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)

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

Science.gov (United States)

The objective of this research was to convert coal into a soluble substance under mild conditions. The strategy involved two steps, first to breakdown the macromolecular network of coal, and second to add hydrogen catalytically. We investigated different basic reagents that could, in priciple, break down coal's structure and alkylation strategies that might enhance its solubility. We examined O- and C-alkylation, the importance of the strength of the base, the character of the added alkyl groups and other reaction parameters. This work provided new information concerning the way in which hydrogen bonding, polarization interactions between aromatic structures and covalent bonding could be disrupted and solubility enhanced. The objective of our research was to explore new organochromium chemistry that might be feasible for the hydrogenation of coal under mild conditions.

International Nuclear Information System (INIS)

We present a fully automated method for three-dimensional (3D) elemental analysis demonstrated using a ceramic sample of chemistry (Ca)MgTiO_x. The specimen is serially sectioned by a focused ion beam (FIB) microscope, and energy-dispersive X-ray spectrometry (EDXS) is used for elemental analysis of each cross-section created. A 3D elemental model is reconstructed from the stack of two-dimensional (2D) data. This work concentrates on issues arising from process automation, the large sample volume of approximately 17x17x10 #mu#m"3, and the insulating nature of the specimen. A new routine for post-acquisition data correction of different drift effects is demonstrated. Furthermore, it is shown that EDXS data may be erroneous for specimens containing voids, and that back-scattered electron images have to be used to correct for these errors.

ScienceCinema

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

International Nuclear Information System (INIS)

1977. USSR Beloshitsky, VV Kumakhov, MA Wedell, R. Moskovskij

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)

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

British Library Electronic Table of Contents (United Kingdom)

[image omitted

CERN Document Server

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

CERN Document Server

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

Energy Technology Data Exchange (ETDEWEB)

This report is the 1992 annual progress report for the Energy Conversion and Storage Program, a part of the Energy and Environment Division of the Lawrence Berkeley Laboratory. Work described falls into three broad areas: electrochemistry; chemical applications; and materials applications. The Energy Conversion and Storage Program applies principles of chemistry and materials science to solve problems in several areas: (1) production of new synthetic fuels, (2) development of high-performance rechargeable batteries and fuel cells, (3) development of advanced thermochemical processes for energy conversion, (4) characterization of complex chemical processes and chemical species, and (5) study and application of novel materials for energy conversion and transmission. Projects focus on transport-process principles, chemical kinetics, thermodynamics, separation processes, organic and physical chemistry, novel materials, and advanced ...

Energy Technology Data Exchange (ETDEWEB)

The Energy Conversion and Storage Program applies chemistry and materials science principles to solve problems in (1) production of new synthetic fuels, (2) development of high-performance rechargeable batteries and fuel cells, (3) development of advanced thermochemical processes for energy conversion, (4) characterization of complex chemical processes, and (5) application of novel materials for energy conversion and transmission. Projects focus on transport-process principles, chemical kinetics, thermodynamics, separation processes, organic and physical chemistry, novel materials, and advanced methods of analysis. Electrochemistry research aims to develop advanced power systems for electric vehicle and stationary energy storage applications. Topics include identification of new electrochemical couples for advanced rechargeable batteries, improvements in battery and fuel-cell materials, and the establishment of engineering ...

CERN Document Server

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

CERN Document Server

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

Science.gov (United States)

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

CERN Document Server

Positronium is an ideal system for the research of the bound state QED. New precise measurement of orthopositronium decay rate has been performed with an accuracy of 150 ppm, and the result combined with the last three is 7.0401 +- 0.0007 mu s^-1. It is the first result to validate the 2nd order correction. The Hyper Fine Splitting of positronium is sensitive to the higher order corrections of the QED prediction and also to the new physics beyond Standard Model via the quantum oscillation into virtual photon. The discrepancy of 3.5 sigma is found recently between the measured values and the QED prediction (O(alpha^3)). It might be due to the contribution of the new physics or the systematic problems in the previous measurements: (non-thermalized Ps and non-uniformity of the magnetic field). We propose new methods to measure HFS precisely without the these uncertainties.

Energy Technology Data Exchange (ETDEWEB)

A theoretical analysis of formation and symmetry transformations is presented for Wigner molecules with N = 2,..., 20 electrons confined in quantum dots at high magnetic fields. Using the unrestricted Hartree-Fock method with the multicentre Gaussian basis, we have found that Wigner molecules with N {>=} 6 abruptly change their shape and symmetry with an associated jump in the first derivative of the ground-state energy, i.e. they undergo phase transitions. In particular, the phases of the Wigner molecules obtained just after emerging from the maximum-density droplet (MDD) phase possess a different symmetry from that formed at a high magnetic field. We show that the properties of the electron-electron interaction energy demonstrate very well both the breakdown of the MDD and the quasi-classical character of the Wigner molecule in the high magnetic field. Possible mechanisms of the MDD decay are discussed.

International Nuclear Information System (INIS)

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

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

Energy Technology Data Exchange (ETDEWEB)

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)

... 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

Energy Technology Data Exchange (ETDEWEB)

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, demonstate, 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 develpment, and in so doing, provide a bridge between process design, development, and operation and analytical chemistry. To achieve this direct coal liquefaction-derived materials. CONSOL made an evaluation ...

Energy Technology Data Exchange (ETDEWEB)

This work reports an alternative methodology for the linear attenuation coefficient determination ({mu} {rho}) of irregular form samples, in such a way that is not necessary to consider the sample thickness. With this methodology, indigenous archaeological ceramics fragments from the region of Londrina, north of Parana, were studied. These ceramics fragments belong to the Kaingaing and Tupiguarani traditions. The equation for the {mu} {rho} determination employing the two mean method was obtained and it was used for {mu} {rho} determination by the gamma ray beam attenuation if immersed ceramics, by turns, in two different means with known linear attenuation coefficient. By the other side, {mu} theoretical value was determined with the XCOM computer code. This code uses as input the ceramics chemistry composition and provides an energy versus mass attenuation coefficient table. In order to validate the two mean method ...

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).

Science.gov (United States)

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

CERN Document Server

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

Energy Technology Data Exchange (ETDEWEB)

In June 1997, the US Navy plans to close its Naval Air Facility on Sand Island and transfer the atoll to the US Fish and Wildlife Service for use as a National Wildlife Refuge. Midway provides breeding and feeding habitat for migratory seabirds, terrestrial and marine mammals, sea turtles and other reptiles, and a variety of reef fishes and invertebrates. As part of the base closure and transfer process, 36 sites of potential environmental concern were identified on Sand and Eastern islands. These sites include landfills and uncontrolled disposal areas, hazardous materials storage areas, abandoned transformers, sewer outfalls, and other potential hazardous waste sites. Potential contaminants include pesticides, PAHs, PCBs, and heavy metals. A screening ecological risk assessment was performed at each site with a goal of determining whether contaminants could pose any current or future risks to protected migratory bird or marine mammal wildlife species. Specific exposure pathways ...

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) is used. However, for ...

British Library Electronic Table of Contents (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

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

UK PubMed Central (United Kingdom)

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

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.)

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

UK PubMed Central (United Kingdom)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

Science.gov (United States)

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

CERN Document Server

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

International Nuclear Information System (INIS)

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

CERN Document Server

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

CERN Document Server

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

Energy Technology Data Exchange (ETDEWEB)

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.

Energy Technology Data Exchange (ETDEWEB)

Inexpensive activated carbon assembly(ACA) was prepared with glass fabrics coated by 10 wt%, 25 wt%, 50 wt% phenolic resin solution, followed by activation at 700{sup o} C under N{sub 2} atmosphere and subsequent surface modification with N{sub 2}, NH{sub 3}, CO{sub 2} gas, respectively. The conversion chemistry of resin to carbon was analyzed by using FT-IR, TGA, SEM, XPS, and the SO{sub 2} adsorption characteristics of the ACA were compared to that of commercial activated carbon fabrics(ACF). The ACA modified by NH{sub 3} showed the best SO{sub 2} adsorption behavior due to the presence of basic functional groups such as amine on the surface, confirmed by XPS. The ACA modified by NH{sub 3} displayed relatively high adsorption capacity of 116.5 mg/g carbon, which is corresponding to 75% adsorption of the commercial ACF(153.4 mg/g) treated with the same method. 14 refs., 6 figs., 2 tabs.

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 ...

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 ratio.-Si{sub 3}N{sub 4} ...

International Nuclear Information System (INIS)

The development of tough #alpha#-SiAlON with elongated grains in the last five years is summarized. This progress has been guided by the improved understanding of phase relations and nucleation/growth kinetics in SiAlON ceramics. Although most #alpha#-SiAlON compositions can be processed to contain some elongated grains, their microstructure, fracture toughness and R-curve behavior vary greatly. Such variability is due to the different phase stability of #alpha#-SiAlONs and the varying physical chemistry of the competing phases, including the transient/residual liquid. For this reason, microstructure control of #alpha#-SiAlON must pay close attention to the composition, starting powder and heating schedule. Seeding with single crystals of an appropriate #alpha#-SiAlON composition provides an attractive alternative that simplifies the task of microstructure control, since such seeds are thermodynamically stable and they completely dominate the nucleation statistics. ...

International Nuclear Information System (INIS)

Rapid corrosion of PWR steam generator carbon steel support structures and consequential denting of steam generator tubes led to investigation of alternative support designs and materials. In recent designs of steam generators the carbon steel drilled hole tube support plate has been replaced by one of quatrefoil or trefoil shape to minimize the contact area. These plates are now made of more corrosion resistant chromium steel (approx. 12%Cr) to ensure that they are less vulnerable to attack in the event of adverse boiler water chemistry. This study was initiated to examine the corrosion behavior of a range of chromium steels in the acid chloride environments characteristic of tube/support plate crevices under adverse boiler water conditions. Objectives of the study were to: 1) determine the relative susceptibility of candidate tube support plate steels to acid chloride corrosion; 2) investigate the corrosion product morphology and its relationship to the corrosion ...

Science.gov (United States)

The objectives of this project are to support the DOE direct coal liquefaction process development program and to improve the useful application of analytical chemistry to direct coal liquefaction process development. Independent analyses by well-established methods will be obtained of samples produced in direct coal liquefaction processes under evaluation by DOE. Additionally, analytical instruments and techniques which are currently underutilized for the purpose of examining coal-derived samples will be evaluated. The data obtained from this study will be used to help guide current process development and to develop an improved data base on coal and coal liquids properties. A sample bank will be established and maintained for use in this project and will be available for use by other researchers. The reactivity of the non-distillable resids toward hydrocracking at liquefaction conditions (i.e., resid reactivity) will be examined. From the ...

Energy Technology Data Exchange (ETDEWEB)

Three phosphate based ceramics were studied for the immobilization of tri- and tetravalent actinides: britholites Ca{sub 9}Nd{sub 1-x}An{sub x} {sup IV}(PO{sub 4}){sub 5-x}(SiO{sub 4}){sub 1+x}F{sub 2}, monazites/brabantites Ln{sub 1-2x}{sup III}Ca{sub x}An{sub x}{sup IV}PO{sub 4} and Thorium Phosphate Diphosphate (TPD) Th{sub 4-x}An{sub x}{sup IV}(PO{sub 4}){sub 4}P{sub 2}O{sub 7}. For each material, the incorporation of Th, U(IV), or Ce(IV) in the structure was examined. This work was the early beginning of the incorporation of {sup 239}Pu and/or {sup 238}Pu in order to evaluate the effects of {alpha} -decay on these three crystallographic structures. The syntheses were carried out using dry chemistry methods, involving mechanical grinding then heating treatment (1100 deg C {<=} {theta} {<=} 1400 deg C). For britholites, we showed that the incorporation of thorium was complete for weight loading lower than 20 wt.% through the ...

CERN Document Server

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

CERN Document Server

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

Science.gov (United States)

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

The high resolution spectrum of the parahydrogen Q{sub 3}(0) transition at 11758 cm{sup -1} has allowed specific quantum state assignment of the ten lines which compose this transition. The transition cannot occur unless a dipole moment is induced in the parahydrogen by an external field. The quadrupole field of an impurity o-H{sub 2} molecule provides this field, and the transition occurs in the orientationally dependent field of the orthohydrogen molecule. Transitions induced by the quadrupolar field of the J=1 H{sub 2} in the nearest neighbor as well as in the next nearest neighbor shells have been observed. By lowering the impurity orthohydrogen concentration, the authors have observed lines with linewidths of approximately 15 MHz hwhm with a Ti:Sapphire laser having a sensitivity of 3x10{sup -5} ({Delta}I/I) using the toneburst method. Additionally, the second vibrational overtone of the impurity orthohydrogen molecule (Q{sub 3}(1)) has ...

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 ...

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

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)

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 based maintenance ...

Science.gov (United States)

Aug 1, 1972 ... The principles of radionuclide excitation of X-ray fluorescence radiation and its application in analytic chemistry are discussed.

Energy Technology Data Exchange (ETDEWEB)

Ozone plays a critical role in both the chemistry and radiation balance of the troposphere. Understanding the factors controlling tropospheric ozone levels is critical to our understanding of a variety of issues in global chemistry and climate change. Chlorine atoms have the potential to contribute significantly to the ozone balance in the free troposphere. They can react directly with ozone or alternately, with organics and may actually lead to the formation of ozone in the presence of sufficient NO. Reactions of alkali halides in sea salt particles are a potential source of atomic chlorine, hence reactions of these alkali halides, especially those producing precursors to atomic chlorine, are of great interest. Finally, the mechanisms, intermediates and products of the Cl-biogenic reactions are unknown; these could serve as unique markers of chlorine atom chemistry in the troposphere, and hence are important to define.

Energy Technology Data Exchange (ETDEWEB)

The nitric oxide molecule is being studied in order to understand the energetics and chemistry of initiation and detonation in liquid NO at the molecular level. An overview is presented of the work being done. (DLC)

UK PubMed Central (United Kingdom)

Recent field observations have shown that the atmospheric plumes of quiescently degassing volcanoes are chemically very active, pointing to the role of chemical cycles involving halogen species and...Full Text Available

Science.gov (United States)

The NASA Langley Distributed Active Archive Center archives and distributes data relating to Radiation Budget, Clouds, Aerosols, and Troposheric Chemistry.

Science.gov (United States)

... with dynamic gridding capability to account for material ablation, as well as the addition of energy sources and heat transfer augmentation due to ...

International Nuclear Information System (INIS)

The paper describes the production of highly enriched isotopes of uranium, plutonium, americium and curium by electromagnetic separation for scientific and applied researches in physics, chemistry, geology, medicine, biology and other fields. Using the equipment described, the isotopes are produced in quantities sufficient to set up nuclear physical experiments, to produce nuclear reference materials and standard sources for calibration of radiometrical and mass spectrometrical equipment, in radionuclide metrology, etc. For the following isotopes the indicated degrees of isotopic enrichment were achieved: "2"3"3U-99.97%; "2"3"5U-99.97%; "2"3"6U-98.0%; "2"3"8U-99.997%; "2"3"8Pu-99.6%; "2"3"9Pu-99.9977%; "2"4"0Pu-99.9-100%; "2"4"1Pu-96.998%; "2"4"2Pu-97.8-99.96%; "2"4"4Pu-96.7%; "2"4"1Am-99.6%; "2"4"2"mAm-73.6%; "2"4"3Am-99.2-99.94%; "2"4"3Cm-99.99%; "2"4"5Cm-99.998%; "2"4"6Cm-99.8%; "2"4"7Cm-90%, "2"4"8Cm-97%. Methods for preparing layers of ...

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 ...

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 ...

Energy Technology Data Exchange (ETDEWEB)

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

CERN Document Server

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

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.

Science.gov (United States)

There are about fifty SET domain protein methyltransferases (PMTs) in the human genome, that transfer a methyl group from S-adenosyl-L-methionine (SAM) to substrate lysines on histone tails or other peptides. A number of structures in complex with cofactor, substrate, or inhibitors revealed the mechanisms of substrate recognition, methylation state specificity, and chemical inhibition. Based on these structures, we review the structural chemistry of SET domain PMTs, and propose general concepts towards the development of selective inhibitors.

Energy Technology Data Exchange (ETDEWEB)

The pace of development and fielding of electric vehicles is briefly described and the principal advanced battery chemistries expected to be used in the EV application are identified as Ni/MH in the near term and Li-ion/Li-polymer in the intermediate to long term. The status of recycling process development is reviewed for each of the two chemistries and future research needs are discussed.

Science.gov (United States)

Organic molecules are a significant and highly varied component of atmospheric aerosols. Measurement of aerosol composition and improvements in our understanding of the complex chemistry involved in their formation and aging are being aided by innovations in soft ionization aerosol MS. (To listen to a podcast about this feature, please go to the Analytical Chemistry multimedia page at pubs.acs.org/page/ancham/audio/index.html.). PMID:21275431

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.

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)

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

CERN Document Server

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

Science.gov (United States)

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

Energy Technology Data Exchange (ETDEWEB)

A necessary condition for crevice corrosion is that a crevice former create a sufficiently tight, restricted geometry on the metal surface to support the development of critical crevice chemistry. Crevice corrosion is affected by the crevice geometry (tightness) and the properties of the crevice former. The objective of this study is to determine the effect of the crevice former material on the evolution of localized corrosion-damage. A standard crevice corrosion test method is modified by (a) the use of ceramic, metal or polymer materials as the crevice former and (b) the variation of size and shape of the crevice. This study focuses on the post initiation stage of crevice corrosion and addresses factors that may limit the initiation of localized corrosion and also slow or stop the continued propagation of corrosion. Controlled crevice corrosion tests are performed under aggressive, accelerated conditions on Ni-Cr-Mo alloy C-22 and other ...

International Nuclear Information System (INIS)

PWR plants have made efforts to maintain the long-term integrity of the steam generators (SG) by reducing the amount of corrosion products entering the secondary side of the SG. Iron entered the SG can cause several problems: degraded heat conductivity of the SG tubes in locations where iron is deposited, water level oscillations in the SG due to tube support plate hole blockage, and initiation and propagation of inter-granular attacks (IGA) and stress corrosion cracking (SCC). One of the most effective measures, high all-volatile treatment (AVT) chemistry has been applied to actual plants to reduce the flow-accelerated corrosion (FAC) coming from the carbon steel piping. The secondary water chemistry at Genkai NPS 1 and 2 changed, from the Low AVT chemistry to the High AVT chemistry, in November 2006. In this paper, we will describe the results of experiments in applying the use of High pH water in the ...

International Nuclear Information System (INIS)

Two plasma chemistries, i.e., CH_4/H_2/Ar and Cl_2/Ar, were compared for the etching of InGaP, AlInP, and AlGaP under inductively coupled plasma (ICP) conditions. While the etching with CH_4/H_2/Ar discharges appears to be ion driven, Cl_2/Ar discharges showed an additional strong chemical enhancement. The highest etch rate (#approx#1 #mu#m/min) for InGaP was achieved at high ICP source power (#>=#750 W) with the Cl_2/Ar chemistry. Cl_2/Ar discharges provided very smooth surfaces in all three materials with root-mean-square roughness measured by atomic force microscopy around 2 nm. This result may be due to the efficient ion-assisted product desorption in this chemistry. The etched near-surface region of InGaP (#approx#100 Angstrom) with Cl_2/Ar maintained almost the same stoichiometry as that of the unetched control. By contrast, the CH_4/H_2/Ar plasma chemistry produced somewhat rougher surfaces ...

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)

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

Science.gov (United States)

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

CERN Document Server

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

International Nuclear Information System (INIS)

... Energy Agency, Quantum Beam Science Directorate, Sayo, Hyogo (Japan)

Science.gov (United States)

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

Energy Technology Data Exchange (ETDEWEB)

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

CERN Document Server

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

CERN Document Server

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

CERN Document Server

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

Science.gov (United States)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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